Peak 6025 from nnoeabs.peaks (8.14, 8.14, 122.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H VAL 6 + H VAL 6 OK 100 100 - 100 H PHE 79 + H PHE 79 OK 54 54 - 100 Peak 6027 from nnoeabs.peaks (4.33, 8.14, 122.35 ppm; 2.89 A): 1 out of 2 assignments used, quality = 0.99: * HA THR 5 + H VAL 6 OK 99 100 100 99 2.2-2.7 35=97, 34/4.1=31...(7) HA ALA 3 - H VAL 6 far 0 100 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 6028 from nnoeabs.peaks (4.19, 8.14, 122.35 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 5 + H VAL 6 OK 100 100 100 100 2.1-3.8 40=100, 37/6027=86...(5) HA ALA 62 - H VAL 6 far 0 100 0 - 8.1-12.0 HB THR 74 - H PHE 79 far 0 31 0 - 8.3-8.5 HA GLN 72 - H PHE 79 far 0 59 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 6029 from nnoeabs.peaks (1.13, 8.14, 122.35 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 5 + H VAL 6 OK 100 100 100 100 2.1-4.0 4.1=100 HD3 LYS 98 - H PHE 79 far 0 52 0 - 6.9-8.5 HB2 LYS 98 - H PHE 79 far 0 58 0 - 8.8-10.3 HB VAL 14 - H PHE 79 far 0 59 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 6030 from nnoeabs.peaks (4.10, 8.14, 122.35 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 6 + H VAL 6 OK 100 100 100 100 2.7-2.9 3.0=100 HB THR 8 - H VAL 6 far 0 95 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 6031 from nnoeabs.peaks (1.99, 8.14, 122.35 ppm; 3.41 A increased from 3.21 A): 1 out of 2 assignments used, quality = 0.99: * HB VAL 6 + H VAL 6 OK 99 100 100 99 2.6-3.4 52=90, 2.1/6032=57...(8) HB2 GLN 72 - H PHE 79 far 0 62 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 6032 from nnoeabs.peaks (0.84, 8.14, 122.35 ppm; 3.20 A increased from 3.01 A): 2 out of 7 assignments used, quality = 0.98: * QG1 VAL 6 + H VAL 6 OK 98 100 100 98 1.9-3.1 2.1/6031=58, 4.0=51...(12) QG2 VAL 6 + H VAL 6 OK 24 100 25 95 3.7-3.9 2.1/6031=58, 4.0=51...(9) HD2 LYS 98 - H PHE 79 far 0 48 0 - 6.4-9.0 QG2 VAL 102 - H PHE 79 far 0 62 0 - 7.0-7.2 QG2 ILE 23 - H PHE 79 far 0 29 0 - 7.0-7.3 QD1 LEU 12 - H PHE 79 far 0 62 0 - 8.7-9.1 HB2 LYS 84 - H PHE 79 far 0 62 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 6033 from nnoeabs.peaks (0.84, 8.14, 122.35 ppm; 3.20 A increased from 3.01 A): 2 out of 7 assignments used, quality = 0.98: QG1 VAL 6 + H VAL 6 OK 98 100 100 98 1.9-3.1 2.1/6031=58, 4.0=51...(12) * QG2 VAL 6 + H VAL 6 OK 24 100 25 95 3.7-3.9 2.1/6031=58, 4.0=51...(9) HD2 LYS 98 - H PHE 79 far 0 42 0 - 6.4-9.0 QG2 VAL 102 - H PHE 79 far 0 62 0 - 7.0-7.2 QG2 ILE 23 - H PHE 79 far 0 35 0 - 7.0-7.3 QD1 LEU 12 - H PHE 79 far 0 61 0 - 8.7-9.1 HB2 LYS 84 - H PHE 79 far 0 62 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 6035 from nnoeabs.peaks (8.47, 8.47, 124.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 7 + H HIS 7 OK 100 100 - 100 Peak 6037 from nnoeabs.peaks (4.10, 8.47, 124.69 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 6 + H HIS 7 OK 100 100 100 100 2.1-3.6 3.6=100 HB THR 8 - H HIS 7 far 0 95 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 6042 from nnoeabs.peaks (3.10, 8.47, 124.69 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + H HIS 7 OK 100 100 100 100 2.6-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 6043 from nnoeabs.peaks (3.04, 8.47, 124.69 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 7 + H HIS 7 OK 100 100 100 100 2.3-3.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 6047 from nnoeabs.peaks (8.07, 8.07, 118.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 8 + H THR 8 OK 100 100 - 100 Peak 6049 from nnoeabs.peaks (4.68, 8.07, 118.01 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 7 + H THR 8 OK 100 100 100 100 2.8-3.3 8675=100, 3.0/6050=28...(6) Violated in 1 structures by 0.01 A. Peak 6050 from nnoeabs.peaks (3.10, 8.07, 118.01 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + H THR 8 OK 100 100 100 100 3.7-4.5 4.6=90, 3.0/8675=88...(6) Violated in 1 structures by 0.00 A. Peak 6051 from nnoeabs.peaks (3.04, 8.07, 118.01 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 7 + H THR 8 OK 100 100 100 100 4.0-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 6054 from nnoeabs.peaks (4.59, 8.07, 118.01 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 8 + H THR 8 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6055 from nnoeabs.peaks (4.08, 8.07, 118.01 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HB THR 8 + H THR 8 OK 100 100 100 100 2.6-2.9 96=100, ~94=39, ~102=39...(6) HA VAL 6 + H THR 8 OK 48 95 70 72 3.4-4.9 8667/4.6=30...(5) Violated in 0 structures by 0.00 A. Peak 6056 from nnoeabs.peaks (1.08, 8.07, 118.01 ppm; 4.10 A increased from 3.64 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 8 + H THR 8 OK 100 100 100 100 3.7-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 6057 from nnoeabs.peaks (8.51, 8.07, 118.01 ppm; 5.03 A): 2 out of 3 assignments used, quality = 1.00: * H SER 9 + H THR 8 OK 100 100 100 100 4.2-4.5 4.6=100 H HIS 7 + H THR 8 OK 73 73 100 100 2.4-3.0 4.7=100 H ILE 28 - H THR 8 far 0 98 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 6058 from nnoeabs.peaks (8.51, 8.51, 118.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 9 + H SER 9 OK 100 100 - 100 H GLU 56 + H GLU 56 OK 28 28 - 100 Peak 6059 from nnoeabs.peaks (8.07, 8.51, 118.95 ppm; 4.92 A): 1 out of 3 assignments used, quality = 1.00: * H THR 8 + H SER 9 OK 100 100 100 100 4.2-4.5 4.6=100 H LYS 52 - H GLU 56 far 0 46 0 - 5.7-6.0 H GLN 50 - H GLU 56 far 0 46 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 6060 from nnoeabs.peaks (4.59, 8.51, 118.95 ppm; 2.84 A): 1 out of 3 assignments used, quality = 0.98: * HA THR 8 + H SER 9 OK 98 100 100 98 2.1-2.2 95=94, 94/6062=39...(7) HB THR 37 - H GLU 56 far 0 56 0 - 8.2-8.5 HA ILE 11 - H SER 9 far 0 87 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 6061 from nnoeabs.peaks (4.08, 8.51, 118.95 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * HB THR 8 + H SER 9 OK 99 100 100 99 4.0-4.3 2.1/6062=77, 3.0/6060=73...(6) HA ASP 53 + H GLU 56 OK 44 47 100 95 3.6-3.8 1599=45, 1710/4.0=36...(9) HA LYS 58 - H GLU 56 far 0 42 0 - 7.1-7.2 HA VAL 6 - H SER 9 far 0 95 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 6062 from nnoeabs.peaks (1.08, 8.51, 118.95 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.97: * QG2 THR 8 + H SER 9 OK 97 100 100 97 2.5-2.8 94/6060=66, 4.1=57...(7) HG LEU 51 - H GLU 56 far 0 40 0 - 6.1-6.5 HG12 ILE 11 - H SER 9 far 0 65 0 - 6.3-6.6 HB2 LEU 51 - H GLU 56 far 0 47 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 6063 from nnoeabs.peaks (4.47, 8.51, 118.95 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 9 + H SER 9 OK 100 100 100 100 2.9-2.9 2.9=100 HA2 GLY 32 - H SER 9 far 0 94 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 6064 from nnoeabs.peaks (3.65, 8.51, 118.95 ppm; 3.40 A increased from 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HB2 SER 9 + H SER 9 OK 96 100 100 96 2.2-3.3 4.0=62, 117/2.9=33...(13) HB3 SER 9 + H SER 9 OK 95 100 100 95 3.3-3.6 4.0=62, 117/2.9=32...(12) HB3 SER 34 - H SER 9 far 0 100 0 - 7.0-7.7 HA2 GLY 30 - H SER 9 far 0 70 0 - 7.2-7.6 HA GLU 63 - H GLU 56 far 0 40 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 6065 from nnoeabs.peaks (3.65, 8.51, 118.95 ppm; 3.40 A increased from 3.20 A): 2 out of 5 assignments used, quality = 1.00: HB2 SER 9 + H SER 9 OK 96 100 100 96 2.2-3.3 4.0=62, 117/2.9=33...(13) * HB3 SER 9 + H SER 9 OK 95 100 100 95 3.3-3.6 4.0=62, 117/2.9=32...(12) HB3 SER 34 - H SER 9 far 0 100 0 - 7.0-7.7 HA2 GLY 30 - H SER 9 far 0 65 0 - 7.2-7.6 HA GLU 63 - H GLU 56 far 0 42 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 6066 from nnoeabs.peaks (8.17, 8.51, 118.95 ppm; 3.41 A): 0 out of 4 assignments used, quality = 0.00: ! H PHE 10 - H SER 9 far 0 100 0 - 4.4-4.4 H VAL 29 - H SER 9 far 0 91 0 - 4.5-4.7 H VAL 6 - H SER 9 far 0 73 0 - 8.3-9.4 H LEU 70 - H GLU 56 far 0 56 0 - 9.0-9.4 Violated in 20 structures by 0.59 A. Peak 6067 from nnoeabs.peaks (8.17, 8.17, 119.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 10 + H PHE 10 OK 100 100 - 100 Peak 6068 from nnoeabs.peaks (8.51, 8.17, 119.03 ppm; 3.72 A increased from 3.31 A): 1 out of 4 assignments used, quality = 0.98: H ILE 28 + H PHE 10 OK 98 98 100 100 3.5-3.6 8176/3.0=60...(13) ! H SER 9 - H PHE 10 far 0 100 0 - 4.4-4.4 H ILE 67 - H PHE 10 far 0 71 0 - 8.9-9.3 H HIS 7 - H PHE 10 far 0 73 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6069 from nnoeabs.peaks (4.47, 8.17, 119.03 ppm; 2.76 A): 1 out of 1 assignment used, quality = 0.97: * HA SER 9 + H PHE 10 OK 97 100 100 97 2.7-2.7 110=82, 8697/6075=25...(11) Violated in 0 structures by 0.00 A. Peak 6070 from nnoeabs.peaks (3.65, 8.17, 119.03 ppm; 3.03 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 9 + H PHE 10 OK 97 100 100 97 2.1-3.5 3.0/6069=51, 120=43...(14) HB3 SER 9 + H PHE 10 OK 94 100 100 94 1.9-3.1 3.0/6069=51, 120=42...(13) HB3 SER 34 - H PHE 10 far 0 100 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 6071 from nnoeabs.peaks (3.65, 8.17, 119.03 ppm; 3.03 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 9 + H PHE 10 OK 97 100 100 97 2.1-3.5 3.0/6069=51, 120=43...(14) * HB3 SER 9 + H PHE 10 OK 94 100 100 94 1.9-3.1 3.0/6069=51, 120=42...(13) HB3 SER 34 - H PHE 10 far 0 100 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 6072 from nnoeabs.peaks (5.32, 8.17, 119.03 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 10 + H PHE 10 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 26 - H PHE 10 far 0 100 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 6073 from nnoeabs.peaks (2.82, 8.17, 119.03 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.98: * HB2 PHE 10 + H PHE 10 OK 98 100 100 98 2.9-2.9 2.5/6075=63, 4.0=62...(7) Violated in 0 structures by 0.00 A. Peak 6074 from nnoeabs.peaks (2.66, 8.17, 119.03 ppm; 3.98 A increased from 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 10 + H PHE 10 OK 100 100 100 100 3.9-3.9 137=99, 1.8/6073=88...(6) HB3 ASP 65 - H PHE 10 far 0 100 0 - 6.0-6.5 HG3 GLN 72 - H PHE 10 far 0 84 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 6075 from nnoeabs.peaks (7.04, 8.17, 119.03 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.98: * QD PHE 10 + H PHE 10 OK 98 100 100 98 2.4-2.6 2.5/6073=56, 2.5/6074=45...(10) HD21 ASN 68 - H PHE 10 far 0 99 0 - 4.9-5.3 HE22 GLN 72 - H PHE 10 far 0 96 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6078 from nnoeabs.peaks (8.97, 8.17, 119.03 ppm; 4.60 A increased from 3.88 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 11 + H PHE 10 OK 100 100 100 100 4.4-4.4 4.7=97, 6081/3.0=94...(13) H ASP 26 - H PHE 10 far 0 73 0 - 7.3-7.5 H GLY 30 - H PHE 10 far 0 75 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 6079 from nnoeabs.peaks (8.97, 8.97, 120.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 11 + H ILE 11 OK 100 100 - 100 Peak 6080 from nnoeabs.peaks (8.17, 8.97, 120.10 ppm; 4.67 A increased from 4.39 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 10 + H ILE 11 OK 100 100 100 100 4.4-4.4 4.7=100 H VAL 29 - H ILE 11 far 0 91 0 - 8.0-8.3 H LEU 70 - H ILE 11 far 0 100 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 6081 from nnoeabs.peaks (5.32, 8.97, 120.10 ppm; 2.78 A): 1 out of 2 assignments used, quality = 0.99: * HA PHE 10 + H ILE 11 OK 99 100 100 99 2.4-2.5 128=74, 3.0/6082=32...(18) HA ASP 26 - H ILE 11 far 0 100 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 6082 from nnoeabs.peaks (2.82, 8.97, 120.10 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 10 + H ILE 11 OK 100 100 100 100 3.3-3.6 1.8/6083=71, 3.0/6081=71...(10) Violated in 0 structures by 0.00 A. Peak 6083 from nnoeabs.peaks (2.66, 8.97, 120.10 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 10 + H ILE 11 OK 100 100 100 100 2.3-2.5 1.8/6082=76, 144=75...(10) HB3 ASP 65 - H ILE 11 far 0 100 0 - 8.0-8.2 HG3 GLN 72 - H ILE 11 far 0 84 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 6084 from nnoeabs.peaks (7.04, 8.97, 120.10 ppm; 4.19 A increased from 3.94 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 10 + H ILE 11 OK 100 100 100 100 4.0-4.1 4.5=82, 2.5/6082=78...(13) HD21 ASN 68 - H ILE 11 far 0 99 0 - 5.2-5.7 HE22 GLN 72 - H ILE 11 far 0 96 0 - 8.4-8.8 QE PHE 40 - H ILE 11 far 0 92 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 6087 from nnoeabs.peaks (4.57, 8.97, 120.10 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 11 + H ILE 11 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 65 - H ILE 11 far 0 88 0 - 6.6-6.8 HA THR 8 - H ILE 11 far 0 87 0 - 9.1-9.3 HB THR 37 - H ILE 11 far 0 90 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 6088 from nnoeabs.peaks (1.63, 8.97, 120.10 ppm; 3.38 A): 1 out of 5 assignments used, quality = 0.99: * HB ILE 11 + H ILE 11 OK 99 100 100 99 3.3-3.4 4.0=62, 2.9/6090=50...(13) HB ILE 28 - H ILE 11 far 0 99 0 - 5.7-5.8 HB3 LYS 13 - H ILE 11 far 0 75 0 - 8.1-8.8 HB2 LEU 55 - H ILE 11 far 0 82 0 - 9.0-9.5 HD2 LYS 58 - H ILE 11 far 0 99 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 6089 from nnoeabs.peaks (0.85, 8.97, 120.10 ppm; 4.13 A increased from 3.30 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 11 + H ILE 11 OK 100 100 100 100 4.0-4.0 4.0=100 QG2 VAL 25 + H ILE 11 OK 97 100 100 97 3.9-4.2 2.1/8756=89...(9) QD1 LEU 51 - H ILE 11 far 0 100 0 - 6.0-6.2 QD1 LEU 12 - H ILE 11 far 0 100 0 - 6.2-6.4 QG1 VAL 103 - H ILE 11 far 0 92 0 - 6.3-8.0 QG2 VAL 102 - H ILE 11 far 0 98 0 - 8.4-8.7 QG2 VAL 6 - H ILE 11 far 0 98 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6090 from nnoeabs.peaks (1.05, 8.97, 120.10 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 11 + H ILE 11 OK 100 100 100 100 2.3-3.4 1.8/177=66, 169=63...(19) QG2 THR 33 - H ILE 11 far 0 75 0 - 4.9-5.2 QG2 THR 8 - H ILE 11 far 0 65 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 6091 from nnoeabs.peaks (1.42, 8.97, 120.10 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 11 + H ILE 11 OK 100 100 100 100 2.5-4.1 177=100, 1.8/6090=86...(16) HB2 LEU 36 - H ILE 11 far 0 65 0 - 5.2-5.4 HG LEU 70 - H ILE 11 far 0 100 0 - 8.7-9.0 Violated in 1 structures by 0.00 A. Peak 6092 from nnoeabs.peaks (0.77, 8.97, 120.10 ppm; 3.79 A): 1 out of 8 assignments used, quality = 1.00: * QD1 ILE 11 + H ILE 11 OK 100 100 100 100 2.2-4.1 2.1/6090=74, 2.1/177=67...(20) QD2 LEU 36 - H ILE 11 far 0 87 0 - 4.4-4.6 QG2 VAL 69 - H ILE 11 far 0 98 0 - 4.9-5.2 QG2 ILE 28 - H ILE 11 far 0 96 0 - 6.3-6.4 HB3 LEU 55 - H ILE 11 far 0 100 0 - 8.0-8.4 QD2 LEU 109 - H ILE 11 far 0 98 0 - 9.1-19.9 QD1 ILE 23 - H ILE 11 far 0 98 0 - 9.3-9.7 QG1 VAL 29 - H ILE 11 far 0 97 0 - 9.7-9.9 Violated in 4 structures by 0.07 A. Peak 6093 from nnoeabs.peaks (9.16, 8.97, 120.10 ppm; 4.47 A increased from 3.98 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 12 + H ILE 11 OK 100 100 100 100 4.4-4.4 6096/3.0=93, 4.7=89...(8) H GLN 27 + H ILE 11 OK 94 95 100 99 4.6-4.8 2.9/8065=77...(10) Violated in 0 structures by 0.00 A. Peak 6094 from nnoeabs.peaks (9.16, 9.16, 127.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 12 + H LEU 12 OK 100 100 - 100 Peak 6095 from nnoeabs.peaks (8.97, 9.16, 127.98 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 11 + H LEU 12 OK 100 100 100 100 4.4-4.4 3.0/6096=86, 4.7=71...(8) H ASP 26 + H LEU 12 OK 69 73 100 94 3.9-4.1 10319/3.0=42...(9) H ASN 71 - H LEU 12 far 0 81 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 6096 from nnoeabs.peaks (4.57, 9.16, 127.98 ppm; 2.71 A): 1 out of 2 assignments used, quality = 0.98: * HA ILE 11 + H LEU 12 OK 98 100 100 98 2.6-2.6 152=87, 162/6098=38...(10) HA ASP 65 - H LEU 12 far 0 88 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 6097 from nnoeabs.peaks (1.63, 9.16, 127.98 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 11 + H LEU 12 OK 100 100 100 100 2.4-2.6 160=100, 2.1/6098=81...(9) HB3 LYS 13 - H LEU 12 far 0 75 0 - 6.4-6.6 HB ILE 28 - H LEU 12 far 0 99 0 - 8.7-8.8 Violated in 0 structures by 0.00 A. Peak 6098 from nnoeabs.peaks (0.85, 9.16, 127.98 ppm; 2.98 A): 1 out of 7 assignments used, quality = 0.99: * QG2 ILE 11 + H LEU 12 OK 99 100 100 99 1.8-1.9 168=79, 2.1/160=51...(10) QG1 VAL 103 - H LEU 12 far 0 92 0 - 3.6-5.6 QG2 VAL 25 - H LEU 12 far 0 100 0 - 4.1-4.3 QD1 LEU 12 - H LEU 12 far 0 100 0 - 4.6-4.7 QG2 VAL 102 - H LEU 12 far 0 98 0 - 5.0-5.4 QD1 LEU 51 - H LEU 12 far 0 100 0 - 6.9-7.2 QD1 LEU 109 - H LEU 12 far 0 99 0 - 9.3-19.0 Violated in 0 structures by 0.00 A. Peak 6099 from nnoeabs.peaks (1.05, 9.16, 127.98 ppm; 4.72 A increased from 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 11 + H LEU 12 OK 100 100 100 100 4.6-4.7 172/6098=91, 2.9/160=88...(8) QG2 THR 33 - H LEU 12 far 0 75 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 6100 from nnoeabs.peaks (1.42, 9.16, 127.98 ppm; 4.89 A increased from 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 11 + H LEU 12 OK 100 100 100 100 4.6-4.7 184=100, 166/6098=94...(8) HB2 LEU 36 - H LEU 12 far 0 65 0 - 8.9-9.1 HG LEU 70 - H LEU 12 far 0 100 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 6101 from nnoeabs.peaks (0.77, 9.16, 127.98 ppm; 4.28 A increased from 3.81 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 11 + H LEU 12 OK 100 100 100 100 4.2-4.3 167/6098=89, 187/160=80...(8) QG2 VAL 69 - H LEU 12 far 0 98 0 - 6.0-6.2 QD2 LEU 109 - H LEU 12 far 0 98 0 - 7.6-18.4 QD2 LEU 36 - H LEU 12 far 0 87 0 - 7.7-7.9 QG2 ILE 23 - H LEU 12 far 0 63 0 - 8.1-8.4 QD1 ILE 23 - H LEU 12 far 0 98 0 - 8.1-8.4 QG2 ILE 28 - H LEU 12 far 0 96 0 - 8.3-8.3 Violated in 0 structures by 0.00 A. Peak 6102 from nnoeabs.peaks (4.68, 9.16, 127.98 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 12 + H LEU 12 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6103 from nnoeabs.peaks (1.18, 9.16, 127.98 ppm; 3.52 A increased from 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 12 + H LEU 12 OK 100 100 100 100 3.3-3.4 1.8/6104=78, 201=78...(11) HG2 LYS 13 - H LEU 12 poor 15 73 20 - 4.1-5.0 HG3 LYS 13 - H LEU 12 far 0 73 0 - 4.5-6.0 QD1 LEU 36 - H LEU 12 far 0 75 0 - 9.8-9.9 Violated in 0 structures by 0.00 A. Peak 6104 from nnoeabs.peaks (1.86, 9.16, 127.98 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 12 + H LEU 12 OK 99 100 100 99 2.6-2.6 1.8/6103=64, 3.9=60...(14) HB VAL 103 - H LEU 12 far 0 100 0 - 4.2-6.5 HB VAL 76 - H LEU 12 far 0 95 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 6105 from nnoeabs.peaks (1.53, 9.16, 127.98 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 12 + H LEU 12 OK 100 100 100 100 4.3-4.4 3.0/6104=82, 3.0/6103=78...(9) QB ALA 73 - H LEU 12 far 0 100 0 - 6.5-6.7 HG LEU 109 - H LEU 12 far 0 100 0 - 8.7-23.1 HB3 LEU 109 - H LEU 12 far 0 82 0 - 8.7-21.1 Violated in 0 structures by 0.00 A. Peak 6106 from nnoeabs.peaks (0.85, 9.16, 127.98 ppm; 3.00 A): 1 out of 7 assignments used, quality = 0.99: QG2 ILE 11 + H LEU 12 OK 99 100 100 99 1.8-1.9 168=80, 2.1/160=52...(10) QG1 VAL 103 - H LEU 12 far 4 85 5 - 3.6-5.6 QG2 VAL 25 - H LEU 12 far 0 100 0 - 4.1-4.3 ! QD1 LEU 12 - H LEU 12 far 0 100 0 - 4.6-4.7 QG2 VAL 102 - H LEU 12 far 0 100 0 - 5.0-5.4 QD1 LEU 51 - H LEU 12 far 0 99 0 - 6.9-7.2 QD1 LEU 109 - H LEU 12 far 0 100 0 - 9.3-19.0 Violated in 0 structures by 0.00 A. Peak 6107 from nnoeabs.peaks (0.63, 9.16, 127.98 ppm; 4.25 A increased from 4.00 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 12 + H LEU 12 OK 100 100 100 100 4.0-4.1 233=89, 3.1/6104=76...(9) Violated in 0 structures by 0.00 A. Peak 6108 from nnoeabs.peaks (8.85, 9.16, 127.98 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 13 + H LEU 12 OK 100 100 100 100 4.1-4.3 4.6=90, 6111/3.0=86...(9) H GLU 101 - H LEU 12 far 0 100 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 6109 from nnoeabs.peaks (8.85, 8.85, 126.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + H LYS 13 OK 100 100 - 100 Peak 6110 from nnoeabs.peaks (9.16, 8.85, 126.44 ppm; 5.44 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 12 + H LYS 13 OK 100 100 100 100 4.1-4.3 4.6=100 H GLN 27 - H LYS 13 far 0 95 0 - 7.7-8.0 H TRP 16 - H LYS 13 far 0 97 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 6111 from nnoeabs.peaks (4.68, 8.85, 126.44 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 12 + H LYS 13 OK 100 100 100 100 2.1-2.2 200=96, 3.7/6114=34...(14) HA SER 105 - H LYS 13 far 0 96 0 - 9.1-10.7 HA LEU 36 - H LYS 13 far 0 77 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 6112 from nnoeabs.peaks (1.18, 8.85, 126.44 ppm; 3.96 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 12 + H LYS 13 OK 100 100 100 100 4.1-4.3 3.0/6111=73, 4.5=66...(11) HG3 LYS 13 + H LYS 13 OK 72 73 100 98 2.5-3.8 3.0/6118=59, 4.9=54...(15) HG2 LYS 13 + H LYS 13 OK 72 73 100 98 2.3-3.7 3.0/6118=59, 4.9=54...(15) QD1 LEU 36 - H LYS 13 far 0 75 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 6113 from nnoeabs.peaks (1.86, 8.85, 126.44 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 12 + H LYS 13 OK 100 100 100 100 4.3-4.4 4.5=100 HB VAL 103 + H LYS 13 OK 84 100 85 99 4.1-6.7 10228/2.9=74...(10) HB VAL 76 - H LYS 13 far 0 95 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 6114 from nnoeabs.peaks (1.53, 8.85, 126.44 ppm; 3.73 A): 1 out of 5 assignments used, quality = 0.99: * HG LEU 12 + H LYS 13 OK 99 100 100 99 2.7-3.2 224=80, 3.7/6111=55...(10) QB ALA 73 - H LYS 13 far 0 100 0 - 5.6-6.0 HB3 LEU 109 - H LYS 13 far 0 82 0 - 8.1-17.7 HG LEU 109 - H LYS 13 far 0 100 0 - 9.0-19.4 HG LEU 36 - H LYS 13 far 0 61 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6115 from nnoeabs.peaks (0.85, 8.85, 126.44 ppm; 3.61 A increased from 3.21 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 12 + H LYS 13 OK 99 100 100 99 3.2-3.7 2.1/6114=65, 232=51...(14) QG2 VAL 25 + H LYS 13 OK 95 100 100 95 3.6-3.9 232=49, 3.2/10800=47...(10) QG1 VAL 103 - H LYS 13 far 13 85 15 - 3.6-5.5 QG2 ILE 11 - H LYS 13 far 0 100 0 - 5.1-5.5 QD1 LEU 51 - H LYS 13 far 0 99 0 - 5.3-5.8 QG2 VAL 102 - H LYS 13 far 0 100 0 - 6.1-6.4 HG LEU 15 - H LYS 13 far 0 100 0 - 9.0-9.8 QD1 LEU 109 - H LYS 13 far 0 100 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 6116 from nnoeabs.peaks (0.63, 8.85, 126.44 ppm; 4.65 A increased from 4.37 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 12 + H LYS 13 OK 100 100 100 100 4.2-4.6 240=96, 2.1/6114=92...(10) Violated in 0 structures by 0.00 A. Peak 6117 from nnoeabs.peaks (5.15, 8.85, 126.44 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 13 + H LYS 13 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6118 from nnoeabs.peaks (1.31, 8.85, 126.44 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LYS 13 + H LYS 13 OK 99 100 100 99 2.5-3.8 4.0=97, 3.0/274=33...(9) HG12 ILE 28 - H LYS 13 far 0 61 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 6119 from nnoeabs.peaks (1.60, 8.85, 126.44 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 13 + H LYS 13 OK 100 100 100 100 2.8-3.7 4.0=100 HB ILE 11 - H LYS 13 poor 15 75 20 - 4.6-5.1 HG13 ILE 77 - H LYS 13 far 0 82 0 - 8.9-9.4 HG LEU 36 - H LYS 13 far 0 70 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6120 from nnoeabs.peaks (1.15, 8.85, 126.44 ppm; 3.62 A): 3 out of 6 assignments used, quality = 1.00: HG3 LYS 13 + H LYS 13 OK 97 100 100 97 2.5-3.8 3.0/6118=49, 285=48...(15) * HG2 LYS 13 + H LYS 13 OK 97 100 100 97 2.3-3.7 3.0/6118=49, 285=48...(16) HB2 LEU 12 + H LYS 13 OK 61 73 85 98 4.1-4.3 3.0/6111=63, 3.0/6114=54...(11) HB VAL 14 - H LYS 13 far 0 84 0 - 6.0-6.2 HG LEU 51 - H LYS 13 far 0 61 0 - 8.0-8.6 QD1 LEU 36 - H LYS 13 far 0 100 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 6121 from nnoeabs.peaks (1.15, 8.85, 126.44 ppm; 3.62 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 13 + H LYS 13 OK 97 100 100 97 2.5-3.8 3.0/6118=49, 285=48...(15) HG2 LYS 13 + H LYS 13 OK 97 100 100 97 2.3-3.7 3.0/6118=49, 285=48...(16) HB2 LEU 12 + H LYS 13 OK 61 73 85 98 4.1-4.3 3.0/6111=63, 3.0/6114=54...(11) HB VAL 14 - H LYS 13 far 0 84 0 - 6.0-6.2 HG LEU 51 - H LYS 13 far 0 61 0 - 8.0-8.6 QD1 LEU 36 - H LYS 13 far 0 100 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 6122 from nnoeabs.peaks (1.48, 8.85, 126.44 ppm; 3.75 A): 0 out of 5 assignments used, quality = 0.00: ! HD2 LYS 13 - H LYS 13 far 0 100 0 - 4.4-5.1 HD3 LYS 13 - H LYS 13 far 0 100 0 - 4.4-5.1 HB3 LEU 51 - H LYS 13 far 0 100 0 - 7.2-8.9 HB2 LEU 36 - H LYS 13 far 0 92 0 - 8.2-8.5 HB2 LEU 109 - H LYS 13 far 0 100 0 - 9.5-17.5 Violated in 20 structures by 0.39 A. Peak 6123 from nnoeabs.peaks (1.48, 8.85, 126.44 ppm; 3.75 A): 0 out of 5 assignments used, quality = 0.00: HD2 LYS 13 - H LYS 13 far 0 100 0 - 4.4-5.1 ! HD3 LYS 13 - H LYS 13 far 0 100 0 - 4.4-5.1 HB3 LEU 51 - H LYS 13 far 0 100 0 - 7.2-8.9 HB2 LEU 36 - H LYS 13 far 0 92 0 - 8.2-8.5 HB2 LEU 109 - H LYS 13 far 0 100 0 - 9.5-17.5 Violated in 20 structures by 0.39 A. Peak 6126 from nnoeabs.peaks (8.54, 8.85, 126.44 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 14 + H LYS 13 OK 100 100 100 100 4.3-4.5 4.6=100 H ILE 28 - H LYS 13 far 0 85 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6127 from nnoeabs.peaks (8.54, 8.54, 119.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 14 + H VAL 14 OK 100 100 - 100 Peak 6128 from nnoeabs.peaks (8.85, 8.54, 119.92 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 13 + H VAL 14 OK 100 100 100 100 4.3-4.5 4.6=100 H SER 105 + H VAL 14 OK 94 99 100 95 4.3-5.2 10248=73, 3.6/10803=66...(5) H GLU 101 - H VAL 14 far 0 100 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 6129 from nnoeabs.peaks (5.15, 8.54, 119.92 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.99: * HA LYS 13 + H VAL 14 OK 99 100 100 99 2.1-2.2 3.6=96, 3.0/273=37...(10) Violated in 0 structures by 0.00 A. Peak 6138 from nnoeabs.peaks (5.36, 8.54, 119.92 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 14 + H VAL 14 OK 100 100 100 100 2.9-2.9 3.0=100 HG1 THR 37 - H VAL 14 far 0 100 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 6139 from nnoeabs.peaks (1.12, 8.54, 119.92 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 14 + H VAL 14 OK 100 100 100 100 2.3-2.5 4.0=100 HG2 LYS 13 + H VAL 14 OK 28 84 35 97 4.5-5.2 3.9/6129=57, 5.0=55...(9) HG3 LYS 13 - H VAL 14 far 4 84 5 - 4.5-5.7 Violated in 0 structures by 0.00 A. Peak 6140 from nnoeabs.peaks (0.50, 8.54, 119.92 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 14 + H VAL 14 OK 100 100 100 100 3.0-3.2 4.0=100 QD2 LEU 51 - H VAL 14 far 0 85 0 - 7.6-8.1 HG12 ILE 77 - H VAL 14 far 0 100 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6141 from nnoeabs.peaks (0.95, 8.54, 119.92 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 14 + H VAL 14 OK 100 100 100 100 3.6-3.7 4.0=100 QG1 VAL 76 - H VAL 14 far 0 100 0 - 5.1-5.3 HB2 LEU 15 - H VAL 14 far 0 99 0 - 5.6-5.9 QG1 VAL 25 - H VAL 14 far 0 82 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 6142 from nnoeabs.peaks (8.89, 8.54, 119.92 ppm; 4.84 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 15 + H VAL 14 OK 100 100 100 100 4.4-4.5 4.6=100 H ALA 24 + H VAL 14 OK 76 82 100 93 4.9-5.2 10317/3.0=61, 357/352=33...(8) H SER 105 + H VAL 14 OK 74 79 100 94 4.3-5.2 3.6/10803=70, 10248=66...(5) H GLU 101 - H VAL 14 far 0 59 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 6143 from nnoeabs.peaks (8.89, 8.89, 126.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 15 + H LEU 15 OK 100 100 - 100 Peak 6145 from nnoeabs.peaks (5.36, 8.89, 126.92 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 14 + H LEU 15 OK 100 100 100 100 2.1-2.2 3.6=100 HG1 THR 37 - H LEU 15 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 6146 from nnoeabs.peaks (1.12, 8.89, 126.92 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 14 + H LEU 15 OK 100 100 100 100 4.1-4.4 4.6=100 HG3 LYS 13 - H LEU 15 far 0 84 0 - 7.8-8.3 HG2 LYS 13 - H LEU 15 far 0 84 0 - 7.8-8.3 HB2 LEU 51 - H LEU 15 far 0 93 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 6147 from nnoeabs.peaks (0.50, 8.89, 126.92 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 14 + H LEU 15 OK 100 100 100 100 3.4-3.7 4.2=100 HG12 ILE 77 - H LEU 15 far 0 100 0 - 6.8-7.3 QD2 LEU 51 - H LEU 15 far 0 85 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 6148 from nnoeabs.peaks (0.95, 8.89, 126.92 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 14 + H LEU 15 OK 100 100 100 100 2.2-2.7 363=100, 2.1/357=43...(13) HB2 LEU 15 + H LEU 15 OK 99 99 100 100 2.4-2.7 4.0=96, 8127/8887=53...(10) QG1 VAL 76 - H LEU 15 far 0 100 0 - 4.9-5.1 Violated in 0 structures by 0.00 A. Peak 6149 from nnoeabs.peaks (4.96, 8.89, 126.92 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 15 + H LEU 15 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6150 from nnoeabs.peaks (0.96, 8.89, 126.92 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 15 + H LEU 15 OK 100 100 100 100 2.4-2.7 4.0=96, 8127/8887=51...(10) QG1 VAL 14 + H LEU 15 OK 99 99 100 100 2.2-2.7 363=99, 2.1/357=43...(13) QG1 VAL 76 - H LEU 15 far 0 96 0 - 4.9-5.1 Violated in 0 structures by 0.00 A. Peak 6151 from nnoeabs.peaks (1.23, 8.89, 126.92 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 15 + H LEU 15 OK 100 100 100 100 2.7-2.9 4.0=100 HG13 ILE 23 - H LEU 15 far 0 100 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 6152 from nnoeabs.peaks (0.84, 8.89, 126.92 ppm; 4.09 A increased from 3.63 A): 2 out of 10 assignments used, quality = 0.99: * HG LEU 15 + H LEU 15 OK 98 100 100 98 4.3-4.6 2.1/404=64, 5.0=54...(10) QG2 ILE 23 + H LEU 15 OK 52 61 100 84 3.8-4.2 3.2/8829=44...(7) QG1 VAL 103 - H LEU 15 far 0 77 0 - 5.4-7.4 QD1 LEU 17 - H LEU 15 far 0 100 0 - 5.6-6.3 QD1 LEU 12 - H LEU 15 far 0 100 0 - 6.2-6.7 QD1 LEU 109 - H LEU 15 far 0 100 0 - 6.6-15.3 QD2 LEU 17 - H LEU 15 far 0 100 0 - 6.9-7.2 QG2 VAL 102 - H LEU 15 far 0 100 0 - 7.5-7.8 QG2 VAL 25 - H LEU 15 far 0 100 0 - 8.4-8.7 QD1 LEU 51 - H LEU 15 far 0 96 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 6155 from nnoeabs.peaks (9.17, 8.89, 126.92 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 16 + H LEU 15 OK 100 100 100 100 4.2-4.4 4.6=100 HE1 TRP 80 - H LEU 15 far 0 81 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 6156 from nnoeabs.peaks (9.17, 9.17, 129.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 16 + H TRP 16 OK 100 100 - 100 Peak 6157 from nnoeabs.peaks (8.89, 9.17, 129.32 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 15 + H TRP 16 OK 100 100 100 100 4.2-4.4 4.6=100 H SER 105 + H TRP 16 OK 78 79 100 99 3.3-4.2 10733=78, 10249/3.6=53...(10) H ALA 24 - H TRP 16 far 0 82 0 - 8.9-9.4 H TRP 80 - H TRP 16 far 0 99 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6158 from nnoeabs.peaks (4.96, 9.17, 129.32 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 15 + H TRP 16 OK 100 100 100 100 2.1-2.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 6159 from nnoeabs.peaks (0.96, 9.17, 129.32 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 15 + H TRP 16 OK 99 100 100 99 4.5-4.5 4.6=92, 3.1/411=63...(6) QG1 VAL 14 + H TRP 16 OK 98 99 100 99 3.5-3.6 8833/2.9=70, 363/4.6=52...(12) QG1 VAL 76 - H TRP 16 far 0 96 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 6161 from nnoeabs.peaks (0.84, 9.17, 129.32 ppm; 4.79 A): 1 out of 8 assignments used, quality = 0.95: * HG LEU 15 + H TRP 16 OK 95 100 100 95 3.6-3.9 2.1/411=83, 6152/4.6=37...(6) QD2 LEU 17 - H TRP 16 far 5 100 5 - 5.3-6.0 QD1 LEU 109 - H TRP 16 far 0 100 0 - 5.4-14.5 QD1 LEU 17 - H TRP 16 far 0 100 0 - 5.8-6.7 QG1 VAL 103 - H TRP 16 far 0 77 0 - 6.0-7.6 QG2 ILE 23 - H TRP 16 far 0 61 0 - 7.1-7.5 QG2 VAL 102 - H TRP 16 far 0 100 0 - 8.9-9.4 QD1 LEU 12 - H TRP 16 far 0 100 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 6163 from nnoeabs.peaks (0.44, 9.17, 129.32 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 15 + H TRP 16 OK 100 100 100 100 2.8-3.2 4.9=100 Violated in 0 structures by 0.00 A. Peak 6165 from nnoeabs.peaks (3.13, 9.17, 129.32 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 16 + H TRP 16 OK 100 100 100 100 2.8-3.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 6166 from nnoeabs.peaks (3.78, 9.17, 129.32 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TRP 16 + H TRP 16 OK 100 100 100 100 2.2-2.3 4.0=100 HB3 SER 105 + H TRP 16 OK 23 70 40 82 4.4-5.7 11143/3.6=39...(6) HB2 SER 105 - H TRP 16 poor 14 71 20 - 4.3-6.9 HA TRP 80 - H TRP 16 far 0 100 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 6173 from nnoeabs.peaks (6.92, 6.92, 124.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 17 + H LEU 17 OK 100 100 - 100 Peak 6175 from nnoeabs.peaks (4.71, 6.92, 124.25 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 16 + H LEU 17 OK 100 100 100 100 2.2-2.2 3.6=100 HA ASN 108 - H LEU 17 far 0 91 0 - 8.3-18.5 Violated in 0 structures by 0.00 A. Peak 6183 from nnoeabs.peaks (5.05, 6.92, 124.25 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 17 + H LEU 17 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6186 from nnoeabs.peaks (1.38, 6.92, 124.25 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 17 + H LEU 17 OK 100 100 100 100 3.4-3.6 466=100, 2.1/482=82...(11) HD3 LYS 84 - H LEU 17 far 0 98 0 - 7.7-12.0 HG LEU 83 - H LEU 17 far 0 73 0 - 8.4-9.6 HG3 LYS 84 - H LEU 17 far 0 99 0 - 8.7-13.1 Violated in 0 structures by 0.00 A. Peak 6187 from nnoeabs.peaks (0.84, 6.92, 124.25 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 17 + H LEU 17 OK 100 100 100 100 4.0-4.3 2.1/482=73, 2.1/466=72...(14) QD2 LEU 17 + H LEU 17 OK 100 100 100 100 4.0-4.2 482=100, 447/3.0=82...(13) HG LEU 15 - H LEU 17 far 0 100 0 - 5.9-6.4 QD1 LEU 109 - H LEU 17 far 0 100 0 - 6.7-17.9 QG2 ILE 23 - H LEU 17 far 0 71 0 - 6.9-7.1 QG1 VAL 103 - H LEU 17 far 0 68 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 6188 from nnoeabs.peaks (0.84, 6.92, 124.25 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 17 + H LEU 17 OK 100 100 100 100 4.0-4.2 482=100, 448/3.0=82...(13) QD1 LEU 17 + H LEU 17 OK 100 100 100 100 4.0-4.3 2.1/482=73, 2.1/466=72...(14) HG LEU 15 - H LEU 17 far 0 100 0 - 5.9-6.4 QD1 LEU 109 - H LEU 17 far 0 100 0 - 6.7-17.9 QG2 ILE 23 - H LEU 17 far 0 57 0 - 6.9-7.1 QG1 VAL 103 - H LEU 17 far 0 81 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 6190 from nnoeabs.peaks (8.40, 8.40, 118.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 18 + H ASP 18 OK 100 100 - 100 H ASP 53 + H ASP 53 OK 85 85 - 100 Peak 6192 from nnoeabs.peaks (5.05, 8.40, 118.06 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 17 + H ASP 18 OK 100 100 100 100 2.7-2.7 3.6=100 HA PHE 40 - H ASP 53 far 0 74 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 6193 from nnoeabs.peaks (1.86, 8.40, 118.06 ppm; 5.19 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 17 + H ASP 18 OK 100 100 100 100 1.9-1.9 4.6=100 HG3 GLU 56 + H ASP 53 OK 50 53 95 99 4.0-5.8 3.0/9451=60, ~9528=53...(9) HB3 GLU 56 - H ASP 53 far 0 72 0 - 6.0-6.3 HB2 GLN 89 - H ASP 18 far 0 100 0 - 7.9-12.0 HB3 GLU 110 - H ASP 18 far 0 77 0 - 9.3-24.3 Violated in 0 structures by 0.00 A. Peak 6194 from nnoeabs.peaks (2.36, 8.40, 118.06 ppm; 4.69 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 17 + H ASP 18 OK 100 100 100 100 3.4-3.5 4.6=100 HG2 GLU 56 + H ASP 53 OK 35 78 45 99 4.0-6.2 9528/3.0=53, 3.0/9451=51...(11) HG3 GLN 19 - H ASP 18 far 0 75 0 - 5.5-6.6 HG2 GLU 54 - H ASP 53 far 0 85 0 - 6.1-6.5 HG2 GLN 50 - H ASP 53 far 0 69 0 - 6.9-7.3 HB2 PHE 41 - H ASP 18 far 0 91 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 6195 from nnoeabs.peaks (1.38, 8.40, 118.06 ppm; 3.75 A): 2 out of 5 assignments used, quality = 0.98: HB3 LYS 52 + H ASP 53 OK 86 88 100 98 2.2-4.0 1527=59, 6646/6653=53...(12) * HG LEU 17 + H ASP 18 OK 85 100 95 89 4.1-4.4 446/3.6=46, 466/4.6=33...(7) HD3 LYS 84 - H ASP 18 far 0 98 0 - 7.9-11.6 HD3 LYS 58 - H ASP 53 far 0 78 0 - 8.3-10.3 HG3 LYS 84 - H ASP 18 far 0 99 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 6196 from nnoeabs.peaks (0.84, 8.40, 118.06 ppm; 4.36 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 17 + H ASP 18 OK 99 100 100 99 1.9-2.6 447/3.6=74, 4.9=72...(8) * QD1 LEU 17 + H ASP 18 OK 98 100 100 98 3.4-3.7 4.9=72, 475/3.6=62...(7) QD1 LEU 51 + H ASP 53 OK 29 79 45 82 4.8-5.4 6643/6653=48...(6) QD1 LEU 109 - H ASP 18 far 0 100 0 - 5.4-20.0 QG2 VAL 25 - H ASP 53 far 0 89 0 - 7.2-8.0 QD1 ILE 67 - H ASP 53 far 0 57 0 - 7.9-8.6 HG LEU 15 - H ASP 18 far 0 100 0 - 8.3-8.9 QD1 LEU 12 - H ASP 53 far 0 89 0 - 8.6-9.4 QG2 ILE 23 - H ASP 53 far 0 60 0 - 9.5-10.3 QG2 ILE 23 - H ASP 18 far 0 71 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6197 from nnoeabs.peaks (0.84, 8.40, 118.06 ppm; 4.36 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 17 + H ASP 18 OK 99 100 100 99 1.9-2.6 448/3.6=74, 4.9=72...(8) QD1 LEU 17 + H ASP 18 OK 98 100 100 98 3.4-3.7 4.9=72, 475/3.6=61...(7) QD1 LEU 51 + H ASP 53 OK 33 86 45 85 4.8-5.4 6643/6653=55...(6) QD1 LEU 109 - H ASP 18 far 0 100 0 - 5.4-20.0 QG2 VAL 25 - H ASP 53 far 0 92 0 - 7.2-8.0 HG LEU 15 - H ASP 18 far 0 100 0 - 8.3-8.9 QD1 LEU 12 - H ASP 53 far 0 92 0 - 8.6-9.4 QG2 ILE 23 - H ASP 53 far 0 48 0 - 9.5-10.3 QG2 ILE 23 - H ASP 18 far 0 57 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6199 from nnoeabs.peaks (2.75, 8.40, 118.06 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASP 18 + H ASP 18 OK 100 100 100 100 2.2-3.1 3.9=100 HB3 ASP 18 + H ASP 18 OK 100 100 100 100 3.0-3.6 3.9=100 HB2 ASN 108 - H ASP 18 far 0 73 0 - 8.0-21.7 HB2 TRP 48 - H ASP 53 far 0 51 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 6200 from nnoeabs.peaks (2.74, 8.40, 118.06 ppm; 4.32 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASP 18 + H ASP 18 OK 100 100 100 100 3.0-3.6 3.9=100 HB2 ASP 18 + H ASP 18 OK 100 100 100 100 2.2-3.1 3.9=100 HB2 ASN 108 - H ASP 18 far 0 68 0 - 8.0-21.7 Violated in 0 structures by 0.00 A. Peak 6215 from nnoeabs.peaks (7.63, 7.63, 113.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 19 + HE21 GLN 19 OK 100 100 - 100 HD21 ASN 20 + HD21 ASN 20 OK 99 99 - 100 Peak 6217 from nnoeabs.peaks (4.50, 7.63, 113.29 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 19 + HE21 GLN 19 OK 99 100 100 99 2.4-4.4 5.1=84, 533/3.5=63...(6) HA GLN 19 + HD21 ASN 20 OK 73 99 80 91 4.2-5.7 ~8858=46, ~8857=45...(6) HA GLN 89 - HE21 GLN 19 far 0 100 0 - 7.6-11.2 HA ALA 45 - HD21 ASN 20 far 0 94 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 6218 from nnoeabs.peaks (2.26, 7.63, 113.29 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 19 + HE21 GLN 19 OK 99 100 100 99 2.0-4.4 4.5=90, 3.0/8856=47...(7) HB2 GLN 19 + HD21 ASN 20 OK 92 99 95 97 2.4-5.1 8857/1.7=59, 520=48...(9) HG2 GLN 89 - HE21 GLN 19 far 0 96 0 - 6.9-13.8 HG3 GLN 89 - HE21 GLN 19 far 0 84 0 - 7.1-13.7 Violated in 0 structures by 0.00 A. Peak 6219 from nnoeabs.peaks (1.98, 7.63, 113.29 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 19 + HE21 GLN 19 OK 100 100 100 100 3.5-4.3 4.5=100 HB3 GLN 19 + HD21 ASN 20 OK 93 99 95 98 3.6-5.6 8858/1.7=76, ~8857=58...(8) HB3 GLN 89 - HE21 GLN 19 far 0 84 0 - 7.1-12.6 Violated in 0 structures by 0.00 A. Peak 6220 from nnoeabs.peaks (2.42, 7.63, 113.29 ppm; 3.54 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLN 19 + HE21 GLN 19 OK 100 100 100 100 2.1-2.8 3.5=100 HB3 ASN 20 + HD21 ASN 20 OK 88 88 100 100 2.2-3.6 3.5=100 HG3 GLN 19 + HE21 GLN 19 OK 75 75 100 100 3.2-3.6 3.5=100 HG2 GLN 19 - HD21 ASN 20 far 0 99 0 - 4.3-7.5 HG3 GLN 19 - HD21 ASN 20 far 0 73 0 - 4.7-7.5 HB3 ASN 20 - HE21 GLN 19 far 0 90 0 - 4.8-8.2 Violated in 0 structures by 0.00 A. Peak 6221 from nnoeabs.peaks (2.39, 7.63, 113.29 ppm; 3.54 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLN 19 + HE21 GLN 19 OK 100 100 100 100 3.2-3.6 3.5=100 HG2 GLN 19 + HE21 GLN 19 OK 75 75 100 100 2.1-2.8 3.5=100 HB3 LEU 17 - HD21 ASN 20 poor 13 73 35 49 3.7-7.0 6237/5.7=23, ~8595=15...(6) HG2 GLN 19 - HD21 ASN 20 far 0 73 0 - 4.3-7.5 HG3 GLN 19 - HD21 ASN 20 far 0 99 0 - 4.7-7.5 HB2 PHE 41 - HD21 ASN 20 far 0 98 0 - 5.4-9.2 HB3 LEU 17 - HE21 GLN 19 far 0 75 0 - 6.5-8.3 HB2 GLN 81 - HD21 ASN 20 far 0 62 0 - 8.9-11.6 HB2 PHE 41 - HE21 GLN 19 far 0 99 0 - 9.4-15.1 Violated in 0 structures by 0.00 A. Peak 6222 from nnoeabs.peaks (6.94, 7.63, 113.29 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HE22 GLN 19 + HE21 GLN 19 OK 100 100 100 100 1.7-1.7 1.7=100 QD PHE 41 - HD21 ASN 20 far 0 66 0 - 3.5-5.7 QE PHE 41 - HD21 ASN 20 far 0 73 0 - 3.5-6.4 HE22 GLN 19 - HD21 ASN 20 far 0 99 0 - 4.2-9.0 H LEU 17 - HD21 ASN 20 far 0 95 0 - 5.7-9.2 QE PHE 41 - HE21 GLN 19 far 0 75 0 - 6.3-10.8 QD PHE 41 - HE21 GLN 19 far 0 68 0 - 7.6-11.2 H LEU 17 - HE21 GLN 19 far 0 97 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 6223 from nnoeabs.peaks (6.94, 6.94, 113.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 19 + HE22 GLN 19 OK 100 100 - 100 Peak 6226 from nnoeabs.peaks (2.26, 6.94, 113.29 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 19 + HE22 GLN 19 OK 100 100 100 100 3.2-5.3 4.5=100 HG2 GLN 89 - HE22 GLN 19 far 14 96 15 - 5.9-14.9 HG3 GLN 89 - HE22 GLN 19 far 0 84 0 - 6.6-14.8 Violated in 0 structures by 0.00 A. Peak 6227 from nnoeabs.peaks (1.98, 6.94, 113.29 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 19 + HE22 GLN 19 OK 100 100 100 100 4.3-4.8 4.5=100 HB3 GLN 89 - HE22 GLN 19 far 8 84 10 - 6.1-13.7 Violated in 0 structures by 0.00 A. Peak 6228 from nnoeabs.peaks (2.42, 6.94, 113.29 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 19 + HE22 GLN 19 OK 100 100 100 100 3.4-3.7 3.5=100 HG3 GLN 19 + HE22 GLN 19 OK 75 75 100 100 3.9-4.1 3.5=100 HB3 ASN 20 - HE22 GLN 19 far 0 90 0 - 6.1-9.4 Violated in 0 structures by 0.00 A. Peak 6229 from nnoeabs.peaks (2.39, 6.94, 113.29 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 19 + HE22 GLN 19 OK 100 100 100 100 3.9-4.1 3.5=100 HG2 GLN 19 + HE22 GLN 19 OK 75 75 100 100 3.4-3.7 3.5=100 HB3 LEU 17 - HE22 GLN 19 far 0 75 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 6230 from nnoeabs.peaks (7.63, 6.94, 113.29 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 19 + HE22 GLN 19 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 20 - HE22 GLN 19 far 0 100 0 - 4.2-9.0 H LYS 84 - HE22 GLN 19 far 0 82 0 - 9.1-13.8 Violated in 0 structures by 0.00 A. Peak 6231 from nnoeabs.peaks (7.31, 7.31, 113.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASN 20 + H ASN 20 OK 100 100 - 100 HE22 GLN 81 + HE22 GLN 81 OK 38 38 - 100 Peak 6233 from nnoeabs.peaks (4.50, 7.31, 113.99 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 19 + H ASN 20 OK 100 100 100 100 3.1-3.5 3.6=100 HA GLN 19 - HE22 GLN 81 far 0 48 0 - 6.4-12.1 HA GLN 89 - H ASN 20 far 0 100 0 - 8.3-11.2 HA GLN 89 - HE22 GLN 81 far 0 47 0 - 10.0-15.3 Violated in 0 structures by 0.00 A. Peak 6234 from nnoeabs.peaks (2.26, 7.31, 113.99 ppm; 3.97 A increased from 3.74 A): 1 out of 7 assignments used, quality = 0.98: * HB2 GLN 19 + H ASN 20 OK 98 100 100 98 2.9-3.8 4.6=65, 1.8/531=62...(9) HG2 GLN 89 - H ASN 20 far 0 96 0 - 7.8-13.7 HB2 GLN 19 - HE22 GLN 81 far 0 48 0 - 8.2-13.3 HG2 GLN 86 - HE22 GLN 81 far 0 37 0 - 8.5-12.9 HG3 GLN 89 - H ASN 20 far 0 84 0 - 9.0-13.4 HG2 GLN 89 - HE22 GLN 81 far 0 42 0 - 9.2-18.8 HB2 GLN 86 - HE22 GLN 81 far 0 48 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 6235 from nnoeabs.peaks (1.98, 7.31, 113.99 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 19 + H ASN 20 OK 100 100 100 100 4.0-4.5 4.6=100 HB3 GLN 19 - HE22 GLN 81 far 0 48 0 - 7.0-12.3 HB3 GLN 89 - H ASN 20 far 0 84 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 6236 from nnoeabs.peaks (2.42, 7.31, 113.99 ppm; 3.46 A): 1 out of 6 assignments used, quality = 0.80: HB3 ASN 20 + H ASN 20 OK 80 90 100 89 2.8-3.8 4.1=62, 1.8/6241=56...(5) ! HG2 GLN 19 - H ASN 20 far 0 100 0 - 4.1-4.6 HG3 GLN 19 - H ASN 20 far 0 75 0 - 5.1-5.7 HB3 ASN 20 - HE22 GLN 81 far 0 38 0 - 7.6-13.4 HG3 GLN 19 - HE22 GLN 81 far 0 30 0 - 9.3-14.1 HG2 GLN 19 - HE22 GLN 81 far 0 48 0 - 9.5-14.5 Violated in 1 structures by 0.02 A. Peak 6237 from nnoeabs.peaks (2.39, 7.31, 113.99 ppm; 3.58 A increased from 3.37 A): 1 out of 9 assignments used, quality = 0.69: HB3 LEU 17 + H ASN 20 OK 69 75 100 91 3.2-3.6 1.8/8115=61...(7) HB2 GLN 81 - HE22 GLN 81 poor 7 24 30 - 3.3-5.3 HG2 GLN 19 - H ASN 20 far 4 75 5 - 4.1-4.6 ! HG3 GLN 19 - H ASN 20 far 0 100 0 - 5.1-5.7 HB2 PHE 41 - H ASN 20 far 0 99 0 - 7.9-10.5 HB2 GLN 81 - H ASN 20 far 0 63 0 - 9.1-9.8 HG3 GLN 19 - HE22 GLN 81 far 0 48 0 - 9.3-14.1 HG2 GLN 19 - HE22 GLN 81 far 0 30 0 - 9.5-14.5 HB3 LEU 17 - HE22 GLN 81 far 0 30 0 - 9.9-14.3 Violated in 1 structures by 0.00 A. Peak 6239 from nnoeabs.peaks (6.94, 7.31, 113.99 ppm; 6.00 A): 3 out of 5 assignments used, quality = 1.00: * HE22 GLN 19 + H ASN 20 OK 100 100 100 100 5.6-6.5 3.5/540=85, 4.5/6234=83...(6) H LEU 17 + H ASN 20 OK 97 97 100 100 4.4-5.3 4.0/6237=92, 4.0/8115=88...(6) QE PHE 41 + H ASN 20 OK 31 75 50 82 4.7-6.9 10406/6242=61...(3) QD PHE 41 - H ASN 20 far 7 68 10 - 5.7-7.0 HE22 GLN 19 - HE22 GLN 81 far 0 48 0 - 9.1-16.6 Violated in 0 structures by 0.00 A. Peak 6240 from nnoeabs.peaks (5.11, 7.31, 113.99 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 20 + H ASN 20 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASN 20 - HE22 GLN 81 far 0 48 0 - 6.0-10.5 Violated in 0 structures by 0.00 A. Peak 6241 from nnoeabs.peaks (2.21, 7.31, 113.99 ppm; 4.02 A increased from 3.79 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 20 + H ASN 20 OK 100 100 100 100 3.8-4.0 4.1=97, 1.8/6236=89...(4) HG2 GLN 89 - H ASN 20 far 0 65 0 - 7.8-13.7 HB2 ASN 20 - HE22 GLN 81 far 0 48 0 - 7.9-12.4 HG3 GLN 89 - H ASN 20 far 0 84 0 - 9.0-13.4 HG2 GLN 89 - HE22 GLN 81 far 0 25 0 - 9.2-18.8 Violated in 0 structures by 0.00 A. Peak 6242 from nnoeabs.peaks (2.45, 7.31, 113.99 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.94: * HB3 ASN 20 + H ASN 20 OK 94 100 100 94 2.8-3.8 4.1=70, 1.8/6241=62...(5) HG2 GLN 19 - H ASN 20 far 4 90 5 - 4.1-4.6 HB3 ASN 20 - HE22 GLN 81 far 0 48 0 - 7.6-13.4 HG2 GLN 19 - HE22 GLN 81 far 0 38 0 - 9.5-14.5 Violated in 1 structures by 0.01 A. Peak 6245 from nnoeabs.peaks (8.68, 7.31, 113.99 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 21 + H ASN 20 OK 100 100 100 100 4.4-4.4 4.6=100 H VAL 21 - HE22 GLN 81 far 0 48 0 - 7.7-11.9 Violated in 0 structures by 0.00 A. Peak 6246 from nnoeabs.peaks (7.63, 7.63, 113.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 20 + HD21 ASN 20 OK 100 100 - 100 HE21 GLN 19 + HE21 GLN 19 OK 99 99 - 100 Peak 6247 from nnoeabs.peaks (7.31, 7.63, 113.39 ppm; 6.00 A): 2 out of 7 assignments used, quality = 1.00: * H ASN 20 + HD21 ASN 20 OK 100 100 100 100 2.6-4.6 5.7=100 H ASN 20 + HE21 GLN 19 OK 99 99 100 100 3.9-5.6 540/3.5=85, 6234/4.5=83...(11) HE3 TRP 80 - HD21 ASN 20 far 0 99 0 - 7.3-9.7 HE22 GLN 81 - HD21 ASN 20 far 0 90 0 - 9.2-14.2 HH2 TRP 42 - HD21 ASN 20 far 0 68 0 - 9.3-13.7 HE22 GLN 81 - HE21 GLN 19 far 0 88 0 - 9.4-15.2 HZ3 TRP 42 - HD21 ASN 20 far 0 85 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 6249 from nnoeabs.peaks (2.21, 7.63, 113.39 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 20 + HD21 ASN 20 OK 100 100 100 100 2.1-3.5 3.5=100 HB2 ASN 20 - HE21 GLN 19 far 0 99 0 - 6.0-9.1 HG2 GLN 89 - HE21 GLN 19 far 0 64 0 - 6.9-13.8 HG3 GLN 89 - HE21 GLN 19 far 0 82 0 - 7.1-13.7 Violated in 0 structures by 0.00 A. Peak 6250 from nnoeabs.peaks (2.45, 7.63, 113.39 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 20 + HD21 ASN 20 OK 100 100 100 100 2.2-3.6 3.5=100 HG2 GLN 19 + HE21 GLN 19 OK 88 88 100 100 2.1-2.8 3.5=100 HG2 GLN 19 - HD21 ASN 20 poor 18 90 20 - 4.3-7.5 HB3 ASN 20 - HE21 GLN 19 far 0 99 0 - 4.8-8.2 Violated in 0 structures by 0.00 A. Peak 6251 from nnoeabs.peaks (6.53, 7.63, 113.39 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 20 + HD21 ASN 20 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 20 - HE21 GLN 19 poor 14 99 25 55 2.5-7.3 8857/4.5=25, 8858/4.5=24...(5) Violated in 0 structures by 0.00 A. Peak 6252 from nnoeabs.peaks (6.53, 6.53, 113.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 20 + HD22 ASN 20 OK 100 100 - 100 Peak 6255 from nnoeabs.peaks (2.21, 6.53, 113.39 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 20 + HD22 ASN 20 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 6256 from nnoeabs.peaks (2.45, 6.53, 113.39 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 20 + HD22 ASN 20 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 GLN 19 + HD22 ASN 20 OK 85 90 95 100 4.2-7.1 3.0/8857=84, 3.0/8858=80...(8) Violated in 0 structures by 0.00 A. Peak 6257 from nnoeabs.peaks (7.63, 6.53, 113.39 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 20 + HD22 ASN 20 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 19 - HD22 ASN 20 poor 20 100 20 - 2.5-7.3 Violated in 0 structures by 0.00 A. Peak 6258 from nnoeabs.peaks (8.68, 8.68, 116.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 21 + H VAL 21 OK 100 100 - 100 Peak 6260 from nnoeabs.peaks (5.11, 8.68, 116.09 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 20 + H VAL 21 OK 100 100 100 100 2.6-2.6 3.6=100 HA ASP 46 - H VAL 21 far 0 90 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 6261 from nnoeabs.peaks (2.21, 8.68, 116.09 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 20 + H VAL 21 OK 100 100 100 100 2.0-2.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 6262 from nnoeabs.peaks (2.45, 8.68, 116.09 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.97: * HB3 ASN 20 + H VAL 21 OK 97 100 100 97 2.5-3.4 570=94, 6242/6245=50 HG2 GLN 19 - H VAL 21 far 0 90 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 6265 from nnoeabs.peaks (4.45, 8.68, 116.09 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 21 + H VAL 21 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6267 from nnoeabs.peaks (0.31, 8.68, 116.09 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.93: * QG1 VAL 21 + H VAL 21 OK 93 100 100 93 2.1-2.4 583=84, 8872/3.6=26...(5) QG2 VAL 76 - H VAL 21 far 0 96 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 6268 from nnoeabs.peaks (0.70, 8.68, 116.09 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 21 + H VAL 21 OK 100 100 100 100 3.9-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 6269 from nnoeabs.peaks (8.46, 8.68, 116.09 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 22 + H VAL 21 OK 100 100 100 100 3.8-4.0 4.6=100 H ASN 78 - H VAL 21 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 6270 from nnoeabs.peaks (8.46, 8.46, 129.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H ALA 22 OK 100 100 - 100 Peak 6272 from nnoeabs.peaks (4.45, 8.46, 129.29 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 21 + H ALA 22 OK 100 100 100 100 2.1-2.2 3.5=100 Violated in 0 structures by 0.00 A. Peak 6275 from nnoeabs.peaks (0.70, 8.46, 129.29 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 21 + H ALA 22 OK 100 100 100 100 2.9-3.1 594=100, 3.2/576=69...(7) Violated in 0 structures by 0.00 A. Peak 6276 from nnoeabs.peaks (5.61, 8.46, 129.29 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 22 + H ALA 22 OK 100 100 100 100 2.9-2.9 3.0=100 HA TRP 42 - H ALA 22 far 0 98 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 6277 from nnoeabs.peaks (0.13, 8.46, 129.29 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * QB ALA 22 + H ALA 22 OK 100 100 100 100 2.2-2.3 2.9=100 QD1 LEU 15 + H ALA 22 OK 89 99 95 95 4.0-4.8 ~8125=38, 4.8/11193=32...(13) Violated in 0 structures by 0.00 A. Peak 6278 from nnoeabs.peaks (8.80, 8.46, 129.29 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + H ALA 22 OK 100 100 100 100 4.5-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 6279 from nnoeabs.peaks (8.80, 8.80, 113.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + H ILE 23 OK 100 100 - 100 Peak 6281 from nnoeabs.peaks (5.61, 8.80, 113.81 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 22 + H ILE 23 OK 100 100 100 100 2.2-2.2 598=94, 2.1/602=69...(9) HA TRP 42 - H ILE 23 far 0 98 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 6282 from nnoeabs.peaks (0.13, 8.80, 113.81 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 22 + H ILE 23 OK 100 100 100 100 2.8-3.0 3.7=100 QD1 LEU 15 - H ILE 23 far 0 99 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 6283 from nnoeabs.peaks (5.50, 8.80, 113.81 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 23 + H ILE 23 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6284 from nnoeabs.peaks (1.77, 8.80, 113.81 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 23 + H ILE 23 OK 100 100 100 100 3.8-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 6285 from nnoeabs.peaks (0.80, 8.80, 113.81 ppm; 3.92 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 23 + H ILE 23 OK 100 100 100 100 2.7-2.8 4.0=93, 620/3.0=76...(11) QD1 LEU 17 - H ILE 23 far 0 71 0 - 6.2-6.6 HG LEU 15 - H ILE 23 far 0 61 0 - 7.9-8.5 QD2 LEU 17 - H ILE 23 far 0 57 0 - 8.3-8.9 QG2 VAL 102 - H ILE 23 far 0 65 0 - 8.8-9.3 QD1 LEU 109 - H ILE 23 far 0 61 0 - 9.0-18.0 QG2 VAL 69 - H ILE 23 far 0 87 0 - 9.8-9.9 Violated in 0 structures by 0.00 A. Peak 6286 from nnoeabs.peaks (1.72, 8.80, 113.81 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 23 + H ILE 23 OK 100 100 100 100 3.0-3.3 627=100, 1.8/635=85...(13) HB VAL 25 - H ILE 23 far 0 98 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 6287 from nnoeabs.peaks (1.23, 8.80, 113.81 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 23 + H ILE 23 OK 100 100 100 100 2.1-2.2 635=100, 1.8/627=71...(12) HB3 LEU 15 - H ILE 23 far 0 100 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 6288 from nnoeabs.peaks (0.75, 8.80, 113.81 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 23 + H ILE 23 OK 100 100 100 100 3.8-3.9 643=100, 2.1/635=81...(11) QD2 LEU 109 - H ILE 23 far 0 100 0 - 8.8-19.3 QG2 VAL 69 - H ILE 23 far 0 85 0 - 9.8-9.9 Violated in 0 structures by 0.00 A. Peak 6290 from nnoeabs.peaks (8.92, 8.92, 123.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 24 + H ALA 24 OK 100 100 - 100 Peak 6291 from nnoeabs.peaks (8.80, 8.92, 123.89 ppm; 4.56 A increased from 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + H ALA 24 OK 100 100 100 100 4.5-4.5 4.7=94, 3.0/6292=89...(12) Violated in 0 structures by 0.00 A. Peak 6292 from nnoeabs.peaks (5.50, 8.92, 123.89 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.98: * HA ILE 23 + H ALA 24 OK 98 100 100 98 2.4-2.5 3.6=64, 3.0/6293=38...(13) Violated in 0 structures by 0.00 A. Peak 6293 from nnoeabs.peaks (1.77, 8.92, 123.89 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 23 + H ALA 24 OK 100 100 100 100 2.2-2.5 618=99, 3.0/6292=67...(19) HB3 LEU 36 - H ALA 24 far 0 81 0 - 8.5-8.9 HG LEU 55 - H ALA 24 far 0 75 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 6294 from nnoeabs.peaks (0.80, 8.92, 123.89 ppm; 3.76 A increased from 3.34 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 23 + H ALA 24 OK 100 100 100 100 3.7-3.8 2.1/6293=70, 620/6292=69...(17) QG2 VAL 102 - H ALA 24 far 0 65 0 - 6.3-7.1 QG2 VAL 69 - H ALA 24 far 0 87 0 - 7.0-7.4 QD1 ILE 11 - H ALA 24 far 0 63 0 - 7.9-8.9 HG LEU 15 - H ALA 24 far 0 61 0 - 8.1-9.0 QD2 LEU 36 - H ALA 24 far 0 98 0 - 8.7-8.9 QD1 LEU 17 - H ALA 24 far 0 71 0 - 9.2-9.5 HG2 LYS 52 - H ALA 24 far 0 99 0 - 9.8-12.0 QD1 LEU 109 - H ALA 24 far 0 61 0 - 9.9-15.6 Violated in 2 structures by 0.00 A. Peak 6295 from nnoeabs.peaks (1.72, 8.92, 123.89 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 23 + H ALA 24 OK 100 100 100 100 3.1-3.6 2.1/650=83, 629/618=81...(12) HB VAL 25 - H ALA 24 far 0 98 0 - 5.5-5.7 HB3 LEU 36 - H ALA 24 far 0 84 0 - 8.5-8.9 HG LEU 55 - H ALA 24 far 0 88 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 6297 from nnoeabs.peaks (0.75, 8.92, 123.89 ppm; 4.44 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 23 + H ALA 24 OK 100 100 100 100 3.9-4.2 650=100, 645/6293=76...(13) QG2 VAL 69 - H ALA 24 far 0 85 0 - 7.0-7.4 QD1 ILE 11 - H ALA 24 far 0 98 0 - 7.9-8.9 QD2 LEU 36 - H ALA 24 far 0 65 0 - 8.7-8.9 HG2 LYS 52 - H ALA 24 far 0 59 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 6298 from nnoeabs.peaks (4.25, 8.92, 123.89 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 24 + H ALA 24 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 102 - H ALA 24 far 0 99 0 - 6.9-7.5 HA SER 38 - H ALA 24 far 0 98 0 - 7.5-7.9 HA ALA 47 - H ALA 24 far 0 85 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 6299 from nnoeabs.peaks (0.20, 8.92, 123.89 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 24 + H ALA 24 OK 100 100 100 100 2.8-2.8 2.9=100 QG1 VAL 102 - H ALA 24 far 0 79 0 - 4.8-5.3 Violated in 0 structures by 0.00 A. Peak 6301 from nnoeabs.peaks (7.45, 7.45, 115.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 25 + H VAL 25 OK 100 100 - 100 Peak 6302 from nnoeabs.peaks (8.92, 7.45, 115.93 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 24 + H VAL 25 OK 100 100 100 100 4.0-4.4 4.6=100 H LEU 15 - H VAL 25 far 0 82 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 6303 from nnoeabs.peaks (4.25, 7.45, 115.93 ppm; 3.30 A): 1 out of 4 assignments used, quality = 0.98: * HA ALA 24 + H VAL 25 OK 98 100 100 98 2.1-2.5 654=86, 2.1/6304=61...(11) HA SER 38 - H VAL 25 far 0 98 0 - 5.2-6.3 HA ALA 47 - H VAL 25 far 0 85 0 - 8.2-9.4 HA VAL 102 - H VAL 25 far 0 99 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 6304 from nnoeabs.peaks (0.20, 7.45, 115.93 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.99: * QB ALA 24 + H VAL 25 OK 99 100 100 99 2.2-3.3 3.5=92, 2.1/6303=70...(10) QG1 VAL 102 - H VAL 25 far 0 79 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 6305 from nnoeabs.peaks (5.11, 7.45, 115.93 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + H VAL 25 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6306 from nnoeabs.peaks (1.71, 7.45, 115.93 ppm; 3.50 A): 1 out of 4 assignments used, quality = 0.98: * HB VAL 25 + H VAL 25 OK 98 100 100 98 2.2-2.7 665=82, 2.1/671=37...(9) HB3 LEU 36 - H VAL 25 far 0 59 0 - 4.5-4.9 HG12 ILE 23 - H VAL 25 far 0 98 0 - 4.6-5.7 HG LEU 55 - H VAL 25 far 0 65 0 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 6307 from nnoeabs.peaks (0.85, 7.45, 115.93 ppm; 3.75 A increased from 3.33 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 25 + H VAL 25 OK 100 100 100 100 3.0-3.6 4.0=82, 2.1/6306=75...(10) QD1 LEU 51 + H VAL 25 OK 90 99 100 91 2.5-3.7 671=43, 668/6306=29...(10) QD1 LEU 12 - H VAL 25 far 5 100 5 - 4.0-4.8 QG1 VAL 103 - H VAL 25 far 0 87 0 - 6.6-8.4 QG2 ILE 11 - H VAL 25 far 0 100 0 - 7.4-7.9 QG2 VAL 102 - H VAL 25 far 0 99 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 6308 from nnoeabs.peaks (0.97, 7.45, 115.93 ppm; 3.77 A increased from 3.55 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 25 + H VAL 25 OK 100 100 100 100 3.5-3.6 4.0=83, 2.1/6306=75...(11) QG2 THR 37 + H VAL 25 OK 89 90 100 99 3.3-3.7 8266=90, 3.0/8959=49...(8) HB2 LEU 15 - H VAL 25 far 0 94 0 - 8.6-9.2 QG1 VAL 14 - H VAL 25 far 0 82 0 - 8.7-9.0 QG1 VAL 76 - H VAL 25 far 0 70 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6309 from nnoeabs.peaks (9.00, 7.45, 115.93 ppm; 5.56 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 26 + H VAL 25 OK 100 100 100 100 4.1-4.5 4.6=100 H ILE 11 - H VAL 25 far 0 73 0 - 6.4-6.8 H SER 34 - H VAL 25 far 0 98 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 6310 from nnoeabs.peaks (9.00, 9.00, 126.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 26 + H ASP 26 OK 100 100 - 100 Peak 6312 from nnoeabs.peaks (5.11, 9.00, 126.86 ppm; 2.96 A): 1 out of 1 assignment used, quality = 0.94: * HA VAL 25 + H ASP 26 OK 94 100 100 94 2.1-2.1 664=66, 678/6315=44...(10) Violated in 0 structures by 0.00 A. Peak 6313 from nnoeabs.peaks (1.71, 9.00, 126.86 ppm; 4.54 A): 2 out of 4 assignments used, quality = 1.00: * HB VAL 25 + H ASP 26 OK 100 100 100 100 4.4-4.5 4.4=100 HB3 LEU 36 + H ASP 26 OK 55 59 95 97 4.9-5.1 8161/3.0=59, 679/6315=30...(11) HG LEU 55 - H ASP 26 far 0 65 0 - 8.1-8.6 HG12 ILE 23 - H ASP 26 far 0 98 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 6314 from nnoeabs.peaks (0.85, 9.00, 126.86 ppm; 3.76 A increased from 3.34 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 25 + H ASP 26 OK 100 100 100 100 3.5-3.6 2.1/6315=84, 4.1=75...(11) QG2 ILE 11 - H ASP 26 far 15 100 15 - 4.3-4.6 QG1 VAL 103 - H ASP 26 far 0 87 0 - 4.7-6.3 QD1 LEU 12 - H ASP 26 far 0 100 0 - 5.0-5.3 QD1 LEU 51 - H ASP 26 far 0 99 0 - 5.3-5.7 QG2 VAL 102 - H ASP 26 far 0 99 0 - 7.9-8.2 QD1 LEU 109 - H ASP 26 far 0 100 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 6315 from nnoeabs.peaks (0.97, 9.00, 126.86 ppm; 3.09 A): 1 out of 4 assignments used, quality = 0.97: * QG1 VAL 25 + H ASP 26 OK 97 100 100 97 2.7-2.9 682=60, 678/6312=50...(14) QG2 THR 37 - H ASP 26 far 0 90 0 - 5.4-5.8 HG13 ILE 28 - H ASP 26 far 0 91 0 - 6.1-6.4 QG1 VAL 14 - H ASP 26 far 0 82 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 6316 from nnoeabs.peaks (5.31, 9.00, 126.86 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 26 + H ASP 26 OK 100 100 100 100 2.9-2.9 3.0=100 HA PHE 10 - H ASP 26 far 0 99 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 6317 from nnoeabs.peaks (2.32, 9.00, 126.86 ppm; 3.50 A): 2 out of 5 assignments used, quality = 0.99: HB3 ASP 26 + H ASP 26 OK 91 100 100 91 3.5-3.6 4.0=65, 6323/4.7=34...(10) * HB2 ASP 26 + H ASP 26 OK 89 100 100 89 2.2-2.3 4.0=65, 1.8/693=18...(12) HG2 GLN 72 - H ASP 26 far 0 82 0 - 7.5-7.8 HB2 GLU 101 - H ASP 26 far 0 70 0 - 9.5-10.2 HG2 GLU 54 - H ASP 26 far 0 84 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 6318 from nnoeabs.peaks (2.33, 9.00, 126.86 ppm; 3.54 A): 2 out of 5 assignments used, quality = 0.99: * HB3 ASP 26 + H ASP 26 OK 92 100 100 92 3.5-3.6 4.0=68, 6324/4.7=35...(10) HB2 ASP 26 + H ASP 26 OK 90 100 100 91 2.2-2.3 4.0=68, 1.8/693=19...(12) HG2 GLN 72 - H ASP 26 far 0 73 0 - 7.5-7.8 HB2 GLU 101 - H ASP 26 far 0 79 0 - 9.5-10.2 HG2 GLU 54 - H ASP 26 far 0 91 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 6319 from nnoeabs.peaks (9.18, 9.00, 126.86 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 27 + H ASP 26 OK 100 100 100 100 4.5-4.6 6322/3.0=87, 4.7=82...(10) H LEU 12 + H ASP 26 OK 93 95 100 98 3.9-4.1 3.0/10319=63...(9) Violated in 0 structures by 0.00 A. Peak 6320 from nnoeabs.peaks (9.18, 9.18, 119.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 27 + H GLN 27 OK 100 100 - 100 Peak 6321 from nnoeabs.peaks (9.00, 9.18, 119.24 ppm; 3.55 A increased from 3.34 A): 1 out of 3 assignments used, quality = 0.98: H SER 34 + H GLN 27 OK 98 98 100 100 3.2-3.5 8228=90, 8216/6324=40...(15) ! H ASP 26 - H GLN 27 far 0 100 0 - 4.5-4.6 H ILE 11 - H GLN 27 far 0 73 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 6322 from nnoeabs.peaks (5.31, 9.18, 119.24 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.96: * HA ASP 26 + H GLN 27 OK 96 100 100 96 2.2-2.4 687=69, 3.0/6323=40...(19) HA PHE 10 - H GLN 27 far 0 99 0 - 4.4-4.6 Violated in 0 structures by 0.00 A. Peak 6323 from nnoeabs.peaks (2.32, 9.18, 119.24 ppm; 3.27 A): 1 out of 3 assignments used, quality = 0.96: HB3 ASP 26 + H GLN 27 OK 96 100 100 96 2.6-3.2 3.0/6322=56, 4.4=40...(13) ! HB2 ASP 26 - H GLN 27 far 0 100 0 - 3.9-4.3 HG2 GLU 54 - H GLN 27 far 0 84 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6324 from nnoeabs.peaks (2.33, 9.18, 119.24 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.96: * HB3 ASP 26 + H GLN 27 OK 96 100 100 96 2.6-3.2 3.0/6322=57, 4.4=41...(13) HB2 ASP 26 - H GLN 27 far 0 100 0 - 3.9-4.3 HG2 GLU 54 - H GLN 27 far 0 91 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6325 from nnoeabs.peaks (5.03, 9.18, 119.24 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 27 + H GLN 27 OK 100 100 100 100 2.9-2.9 2.9=100 HA PRO 35 + H GLN 27 OK 69 93 100 74 3.3-3.4 8549/6322=45...(6) Violated in 0 structures by 0.00 A. Peak 6326 from nnoeabs.peaks (1.97, 9.18, 119.24 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLN 27 + H GLN 27 OK 97 100 100 97 2.2-2.4 4.0=50, 3.0/6329=32...(19) * HB2 GLN 27 + H GLN 27 OK 96 100 100 96 3.3-3.7 4.0=50, 3.0/6329=32...(18) HB VAL 69 - H GLN 27 far 0 100 0 - 8.6-9.0 HB2 GLU 54 - H GLN 27 far 0 94 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6327 from nnoeabs.peaks (1.98, 9.18, 119.24 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 27 + H GLN 27 OK 97 100 100 97 2.2-2.4 4.0=50, 3.0/6329=32...(19) HB2 GLN 27 + H GLN 27 OK 96 100 100 96 3.3-3.7 4.0=50, 3.0/6329=32...(18) HB VAL 69 - H GLN 27 far 0 100 0 - 8.6-9.0 HB2 GLU 54 - H GLN 27 far 0 91 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6328 from nnoeabs.peaks (2.07, 9.18, 119.24 ppm; 4.47 A increased from 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 27 + H GLN 27 OK 100 100 100 100 3.1-4.5 725=100, 1.8/6329=80...(16) HG2 PRO 35 - H GLN 27 far 0 99 0 - 6.7-6.8 Violated in 1 structures by 0.00 A. Peak 6329 from nnoeabs.peaks (2.18, 9.18, 119.24 ppm; 4.37 A increased from 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 27 + H GLN 27 OK 100 100 100 100 3.1-4.5 734=100, 1.8/725=77...(16) HB2 PRO 35 - H GLN 27 far 0 100 0 - 5.5-5.6 Violated in 1 structures by 0.01 A. Peak 6332 from nnoeabs.peaks (8.52, 9.18, 119.24 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 28 + H GLN 27 OK 100 100 100 100 4.2-4.4 6350=100, 6351/2.9=92...(14) H SER 9 - H GLN 27 far 0 98 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 6333 from nnoeabs.peaks (7.17, 7.17, 109.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 27 + HE21 GLN 27 OK 100 100 - 100 Peak 6336 from nnoeabs.peaks (1.97, 7.17, 109.31 ppm; 3.96 A increased from 3.73 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 27 + HE21 GLN 27 OK 100 100 100 100 3.7-4.1 3.0/6339=72, 3.0/6338=72...(14) HB3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 4.3-4.4 3.0/6339=72, 3.0/6338=72...(13) HB VAL 6 - HE21 GLN 27 far 0 93 0 - 7.8-8.7 HB2 LYS 31 - HE21 GLN 27 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 6337 from nnoeabs.peaks (1.98, 7.17, 109.31 ppm; 3.96 A increased from 3.73 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLN 27 + HE21 GLN 27 OK 100 100 100 100 3.7-4.1 3.0/6339=72, 3.0/6338=72...(14) * HB3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 4.3-4.4 3.0/6339=72, 3.0/6338=72...(13) HB VAL 6 - HE21 GLN 27 far 0 96 0 - 7.8-8.7 HB2 LYS 31 - HE21 GLN 27 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 6338 from nnoeabs.peaks (2.07, 7.17, 109.31 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.99: * HG2 GLN 27 + HE21 GLN 27 OK 99 100 100 99 2.1-3.1 3.5=79, 1.8/6339=71...(15) HG2 PRO 35 - HE21 GLN 27 far 0 99 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 6339 from nnoeabs.peaks (2.18, 7.17, 109.31 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLN 27 + HE21 GLN 27 OK 99 100 100 99 2.1-3.1 3.5=76, 1.8/6338=69...(14) HB2 PRO 35 - HE21 GLN 27 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 6340 from nnoeabs.peaks (6.69, 7.17, 109.31 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 27 + HE21 GLN 27 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6341 from nnoeabs.peaks (6.69, 6.69, 109.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 27 + HE22 GLN 27 OK 100 100 - 100 Peak 6344 from nnoeabs.peaks (1.97, 6.69, 109.31 ppm; 4.52 A increased from 4.02 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 27 + HE22 GLN 27 OK 99 100 100 99 4.3-4.6 4.5=99 HB3 GLN 27 + HE22 GLN 27 OK 99 100 100 99 4.5-4.6 4.5=99 HB VAL 6 - HE22 GLN 27 far 0 93 0 - 8.6-9.3 HB2 LYS 31 - HE22 GLN 27 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6345 from nnoeabs.peaks (1.98, 6.69, 109.31 ppm; 4.52 A increased from 4.02 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 27 + HE22 GLN 27 OK 99 100 100 99 4.5-4.6 4.5=99 HB2 GLN 27 + HE22 GLN 27 OK 99 100 100 99 4.3-4.6 4.5=99 HB VAL 6 - HE22 GLN 27 far 0 96 0 - 8.6-9.3 HB2 LYS 31 - HE22 GLN 27 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6346 from nnoeabs.peaks (2.07, 6.69, 109.31 ppm; 3.89 A increased from 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 27 + HE22 GLN 27 OK 100 100 100 100 3.4-3.9 3.5=100 HG2 PRO 35 - HE22 GLN 27 far 0 99 0 - 8.8-9.5 Violated in 2 structures by 0.00 A. Peak 6347 from nnoeabs.peaks (2.18, 6.69, 109.31 ppm; 4.05 A increased from 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 27 + HE22 GLN 27 OK 100 100 100 100 3.4-3.9 3.5=100 HB2 PRO 35 - HE22 GLN 27 far 0 100 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6348 from nnoeabs.peaks (7.17, 6.69, 109.31 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 27 + HE22 GLN 27 OK 100 100 100 100 1.7-1.7 1.7=100 HD1 TRP 60 - HE22 GLN 27 far 0 91 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 6349 from nnoeabs.peaks (8.52, 8.52, 126.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 28 + H ILE 28 OK 100 100 - 100 Peak 6350 from nnoeabs.peaks (9.18, 8.52, 126.46 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 27 + H ILE 28 OK 100 100 100 100 4.2-4.4 6332=92, 2.9/6351=89...(14) H LEU 12 - H ILE 28 far 0 95 0 - 7.6-7.7 Violated in 3 structures by 0.00 A. Peak 6351 from nnoeabs.peaks (5.03, 8.52, 126.46 ppm; 2.79 A): 1 out of 2 assignments used, quality = 0.97: * HA GLN 27 + H ILE 28 OK 97 100 100 97 2.1-2.2 706=66, 8045/8176=29...(14) HA PRO 35 - H ILE 28 far 0 93 0 - 7.5-7.6 Violated in 0 structures by 0.00 A. Peak 6352 from nnoeabs.peaks (1.97, 8.52, 126.46 ppm; 4.04 A increased from 3.40 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 27 + H ILE 28 OK 100 100 100 100 3.8-4.1 3.0/6351=82, 4.6=67...(12) HB3 GLN 27 + H ILE 28 OK 100 100 100 100 4.6-4.6 3.0/6351=82, 4.6=67...(12) HB VAL 69 - H ILE 28 far 0 100 0 - 8.5-8.8 HB VAL 6 - H ILE 28 far 0 93 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6353 from nnoeabs.peaks (1.98, 8.52, 126.46 ppm; 4.04 A increased from 3.40 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLN 27 + H ILE 28 OK 100 100 100 100 3.8-4.1 3.0/6351=82, 4.6=67...(12) * HB3 GLN 27 + H ILE 28 OK 100 100 100 100 4.6-4.6 3.0/6351=82, 4.6=67...(12) HB VAL 69 - H ILE 28 far 0 100 0 - 8.5-8.8 HB VAL 6 - H ILE 28 far 0 96 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6354 from nnoeabs.peaks (2.07, 8.52, 126.46 ppm; 4.55 A increased from 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 27 + H ILE 28 OK 100 100 100 100 3.7-4.4 733=100, 1.8/742=83...(13) Violated in 0 structures by 0.00 A. Peak 6355 from nnoeabs.peaks (2.18, 8.52, 126.46 ppm; 4.35 A increased from 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 27 + H ILE 28 OK 100 100 100 100 3.7-4.4 742=100, 1.8/733=82...(11) HB2 PRO 35 - H ILE 28 far 0 100 0 - 9.6-9.7 Violated in 1 structures by 0.00 A. Peak 6358 from nnoeabs.peaks (4.25, 8.52, 126.46 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 28 + H ILE 28 OK 100 100 100 100 2.8-2.8 3.0=100 HA VAL 29 - H ILE 28 far 0 95 0 - 5.5-5.6 Violated in 0 structures by 0.00 A. Peak 6359 from nnoeabs.peaks (1.62, 8.52, 126.46 ppm; 2.99 A): 1 out of 3 assignments used, quality = 0.99: * HB ILE 28 + H ILE 28 OK 99 100 100 99 2.4-2.5 751=47, 3.0/6361=42...(21) HB ILE 11 - H ILE 28 far 0 99 0 - 5.7-5.9 HD2 LYS 58 - H ILE 28 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 6360 from nnoeabs.peaks (0.78, 8.52, 126.46 ppm; 3.88 A increased from 3.27 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 28 + H ILE 28 OK 100 100 100 100 3.7-3.8 4.0=89, 2.1/6359=89...(18) QD1 ILE 11 + H ILE 28 OK 95 96 100 100 2.3-4.0 8743=77, 2.1/8742=55...(15) QD2 LEU 36 - H ILE 28 far 0 99 0 - 4.9-5.1 QG1 VAL 29 - H ILE 28 far 0 77 0 - 6.7-6.7 QG2 VAL 69 - H ILE 28 far 0 100 0 - 7.5-7.7 HB3 LEU 55 - H ILE 28 far 0 98 0 - 9.3-9.8 QD2 LEU 109 - H ILE 28 far 0 81 0 - 9.5-21.8 Violated in 0 structures by 0.00 A. Peak 6361 from nnoeabs.peaks (1.27, 8.52, 126.46 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 28 + H ILE 28 OK 100 100 100 100 2.7-2.8 767=91, 1.8/6362=67...(22) Violated in 0 structures by 0.00 A. Peak 6362 from nnoeabs.peaks (0.95, 8.52, 126.46 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 28 + H ILE 28 OK 100 100 100 100 2.7-2.8 775=84, 1.8/6361=75...(20) QG1 VAL 25 - H ILE 28 far 0 91 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 6363 from nnoeabs.peaks (0.68, 8.52, 126.46 ppm; 4.19 A increased from 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 28 + H ILE 28 OK 100 100 100 100 4.0-4.0 2.1/6361=90, 2.1/6362=88...(20) Violated in 0 structures by 0.00 A. Peak 6364 from nnoeabs.peaks (8.20, 8.52, 126.46 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 29 + H ILE 28 OK 100 100 100 100 4.6-4.6 750/3.0=83, 4.7=67...(10) H PHE 10 + H ILE 28 OK 91 91 100 100 3.5-3.6 6068=89, 3.0/8176=72...(13) Violated in 0 structures by 0.00 A. Peak 6365 from nnoeabs.peaks (8.20, 8.20, 128.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + H VAL 29 OK 100 100 - 100 Peak 6366 from nnoeabs.peaks (8.52, 8.20, 128.13 ppm; 4.69 A increased from 3.95 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 28 + H VAL 29 OK 100 100 100 100 4.6-4.6 4.7=100 H SER 9 + H VAL 29 OK 82 98 100 84 4.5-4.7 8034/6369=49...(4) Violated in 0 structures by 0.00 A. Peak 6367 from nnoeabs.peaks (4.25, 8.20, 128.13 ppm; 2.46 A): 2 out of 2 assignments used, quality = 0.99: * HA ILE 28 + H VAL 29 OK 95 100 100 95 2.2-2.2 750=68, 3.2/6369=31...(12) HA VAL 29 + H VAL 29 OK 84 95 100 89 2.9-2.9 3.0=58, 3.0/6374=30...(9) Violated in 0 structures by 0.00 A. Peak 6368 from nnoeabs.peaks (1.62, 8.20, 128.13 ppm; 4.20 A increased from 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 28 + H VAL 29 OK 100 100 100 100 4.0-4.1 2.1/6369=98, 3.0/750=85...(10) HB ILE 11 - H VAL 29 far 0 99 0 - 8.5-8.7 HD2 LYS 31 - H VAL 29 far 0 100 0 - 8.6-9.7 HD3 LYS 31 - H VAL 29 far 0 100 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 6369 from nnoeabs.peaks (0.78, 8.20, 128.13 ppm; 2.73 A): 1 out of 5 assignments used, quality = 0.97: * QG2 ILE 28 + H VAL 29 OK 97 100 100 97 2.2-2.4 766=70, 3.2/750=38...(13) QG1 VAL 29 - H VAL 29 far 0 77 0 - 3.8-3.8 QD1 ILE 11 - H VAL 29 far 0 96 0 - 4.8-5.1 QD2 LEU 36 - H VAL 29 far 0 99 0 - 8.1-8.2 QD2 LEU 109 - H VAL 29 far 0 81 0 - 9.2-22.9 Violated in 0 structures by 0.00 A. Peak 6370 from nnoeabs.peaks (1.27, 8.20, 128.13 ppm; 4.00 A): 0 out of 1 assignment used, quality = 0.00: ! HG12 ILE 28 - H VAL 29 far 0 100 0 - 5.2-5.3 Violated in 20 structures by 1.26 A. Peak 6371 from nnoeabs.peaks (0.95, 8.20, 128.13 ppm; 4.37 A increased from 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 28 + H VAL 29 OK 100 100 100 100 4.2-4.3 3.2/6369=87, 748/750=79...(10) QG1 VAL 25 - H VAL 29 far 0 91 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 6372 from nnoeabs.peaks (0.68, 8.20, 128.13 ppm; 4.22 A increased from 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 28 + H VAL 29 OK 100 100 100 100 4.0-4.1 9104/11214=79...(12) Violated in 0 structures by 0.00 A. Peak 6373 from nnoeabs.peaks (4.24, 8.20, 128.13 ppm; 2.63 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 29 + H VAL 29 OK 94 100 100 94 2.9-2.9 3.0=70, 804/803=35...(10) HA ILE 28 + H VAL 29 OK 93 95 100 98 2.2-2.2 750=78, 3.2/6369=36...(12) Violated in 0 structures by 0.00 A. Peak 6374 from nnoeabs.peaks (1.81, 8.20, 128.13 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 29 + H VAL 29 OK 100 100 100 100 2.7-2.8 797=90, 2.1/803=56...(11) HB3 GLU 110 - H VAL 29 far 0 96 0 - 9.2-28.4 Violated in 0 structures by 0.00 A. Peak 6375 from nnoeabs.peaks (0.72, 8.20, 128.13 ppm; 3.29 A increased from 2.77 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 29 + H VAL 29 OK 100 100 100 100 3.2-3.3 803=100, 2.1/6374=70...(13) QG1 VAL 29 + H VAL 29 OK 82 82 100 100 3.8-3.8 2.1/6374=70, 2.1/803=65...(13) QD2 LEU 109 - H VAL 29 far 0 79 0 - 9.2-22.9 Violated in 0 structures by 0.00 A. Peak 6376 from nnoeabs.peaks (0.75, 8.20, 128.13 ppm; 2.69 A): 2 out of 6 assignments used, quality = 0.93: QG2 VAL 29 + H VAL 29 OK 75 82 95 96 3.2-3.3 2.1/6374=48, 803=45...(13) QG2 ILE 28 + H VAL 29 OK 72 77 100 93 2.2-2.4 766=51, 3.2/750=37...(12) ! QG1 VAL 29 - H VAL 29 far 0 100 0 - 3.8-3.8 QD1 ILE 11 - H VAL 29 far 0 97 0 - 4.8-5.1 QD2 LEU 36 - H VAL 29 far 0 61 0 - 8.1-8.2 QD2 LEU 109 - H VAL 29 far 0 100 0 - 9.2-22.9 Violated in 0 structures by 0.00 A. Peak 6378 from nnoeabs.peaks (8.94, 8.94, 117.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 30 + H GLY 30 OK 100 100 - 100 Peak 6380 from nnoeabs.peaks (4.24, 8.94, 117.10 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 29 + H GLY 30 OK 100 100 100 100 2.3-2.3 3.5=100 HA ILE 28 - H GLY 30 far 0 95 0 - 6.4-6.4 Violated in 0 structures by 0.00 A. Peak 6382 from nnoeabs.peaks (0.72, 8.94, 117.10 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 29 + H GLY 30 OK 100 100 100 100 3.5-3.6 4.2=100 QG1 VAL 29 + H GLY 30 OK 82 82 100 100 1.8-1.8 4.2=100 Violated in 0 structures by 0.00 A. Peak 6383 from nnoeabs.peaks (0.75, 8.94, 117.10 ppm; 5.35 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 29 + H GLY 30 OK 100 100 100 100 1.8-1.8 4.2=100 QG2 VAL 29 + H GLY 30 OK 82 82 100 100 3.5-3.6 4.2=100 QG2 ILE 28 + H GLY 30 OK 63 77 100 82 4.5-4.5 766/4.6=62, 760/3.5=32...(4) QD1 ILE 11 - H GLY 30 far 0 97 0 - 8.3-8.7 QD2 LEU 36 - H GLY 30 far 0 61 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 6384 from nnoeabs.peaks (3.61, 8.94, 117.10 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 30 + H GLY 30 OK 100 100 100 100 2.3-2.3 2.9=100 HB2 SER 9 - H GLY 30 far 0 70 0 - 6.8-8.3 HB3 SER 9 - H GLY 30 far 0 65 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 6385 from nnoeabs.peaks (3.92, 8.94, 117.10 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 30 + H GLY 30 OK 100 100 100 100 2.7-2.7 2.9=100 HB THR 33 - H GLY 30 far 0 77 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 6401 from nnoeabs.peaks (8.00, 8.00, 109.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + H GLY 32 OK 100 100 - 100 Peak 6403 from nnoeabs.peaks (4.31, 8.00, 109.20 ppm; 3.60 A increased from 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + H GLY 32 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6404 from nnoeabs.peaks (1.98, 8.00, 109.20 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 31 + H GLY 32 OK 100 100 100 100 3.1-3.3 1.8/6405=78, 4.6=73...(7) HB VAL 6 - H GLY 32 far 0 96 0 - 9.4-13.6 HB3 GLN 27 - H GLY 32 far 0 100 0 - 9.7-10.1 HB2 GLN 27 - H GLY 32 far 0 100 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6405 from nnoeabs.peaks (1.67, 8.00, 109.20 ppm; 4.12 A increased from 3.88 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LYS 31 + H GLY 32 OK 99 100 100 99 3.6-3.9 1.8/6404=75, 826/833=73...(6) Violated in 0 structures by 0.00 A. Peak 6406 from nnoeabs.peaks (1.42, 8.00, 109.20 ppm; 5.75 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 31 + H GLY 32 OK 100 100 100 100 5.0-5.4 1.8/877=94, 3.0/6405=94...(6) HG13 ILE 11 - H GLY 32 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 6407 from nnoeabs.peaks (1.37, 8.00, 109.20 ppm; 5.09 A increased from 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 31 + H GLY 32 OK 100 100 100 100 4.7-5.0 877=100, 828/833=94...(6) Violated in 0 structures by 0.00 A. Peak 6412 from nnoeabs.peaks (4.45, 8.00, 109.20 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 32 + H GLY 32 OK 100 100 100 100 2.7-2.9 3.0=97, 1.8/6413=70...(7) Violated in 0 structures by 0.00 A. Peak 6413 from nnoeabs.peaks (3.83, 8.00, 109.20 ppm; 2.83 A): 1 out of 1 assignment used, quality = 0.98: * HA3 GLY 32 + H GLY 32 OK 98 100 100 98 2.7-2.9 3.0=88, 1.8/6412=63...(9) Violated in 1 structures by 0.00 A. Peak 6414 from nnoeabs.peaks (8.24, 8.00, 109.20 ppm; 3.70 A increased from 3.48 A): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + H GLY 32 OK 100 100 100 100 3.5-3.6 6416=86, 6417/6412=74...(7) Violated in 0 structures by 0.00 A. Peak 6415 from nnoeabs.peaks (8.24, 8.24, 113.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + H THR 33 OK 100 100 - 100 Peak 6416 from nnoeabs.peaks (8.00, 8.24, 113.07 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + H THR 33 OK 100 100 100 100 3.5-3.6 6414=100, 6412/6417=80...(7) Violated in 0 structures by 0.00 A. Peak 6417 from nnoeabs.peaks (4.45, 8.24, 113.07 ppm; 2.76 A): 1 out of 1 assignment used, quality = 0.87: * HA2 GLY 32 + H THR 33 OK 87 100 95 91 2.2-3.5 925=65, 1.8/6418=45...(6) Violated in 1 structures by 0.03 A. Peak 6418 from nnoeabs.peaks (3.83, 8.24, 113.07 ppm; 3.48 A increased from 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 32 + H THR 33 OK 100 100 100 100 2.2-3.5 929=94, 1.8/6417=90...(6) Violated in 0 structures by 0.00 A. Peak 6419 from nnoeabs.peaks (5.25, 8.24, 113.07 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 33 + H THR 33 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6420 from nnoeabs.peaks (3.95, 8.24, 113.07 ppm; 3.87 A increased from 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 33 + H THR 33 OK 100 100 100 100 3.7-3.7 935=100, 936/3.0=75...(7) HA3 GLY 30 - H THR 33 far 0 77 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 6421 from nnoeabs.peaks (1.02, 8.24, 113.07 ppm; 3.76 A increased from 3.16 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 33 + H THR 33 OK 100 100 100 100 3.5-3.6 940=100, 941/3.0=75...(9) HG12 ILE 11 - H THR 33 far 0 75 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 6422 from nnoeabs.peaks (9.01, 8.24, 113.07 ppm; 4.56 A increased from 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H SER 34 + H THR 33 OK 100 100 100 100 4.3-4.4 4.6=95, 6425/3.0=94...(6) Violated in 0 structures by 0.00 A. Peak 6423 from nnoeabs.peaks (9.01, 9.01, 117.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 34 + H SER 34 OK 100 100 - 100 Peak 6425 from nnoeabs.peaks (5.25, 9.01, 117.64 ppm; 2.73 A): 1 out of 1 assignment used, quality = 0.99: * HA THR 33 + H SER 34 OK 99 100 100 99 2.2-2.5 934=78, 936/939=39...(13) Violated in 0 structures by 0.00 A. Peak 6426 from nnoeabs.peaks (3.95, 9.01, 117.64 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 33 + H SER 34 OK 100 100 100 100 2.3-3.1 939=100, 2.1/6427=59...(9) HA3 GLY 30 - H SER 34 far 0 77 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6427 from nnoeabs.peaks (1.02, 9.01, 117.64 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 33 + H SER 34 OK 100 100 100 100 3.0-3.3 944=89, 2.1/939=68...(10) HG12 ILE 11 - H SER 34 far 0 75 0 - 5.4-6.4 QG2 THR 37 - H SER 34 far 0 92 0 - 8.3-8.7 Violated in 1 structures by 0.00 A. Peak 6428 from nnoeabs.peaks (4.97, 9.01, 117.64 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 34 + H SER 34 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6429 from nnoeabs.peaks (3.74, 9.01, 117.64 ppm; 3.67 A increased from 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 34 + H SER 34 OK 100 100 100 100 3.0-3.6 949=95, 1.8/6430=82...(11) HD3 PRO 35 - H SER 34 far 0 98 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 6430 from nnoeabs.peaks (3.65, 9.01, 117.64 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 34 + H SER 34 OK 100 100 100 100 2.5-3.1 953=100, 1.8/6429=61...(15) HB2 SER 9 - H SER 34 far 0 100 0 - 7.3-7.5 HB3 SER 9 - H SER 34 far 0 100 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 6431 from nnoeabs.peaks (9.28, 9.28, 125.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 36 + H LEU 36 OK 100 100 - 100 H TRP 42 + H TRP 42 OK 69 69 - 100 Peak 6432 from nnoeabs.peaks (5.05, 9.28, 125.30 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 35 + H LEU 36 OK 100 100 100 100 2.2-2.3 3.6=100 HA GLN 27 - H LEU 36 far 0 93 0 - 4.6-5.6 HA PHE 40 - H TRP 42 far 0 77 0 - 6.1-6.3 HA LEU 17 - H TRP 42 far 0 85 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 6433 from nnoeabs.peaks (2.18, 9.28, 125.30 ppm; 5.87 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 35 + H LEU 36 OK 100 100 100 100 4.0-4.4 3.9=100 HG3 GLN 27 + H LEU 36 OK 71 100 85 83 5.1-6.7 9164/1057=76, 9006/8547=28 HB2 ASN 20 + H TRP 42 OK 58 65 100 90 3.0-3.9 4.4/8877=65, 8112/4.6=64...(4) HG2 GLU 110 - H TRP 42 far 0 77 0 - 7.8-25.5 Violated in 0 structures by 0.00 A. Peak 6434 from nnoeabs.peaks (1.76, 9.28, 125.30 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: * HB3 PRO 35 + H LEU 36 OK 100 100 100 100 3.6-4.1 3.9=100 HB3 LEU 36 + H LEU 36 OK 99 99 100 100 2.7-2.8 4.0=100 HG12 ILE 23 - H TRP 42 far 0 50 0 - 7.6-8.1 HB ILE 23 - H TRP 42 far 0 77 0 - 8.3-8.8 HG LEU 55 - H LEU 36 far 0 98 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 6439 from nnoeabs.peaks (4.71, 9.28, 125.30 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 36 + H LEU 36 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 12 - H LEU 36 far 0 77 0 - 7.5-7.8 HA TRP 16 - H TRP 42 far 0 86 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 6440 from nnoeabs.peaks (1.46, 9.28, 125.30 ppm; 4.64 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 36 + H LEU 36 OK 100 100 100 100 2.4-2.7 4.0=100 QB ALA 47 + H TRP 42 OK 55 58 100 94 3.9-4.4 9293/8880=33, ~9290=31...(11) QB ALA 45 - H TRP 42 far 0 83 0 - 5.3-5.7 HD3 LYS 13 - H LEU 36 far 0 92 0 - 5.9-7.5 HG13 ILE 11 - H LEU 36 far 0 65 0 - 6.2-8.9 HD2 LYS 13 - H LEU 36 far 0 92 0 - 6.3-8.8 HG2 PRO 43 - H TRP 42 far 0 72 0 - 6.4-7.0 HG3 LYS 58 - H LEU 36 far 0 99 0 - 8.9-9.6 HB ILE 77 - H TRP 42 far 0 86 0 - 9.0-9.7 HB3 LEU 51 - H LEU 36 far 0 84 0 - 9.6-11.6 QB ALA 57 - H LEU 36 far 0 95 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 6441 from nnoeabs.peaks (1.75, 9.28, 125.30 ppm; 4.73 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 36 + H LEU 36 OK 100 100 100 100 2.7-2.8 4.0=100 HB3 PRO 35 + H LEU 36 OK 99 99 100 100 3.6-4.1 3.9=100 HB VAL 25 - H LEU 36 far 0 59 0 - 5.7-6.1 HG12 ILE 23 - H TRP 42 far 0 66 0 - 7.6-8.1 HB ILE 23 - H TRP 42 far 0 63 0 - 8.3-8.8 HG LEU 55 - H LEU 36 far 0 100 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 6445 from nnoeabs.peaks (7.82, 9.28, 125.30 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H THR 37 + H LEU 36 OK 100 100 100 100 2.3-2.7 6447=100, 6450/4.0=60...(10) H ALA 47 - H TRP 42 far 0 45 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 6446 from nnoeabs.peaks (7.82, 7.82, 106.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + H THR 37 OK 100 100 - 100 Peak 6447 from nnoeabs.peaks (9.28, 7.82, 106.16 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.97: * H LEU 36 + H THR 37 OK 97 100 100 97 2.3-2.7 6445=51, 4.0/6450=38...(10) Violated in 0 structures by 0.00 A. Peak 6448 from nnoeabs.peaks (4.71, 7.82, 106.16 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 36 + H THR 37 OK 100 100 100 100 3.6-3.6 3.6=100 HA LEU 12 - H THR 37 far 0 77 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 6449 from nnoeabs.peaks (1.46, 7.82, 106.16 ppm; 3.80 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 36 + H THR 37 OK 100 100 100 100 3.5-3.5 1.8/6450=87, 1032=75...(10) HD3 LYS 13 - H THR 37 far 0 92 0 - 6.3-8.5 HD2 LYS 13 - H THR 37 far 0 92 0 - 7.3-9.3 HB3 LEU 51 - H THR 37 far 0 84 0 - 7.5-9.3 HG13 ILE 11 - H THR 37 far 0 65 0 - 7.7-10.0 QB ALA 57 - H THR 37 far 0 95 0 - 8.6-9.1 HG3 LYS 58 - H THR 37 far 0 99 0 - 8.7-9.2 QB ALA 47 - H THR 37 far 0 75 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 6450 from nnoeabs.peaks (1.75, 7.82, 106.16 ppm; 3.27 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LEU 36 + H THR 37 OK 99 100 100 99 2.2-2.3 1040=58, 1.8/6449=56...(12) HB VAL 25 - H THR 37 far 0 59 0 - 4.2-4.5 HB3 PRO 35 - H THR 37 far 0 99 0 - 4.8-4.9 HG LEU 55 - H THR 37 far 0 100 0 - 6.7-7.2 HG12 ILE 23 - H THR 37 far 0 84 0 - 8.3-8.9 HB ILE 23 - H THR 37 far 0 81 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 6451 from nnoeabs.peaks (1.57, 7.82, 106.16 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 36 + H THR 37 OK 100 100 100 100 3.8-4.0 3.0/6450=77, 2.1/6452=69...(10) HB3 LYS 13 - H THR 37 far 0 70 0 - 7.0-8.8 HB2 LEU 55 - H THR 37 far 0 61 0 - 8.7-9.0 HG LEU 12 - H THR 37 far 0 61 0 - 9.2-9.5 HB3 LYS 58 - H THR 37 far 0 98 0 - 9.5-10.1 HB2 ARG 66 - H THR 37 far 0 88 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 6452 from nnoeabs.peaks (0.79, 7.82, 106.16 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 36 + H THR 37 OK 100 100 100 100 4.2-4.3 1056=88, 1052/6450=80...(12) QD1 ILE 11 - H THR 37 far 0 87 0 - 6.3-7.9 QG2 VAL 69 - H THR 37 far 0 99 0 - 7.3-7.5 HB3 LEU 55 - H THR 37 far 0 91 0 - 8.2-8.5 QD1 ILE 23 - H THR 37 far 0 65 0 - 8.3-8.9 QD2 LEU 109 - H THR 37 far 0 65 0 - 9.2-16.6 QG2 ILE 23 - H THR 37 far 0 98 0 - 9.5-10.1 Violated in 1 structures by 0.00 A. Peak 6453 from nnoeabs.peaks (1.15, 7.82, 106.16 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 36 + H THR 37 OK 100 100 100 100 4.3-4.4 1064=100, 1058/3.6=87...(11) HG3 LYS 13 - H THR 37 far 0 100 0 - 5.8-8.6 HG2 LYS 13 - H THR 37 far 0 100 0 - 6.7-8.5 HG LEU 51 - H THR 37 far 0 59 0 - 8.3-8.5 HB2 LEU 12 - H THR 37 far 0 75 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 6454 from nnoeabs.peaks (4.88, 7.82, 106.16 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 37 + H THR 37 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6455 from nnoeabs.peaks (4.59, 7.82, 106.16 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 37 + H THR 37 OK 100 100 100 100 3.8-3.9 3.9=100 HA ILE 11 - H THR 37 far 0 90 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 6456 from nnoeabs.peaks (1.00, 7.82, 106.16 ppm; 3.22 A): 2 out of 3 assignments used, quality = 1.00: * QG2 THR 37 + H THR 37 OK 99 100 100 99 2.4-2.5 1075=81, 1076/3.0=53...(13) QG1 VAL 25 + H THR 37 OK 79 90 100 88 3.5-3.8 4.0/8267=30, 2.1/8970=28...(12) QG2 THR 33 - H THR 37 far 0 92 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 6458 from nnoeabs.peaks (8.28, 8.28, 114.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 38 + H SER 38 OK 100 100 - 100 Peak 6459 from nnoeabs.peaks (7.82, 8.28, 114.78 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + H SER 38 OK 100 100 100 100 4.4-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 6460 from nnoeabs.peaks (4.88, 8.28, 114.78 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.97: * HA THR 37 + H SER 38 OK 97 100 100 97 2.3-2.6 3.6=82, 3.0/1074=46...(6) Violated in 0 structures by 0.00 A. Peak 6461 from nnoeabs.peaks (4.59, 8.28, 114.78 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 37 + H SER 38 OK 100 100 100 100 2.2-2.7 1074=100, 3.0/6460=62...(7) Violated in 0 structures by 0.00 A. Peak 6462 from nnoeabs.peaks (1.00, 8.28, 114.78 ppm; 4.15 A increased from 3.90 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 37 + H SER 38 OK 100 100 100 100 3.8-4.1 4.0=100 QG1 VAL 25 - H SER 38 far 0 90 0 - 6.4-7.0 HB3 GLN 50 - H SER 38 far 0 71 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 6463 from nnoeabs.peaks (4.24, 8.28, 114.78 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 38 + H SER 38 OK 100 100 100 100 2.9-2.9 3.0=100 HA ALA 24 - H SER 38 far 0 98 0 - 5.1-5.5 HA ALA 47 - H SER 38 far 0 98 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 6464 from nnoeabs.peaks (3.49, 8.28, 114.78 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 38 + H SER 38 OK 100 100 100 100 2.3-2.4 1085=100, 1.8/1090=83...(8) HA LEU 51 - H SER 38 far 0 93 0 - 5.7-6.2 Violated in 0 structures by 0.00 A. Peak 6465 from nnoeabs.peaks (3.70, 8.28, 114.78 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 38 + H SER 38 OK 100 100 100 100 2.7-3.1 3.9=100 HA GLN 50 - H SER 38 far 0 100 0 - 8.2-8.8 HA LEU 55 - H SER 38 far 0 100 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 6467 from nnoeabs.peaks (7.71, 7.71, 115.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 39 + H TYR 39 OK 100 100 - 100 Peak 6469 from nnoeabs.peaks (4.24, 7.71, 115.30 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 38 + H TYR 39 OK 100 100 100 100 2.5-2.7 3.6=100 HA ALA 24 - H TYR 39 far 0 98 0 - 5.5-5.7 HA LEU 109 - H TYR 39 far 0 92 0 - 7.1-16.3 HA ALA 47 - H TYR 39 far 0 98 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 6470 from nnoeabs.peaks (3.49, 7.71, 115.30 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 38 + H TYR 39 OK 100 100 100 100 3.0-3.6 1089=100, 1.8/1094=86...(5) HA LEU 51 - H TYR 39 far 0 93 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 6471 from nnoeabs.peaks (3.70, 7.71, 115.30 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 38 + H TYR 39 OK 100 100 100 100 3.4-3.5 1094=100, 1.8/1089=74...(4) Violated in 0 structures by 0.00 A. Peak 6472 from nnoeabs.peaks (4.52, 7.71, 115.30 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 39 + H TYR 39 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6473 from nnoeabs.peaks (2.03, 7.71, 115.30 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 39 + H TYR 39 OK 100 100 100 100 3.4-3.5 4.0=100 HG2 PRO 35 - H TYR 39 far 0 79 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 6474 from nnoeabs.peaks (2.51, 7.71, 115.30 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 39 + H TYR 39 OK 100 100 100 100 2.1-2.3 4.0=100 HE3 LYS 13 - H TYR 39 far 0 85 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 6475 from nnoeabs.peaks (6.60, 7.71, 115.30 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + H TYR 39 OK 100 100 100 100 2.3-3.7 4.5=100 Violated in 0 structures by 0.00 A. Peak 6478 from nnoeabs.peaks (9.07, 9.07, 121.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + H PHE 40 OK 100 100 - 100 Peak 6479 from nnoeabs.peaks (7.71, 9.07, 121.99 ppm; 5.64 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 39 + H PHE 40 OK 100 100 100 100 4.2-4.4 4.6=100 H LEU 51 - H PHE 40 far 0 96 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 6480 from nnoeabs.peaks (4.52, 9.07, 121.99 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.93: * HA TYR 39 + H PHE 40 OK 93 100 100 93 2.1-2.2 1101=69, 9199/8279=29...(7) HA ALA 45 - H PHE 40 far 0 98 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 6481 from nnoeabs.peaks (2.03, 9.07, 121.99 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.99: * HB2 TYR 39 + H PHE 40 OK 99 100 100 99 3.7-3.9 3.0/6480=87, 4.6=86 HG3 GLN 50 - H PHE 40 far 0 99 0 - 8.1-8.6 HB2 GLN 49 - H PHE 40 far 0 84 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6482 from nnoeabs.peaks (2.51, 9.07, 121.99 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 39 + H PHE 40 OK 100 100 100 100 4.5-4.6 4.6=100 HE3 LYS 13 - H PHE 40 far 0 85 0 - 7.8-10.2 Violated in 0 structures by 0.00 A. Peak 6483 from nnoeabs.peaks (6.60, 9.07, 121.99 ppm; 4.60 A increased from 4.33 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + H PHE 40 OK 100 100 100 100 3.1-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 6485 from nnoeabs.peaks (5.03, 9.07, 121.99 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 40 + H PHE 40 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6486 from nnoeabs.peaks (2.66, 9.07, 121.99 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 40 + H PHE 40 OK 99 100 100 99 2.4-2.6 4.1=88, 2.5/6488=72...(8) Violated in 0 structures by 0.00 A. Peak 6487 from nnoeabs.peaks (3.40, 9.07, 121.99 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 40 + H PHE 40 OK 100 100 100 100 3.6-3.6 4.1=100 HB3 TRP 48 - H PHE 40 far 0 100 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 6488 from nnoeabs.peaks (7.13, 9.07, 121.99 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.98: * QD PHE 40 + H PHE 40 OK 98 100 100 98 2.6-3.3 2.5/6486=55, 10749=52...(11) HZ PHE 40 - H PHE 40 far 0 61 0 - 5.5-6.2 Violated in 0 structures by 0.00 A. Peak 6491 from nnoeabs.peaks (9.31, 9.07, 121.99 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 41 + H PHE 40 OK 100 100 100 100 4.4-4.5 4.7=100 H TRP 42 - H PHE 40 far 0 100 0 - 6.9-7.3 H LEU 36 - H PHE 40 far 0 75 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 6492 from nnoeabs.peaks (9.31, 9.31, 123.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 41 + H PHE 41 OK 100 100 - 100 Peak 6493 from nnoeabs.peaks (9.07, 9.31, 123.27 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + H PHE 41 OK 100 100 100 100 4.4-4.5 4.7=100 Violated in 0 structures by 0.00 A. Peak 6494 from nnoeabs.peaks (5.03, 9.31, 123.27 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.94: * HA PHE 40 + H PHE 41 OK 94 100 100 94 2.1-2.1 1123=77, 3.0/6496=33...(6) Violated in 0 structures by 0.00 A. Peak 6495 from nnoeabs.peaks (2.66, 9.31, 123.27 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 40 + H PHE 41 OK 100 100 100 100 4.3-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 6496 from nnoeabs.peaks (3.40, 9.31, 123.27 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 40 + H PHE 41 OK 100 100 100 100 3.4-3.6 4.5=87, 3.0/6494=80...(5) Violated in 0 structures by 0.00 A. Peak 6497 from nnoeabs.peaks (7.13, 9.31, 123.27 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 40 + H PHE 41 OK 99 100 100 99 3.7-4.3 4.6=78, 3.7/6494=67...(7) HZ PHE 40 - H PHE 41 far 0 61 0 - 7.9-8.2 Violated in 3 structures by 0.00 A. Peak 6500 from nnoeabs.peaks (4.61, 9.31, 123.27 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 41 + H PHE 41 OK 100 100 100 100 2.9-2.9 3.0=100 HB THR 37 - H PHE 41 far 0 90 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6501 from nnoeabs.peaks (2.38, 9.31, 123.27 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 41 + H PHE 41 OK 100 100 100 100 2.1-3.6 4.0=96, 1.8/6502=82...(8) HG2 GLN 50 - H PHE 41 far 0 100 0 - 5.7-6.4 HG2 GLU 54 - H PHE 41 far 0 63 0 - 9.1-10.0 HB3 LEU 17 - H PHE 41 far 0 91 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 6502 from nnoeabs.peaks (3.03, 9.31, 123.27 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.99: * HB3 PHE 41 + H PHE 41 OK 99 100 100 99 2.2-3.4 4.0=78, 2.5/6503=67...(9) Violated in 0 structures by 0.00 A. Peak 6503 from nnoeabs.peaks (6.90, 9.31, 123.27 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.94: * QD PHE 41 + H PHE 41 OK 94 100 100 94 2.0-3.2 2.5/6502=54, 2.5/6501=49...(7) Violated in 0 structures by 0.00 A. Peak 6506 from nnoeabs.peaks (9.30, 9.31, 123.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H PHE 41 + H PHE 41 OK 100 100 - 100 Reference assignment not found: H TRP 42 - H PHE 41 Peak 6507 from nnoeabs.peaks (9.30, 9.30, 125.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TRP 42 + H TRP 42 OK 100 100 - 100 H LEU 36 + H LEU 36 OK 69 69 - 100 Peak 6508 from nnoeabs.peaks (9.31, 9.30, 125.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H TRP 42 + H TRP 42 OK 100 100 - 100 H LEU 36 + H LEU 36 OK 58 58 - 100 Reference assignment not found: H PHE 41 - H TRP 42 Peak 6509 from nnoeabs.peaks (4.61, 9.30, 125.35 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.96: * HA PHE 41 + H TRP 42 OK 96 100 100 96 2.2-2.3 3.6=88, 8132/9236=30...(7) HB THR 37 - H LEU 36 far 0 72 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 6511 from nnoeabs.peaks (3.03, 9.30, 125.35 ppm; 5.64 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 41 + H TRP 42 OK 100 100 100 100 2.9-4.2 4.6=100 HE3 LYS 58 + H LEU 36 OK 27 69 40 96 6.1-7.4 8242/4.7=73, 9554/4.7=65 Violated in 0 structures by 0.00 A. Peak 6515 from nnoeabs.peaks (5.62, 9.30, 125.35 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: * HA TRP 42 + H TRP 42 OK 100 100 100 100 2.9-2.9 3.0=100 HA ALA 22 + H TRP 42 OK 93 98 100 95 3.2-3.6 2.1/9236=57...(9) Violated in 0 structures by 0.00 A. Peak 6516 from nnoeabs.peaks (3.17, 9.30, 125.35 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: HB3 TRP 42 + H TRP 42 OK 100 100 100 100 2.8-3.0 3.8=100 * HB2 TRP 42 + H TRP 42 OK 100 100 100 100 3.8-3.9 3.8=100 HB3 ASP 46 - H TRP 42 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6517 from nnoeabs.peaks (3.17, 9.30, 125.35 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TRP 42 + H TRP 42 OK 100 100 100 100 2.8-3.0 3.8=100 HB2 TRP 42 + H TRP 42 OK 100 100 100 100 3.8-3.9 3.8=100 HB3 ASP 46 - H TRP 42 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6523 from nnoeabs.peaks (7.59, 7.59, 125.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 44 + H ARG 44 OK 100 100 - 100 Peak 6524 from nnoeabs.peaks (3.52, 7.59, 125.96 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 43 + H ARG 44 OK 100 100 100 100 3.3-3.4 3.6=100 HD2 PRO 43 + H ARG 44 OK 93 97 100 96 2.9-4.0 1.8/6530=73, 2.3/6527=70...(4) Violated in 0 structures by 0.00 A. Peak 6526 from nnoeabs.peaks (1.64, 7.59, 125.96 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.92: HB2 ARG 44 + H ARG 44 OK 92 92 100 100 2.5-3.5 3.9=84, 1.8/1269=73...(14) ! HB3 PRO 43 - H ARG 44 far 0 100 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 6527 from nnoeabs.peaks (1.48, 7.59, 125.96 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.96: * HG2 PRO 43 + H ARG 44 OK 96 100 100 96 3.1-4.5 4.8=73, 2.3/6530=68...(6) QB ALA 45 - H ARG 44 far 0 98 0 - 5.0-5.3 Violated in 1 structures by 0.01 A. Peak 6528 from nnoeabs.peaks (1.92, 7.59, 125.96 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.61: HB3 ARG 44 + H ARG 44 OK 61 61 100 100 2.2-3.6 3.9=91, 1.8/6532=80...(14) ! HG3 PRO 43 - H ARG 44 far 5 100 5 - 3.2-4.6 Violated in 0 structures by 0.00 A. Peak 6529 from nnoeabs.peaks (3.53, 7.59, 125.96 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 43 + H ARG 44 OK 98 100 100 98 2.9-4.0 1.8/6530=80, 2.3/6527=76...(4) HA PRO 43 + H ARG 44 OK 97 97 100 100 3.3-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 6530 from nnoeabs.peaks (3.86, 7.59, 125.96 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.98: * HD3 PRO 43 + H ARG 44 OK 98 100 100 98 2.9-4.0 2.3/6527=74, 1210=47...(7) Violated in 0 structures by 0.00 A. Peak 6531 from nnoeabs.peaks (3.77, 7.59, 125.96 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 44 + H ARG 44 OK 100 100 100 100 2.6-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 6532 from nnoeabs.peaks (1.62, 7.59, 125.96 ppm; 3.57 A increased from 3.36 A): 1 out of 2 assignments used, quality = 0.99: * HB2 ARG 44 + H ARG 44 OK 99 100 100 99 2.5-3.5 3.9=76, 1.8/1269=70...(14) HB3 PRO 43 - H ARG 44 far 0 92 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 6533 from nnoeabs.peaks (1.89, 7.59, 125.96 ppm; 3.77 A increased from 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 44 + H ARG 44 OK 100 100 100 100 2.2-3.6 1269=100, 1.8/6532=79...(13) HG3 PRO 43 - H ARG 44 far 3 61 5 - 3.2-4.6 HB2 LEU 17 - H ARG 44 far 0 84 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 6534 from nnoeabs.peaks (1.57, 7.59, 125.96 ppm; 4.36 A increased from 3.49 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 44 + H ARG 44 OK 100 100 100 100 1.9-4.5 2.9/1269=76...(17) HG3 ARG 44 + H ARG 44 OK 100 100 100 100 2.4-4.6 2.9/1269=76, 5.1=62...(17) Violated in 0 structures by 0.00 A. Peak 6535 from nnoeabs.peaks (1.57, 7.59, 125.96 ppm; 4.36 A increased from 3.49 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 44 + H ARG 44 OK 100 100 100 100 1.9-4.5 2.9/1269=76...(17) * HG3 ARG 44 + H ARG 44 OK 100 100 100 100 2.4-4.6 2.9/1269=76, 5.1=62...(17) Violated in 0 structures by 0.00 A. Peak 6536 from nnoeabs.peaks (2.97, 7.59, 125.96 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 44 + H ARG 44 OK 100 100 100 100 2.6-5.0 3.5/6532=76, 3.5/1269=74...(16) HD3 ARG 44 + H ARG 44 OK 75 100 75 100 2.5-5.8 3.5/6532=76, 3.5/1269=74...(17) HB3 HIS 111 - H ARG 44 far 0 92 0 - 9.3-26.2 Violated in 2 structures by 0.00 A. Peak 6537 from nnoeabs.peaks (2.97, 7.59, 125.96 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 44 + H ARG 44 OK 100 100 100 100 2.6-5.0 3.5/6532=76, 3.5/1269=74...(16) * HD3 ARG 44 + H ARG 44 OK 75 100 75 100 2.5-5.8 3.5/6532=76, 3.5/1269=74...(17) HB3 HIS 111 - H ARG 44 far 0 91 0 - 9.3-26.2 Violated in 2 structures by 0.00 A. Peak 6538 from nnoeabs.peaks (8.73, 7.59, 125.96 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 45 + H ARG 44 OK 100 100 100 100 3.0-3.4 6540=100, 6542/6532=56...(10) Violated in 0 structures by 0.00 A. Peak 6539 from nnoeabs.peaks (8.73, 8.73, 120.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 45 + H ALA 45 OK 100 100 - 100 H ASN 85 + H ASN 85 OK 21 21 - 100 Peak 6540 from nnoeabs.peaks (7.59, 8.73, 120.28 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 44 + H ALA 45 OK 99 100 100 99 3.0-3.4 6538=85, 6532/6542=51...(10) H GLN 49 - H ALA 45 far 0 87 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 6541 from nnoeabs.peaks (3.77, 8.73, 120.28 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 44 + H ALA 45 OK 100 100 100 100 3.5-3.6 3.6=100 HA TRP 80 - H ASN 85 far 0 36 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 6542 from nnoeabs.peaks (1.62, 8.73, 120.28 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 44 + H ALA 45 OK 99 100 100 99 2.1-2.7 4.1=71, 8293/2.9=60...(13) HB3 PRO 43 - H ALA 45 far 0 92 0 - 5.6-6.4 HB2 GLN 50 - H ALA 45 far 0 100 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 6543 from nnoeabs.peaks (1.89, 8.73, 120.28 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 44 + H ALA 45 OK 100 100 100 100 2.8-4.0 4.1=100 HG3 PRO 43 - H ALA 45 far 0 61 0 - 6.0-7.3 HB2 GLN 89 - H ASN 85 far 0 26 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 6544 from nnoeabs.peaks (1.57, 8.73, 120.28 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.45: * HG2 ARG 44 + H ALA 45 OK 45 100 50 90 3.5-4.8 5.1/6540=29, 1280/4.1=26...(9) HG3 ARG 44 - H ALA 45 far 0 100 0 - 4.3-4.8 HB3 LEU 83 - H ASN 85 far 0 32 0 - 5.1-6.0 Violated in 19 structures by 0.57 A. Peak 6545 from nnoeabs.peaks (1.57, 8.73, 120.28 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.45: HG2 ARG 44 + H ALA 45 OK 45 100 50 90 3.5-4.8 5.1/6540=29, 1280/4.1=26...(9) ! HG3 ARG 44 - H ALA 45 far 0 100 0 - 4.3-4.8 HB3 LEU 83 - H ASN 85 far 0 33 0 - 5.1-6.0 Violated in 19 structures by 0.57 A. Peak 6547 from nnoeabs.peaks (2.97, 8.73, 120.28 ppm; 5.16 A): 2 out of 3 assignments used, quality = 0.99: HD2 ARG 44 + H ALA 45 OK 90 100 90 100 3.9-6.0 3.0/6544=91, 3.5/6542=84...(7) * HD3 ARG 44 + H ALA 45 OK 90 100 90 100 4.5-5.9 3.0/6544=91, 3.5/6542=84...(7) HB3 ASP 82 - H ASN 85 poor 8 24 35 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 6548 from nnoeabs.peaks (4.51, 8.73, 120.28 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 45 + H ALA 45 OK 100 100 100 100 2.9-2.9 3.0=100 HA LYS 88 - H ASN 85 far 0 33 0 - 8.0-8.4 HA GLN 89 - H ASN 85 far 0 35 0 - 8.0-9.9 HA GLN 19 - H ASN 85 far 0 32 0 - 9.2-11.2 HA TYR 39 - H ALA 45 far 0 98 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 6549 from nnoeabs.peaks (1.47, 8.73, 120.28 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 45 + H ALA 45 OK 100 100 100 100 2.5-2.7 2.9=100 HG2 PRO 43 - H ALA 45 far 0 98 0 - 5.6-7.2 Violated in 0 structures by 0.00 A. Peak 6550 from nnoeabs.peaks (8.51, 8.73, 120.28 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + H ALA 45 OK 100 100 100 100 4.0-4.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 6551 from nnoeabs.peaks (8.51, 8.51, 117.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 46 + H ASP 46 OK 100 100 - 100 H ILE 67 + H ILE 67 OK 60 60 - 100 Peak 6553 from nnoeabs.peaks (4.51, 8.51, 117.72 ppm; 3.27 A): 1 out of 3 assignments used, quality = 0.98: * HA ALA 45 + H ASP 46 OK 98 100 100 98 2.1-2.2 1317=95, 2.1/1321=61, ~8298=18 HA ASP 65 - H ILE 67 far 0 46 0 - 4.5-4.8 HA ASN 68 - H ILE 67 far 0 79 0 - 5.3-5.4 Violated in 0 structures by 0.00 A. Peak 6554 from nnoeabs.peaks (1.47, 8.51, 117.72 ppm; 3.42 A increased from 3.04 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 45 + H ASP 46 OK 100 100 100 100 2.9-3.4 1321=100, 2.1/6553=69...(7) HG2 PRO 43 - H ASP 46 far 0 98 0 - 7.5-8.5 HB3 LEU 51 - H ASP 46 far 0 96 0 - 9.3-10.2 HB3 LEU 51 - H ILE 67 far 0 72 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 6555 from nnoeabs.peaks (5.13, 8.51, 117.72 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + H ASP 46 OK 100 100 100 100 2.5-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 6556 from nnoeabs.peaks (2.58, 8.51, 117.72 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASP 46 + H ASP 46 OK 98 100 100 98 2.1-3.1 3.9=85, 1.8/6557=72...(4) HB3 ASP 53 - H ASP 46 far 0 91 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 6557 from nnoeabs.peaks (3.17, 8.51, 117.72 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.98: * HB3 ASP 46 + H ASP 46 OK 98 100 100 98 3.3-3.6 3.9=90, 1.8/6556=76...(5) HB2 TRP 42 - H ASP 46 far 0 100 0 - 4.9-5.4 HB3 TRP 42 - H ASP 46 far 0 100 0 - 6.4-6.8 HA LYS 52 - H ILE 67 far 0 74 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 6558 from nnoeabs.peaks (7.86, 8.51, 117.72 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.99: * H ALA 47 + H ASP 46 OK 98 100 100 98 4.0-4.2 6561/3.0=71, 4.6=58...(8) H ARG 66 + H ILE 67 OK 60 60 100 100 2.3-2.4 6865=70, 6854/6849=39...(24) HE22 GLN 49 - H ASP 46 far 0 85 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 6559 from nnoeabs.peaks (7.86, 7.86, 125.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 47 + H ALA 47 OK 100 100 - 100 Peak 6560 from nnoeabs.peaks (8.51, 7.86, 125.61 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + H ALA 47 OK 100 100 100 100 4.0-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 6561 from nnoeabs.peaks (5.13, 7.86, 125.61 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.98: * HA ASP 46 + H ALA 47 OK 98 100 100 98 2.2-2.3 1326=91, 9274/2.9=33...(9) HA ASN 20 - H ALA 47 far 0 90 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 6563 from nnoeabs.peaks (3.17, 7.86, 125.61 ppm; 4.13 A): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 46 + H ALA 47 OK 99 100 100 99 3.9-4.2 3.0/6561=78, 4.6=73...(9) HB2 TRP 42 + H ALA 47 OK 95 100 100 95 2.3-2.7 4.2/9263=49, 3.0/9290=40...(10) HB3 TRP 42 + H ALA 47 OK 93 100 100 93 3.3-3.6 4.2/9263=49, 3.0/9290=40...(9) Violated in 0 structures by 0.00 A. Peak 6564 from nnoeabs.peaks (4.23, 7.86, 125.61 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 47 + H ALA 47 OK 100 100 100 100 2.8-2.9 2.9=100 HA ALA 24 - H ALA 47 far 0 85 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 6565 from nnoeabs.peaks (1.43, 7.86, 125.61 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 47 + H ALA 47 OK 100 100 100 100 2.0-2.1 2.9=100 HB ILE 77 - H ALA 47 far 0 70 0 - 7.3-7.7 HB3 LYS 52 - H ALA 47 far 0 73 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 6566 from nnoeabs.peaks (6.75, 6.75, 115.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 49 + HE21 GLN 49 OK 100 100 - 100 Peak 6567 from nnoeabs.peaks (3.46, 6.75, 115.43 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 49 + HE21 GLN 49 OK 100 100 100 100 2.8-3.3 6574/1.7=76, 3.0/6569=72...(17) HA LEU 51 - HE21 GLN 49 far 0 97 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 6568 from nnoeabs.peaks (2.06, 6.75, 115.43 ppm; 4.98 A increased from 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 49 + HE21 GLN 49 OK 100 100 100 100 4.8-4.8 4.5=100 HG3 GLN 50 - HE21 GLN 49 far 0 95 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 6569 from nnoeabs.peaks (2.25, 6.75, 115.43 ppm; 3.80 A increased from 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 49 + HE21 GLN 49 OK 100 100 100 100 3.6-3.7 6576/1.7=87, 1375/3.5=69...(12) HG3 GLU 54 - HE21 GLN 49 far 0 99 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 6570 from nnoeabs.peaks (2.30, 6.75, 115.43 ppm; 3.80 A increased from 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 49 + HE21 GLN 49 OK 100 100 100 100 3.8-3.8 3.5=100 HG3 GLU 54 - HE21 GLN 49 far 0 63 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 6571 from nnoeabs.peaks (2.45, 6.75, 115.43 ppm; 4.25 A increased from 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 49 + HE21 GLN 49 OK 100 100 100 100 4.1-4.1 3.5=100 HB2 ASP 53 - HE21 GLN 49 poor 16 79 20 - 3.8-7.1 Violated in 0 structures by 0.00 A. Peak 6572 from nnoeabs.peaks (7.83, 6.75, 115.43 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 49 + HE21 GLN 49 OK 100 100 100 100 1.7-1.7 1.7=100 H ALA 47 - HE21 GLN 49 far 0 85 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 6573 from nnoeabs.peaks (7.83, 7.83, 115.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 49 + HE22 GLN 49 OK 100 100 - 100 Peak 6574 from nnoeabs.peaks (3.46, 7.83, 115.43 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 49 + HE22 GLN 49 OK 100 100 100 100 2.0-2.3 3.0/6576=82, 6567/1.7=80...(17) HA LEU 51 - HE22 GLN 49 far 0 97 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 6575 from nnoeabs.peaks (2.06, 7.83, 115.43 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 49 + HE22 GLN 49 OK 100 100 100 100 3.4-3.5 1.8/6576=96, 4.5=87...(12) HG3 GLN 50 - HE22 GLN 49 far 0 95 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 6576 from nnoeabs.peaks (2.25, 7.83, 115.43 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLN 49 + HE22 GLN 49 OK 99 100 100 99 1.9-2.1 6569/1.7=57...(10) Violated in 0 structures by 0.00 A. Peak 6577 from nnoeabs.peaks (2.30, 7.83, 115.43 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.96: * HG2 GLN 49 + HE22 GLN 49 OK 96 100 100 96 2.9-3.0 1379=77, 1375/1371=33...(10) Violated in 0 structures by 0.00 A. Peak 6578 from nnoeabs.peaks (2.45, 7.83, 115.43 ppm; 3.66 A increased from 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 49 + HE22 GLN 49 OK 100 100 100 100 3.5-3.5 3.5=100 HB2 ASP 53 - HE22 GLN 49 far 0 79 0 - 4.7-7.9 Violated in 0 structures by 0.00 A. Peak 6579 from nnoeabs.peaks (6.75, 7.83, 115.43 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 49 + HE22 GLN 49 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6580 from nnoeabs.peaks (8.05, 8.05, 116.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + H GLN 50 OK 100 100 - 100 Peak 6581 from nnoeabs.peaks (4.23, 8.05, 116.44 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.98: * HA ALA 47 + H GLN 50 OK 98 100 100 98 3.6-3.8 1340=56, 10414/6592=45...(10) HA ALA 24 - H GLN 50 far 0 85 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6582 from nnoeabs.peaks (3.46, 8.05, 116.44 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 49 + H GLN 50 OK 100 100 100 100 3.6-3.6 3.6=100 HA LEU 51 - H GLN 50 far 0 97 0 - 5.2-5.5 HB2 SER 38 - H GLN 50 far 0 71 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 6583 from nnoeabs.peaks (2.06, 8.05, 116.44 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 50 + H GLN 50 OK 94 95 100 100 2.6-3.1 1.8/6592=70, 1430=63...(13) * HB2 GLN 49 + H GLN 50 OK 94 100 100 94 2.3-2.6 1364=48, 1.8/6584=47...(7) Violated in 0 structures by 0.00 A. Peak 6584 from nnoeabs.peaks (2.25, 8.05, 116.44 ppm; 4.11 A increased from 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 49 + H GLN 50 OK 100 100 100 100 3.8-3.9 4.3=89, 1.8/1364=75...(6) HG3 GLU 54 - H GLN 50 far 0 99 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 6585 from nnoeabs.peaks (2.30, 8.05, 116.44 ppm; 4.34 A increased from 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 49 + H GLN 50 OK 100 100 100 100 4.0-4.3 1.8/6586=91, 1380=74...(6) HG3 GLU 54 - H GLN 50 far 0 63 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 6586 from nnoeabs.peaks (2.45, 8.05, 116.44 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLN 49 + H GLN 50 OK 99 100 100 99 2.5-3.1 1.8/6585=57, 1388=56...(8) HB2 ASP 53 - H GLN 50 far 0 79 0 - 5.0-6.9 Violated in 0 structures by 0.00 A. Peak 6589 from nnoeabs.peaks (3.70, 8.05, 116.44 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 50 + H GLN 50 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 6590 from nnoeabs.peaks (1.63, 8.05, 116.44 ppm; 3.75 A increased from 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 50 + H GLN 50 OK 100 100 100 100 3.5-3.6 4.0=82, 1.8/6591=73...(12) HB2 LEU 70 - H GLN 50 far 0 93 0 - 9.2-9.5 HB2 ARG 44 - H GLN 50 far 0 100 0 - 9.5-10.1 HB2 LEU 55 - H GLN 50 far 0 91 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 6591 from nnoeabs.peaks (1.03, 8.05, 116.44 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + H GLN 50 OK 100 100 100 100 2.3-2.5 4.0=84, 1.8/6590=75...(14) QG2 THR 37 - H GLN 50 far 0 71 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 6592 from nnoeabs.peaks (2.39, 8.05, 116.44 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 50 + H GLN 50 OK 100 100 100 100 2.6-3.2 1421=68, 1.8/1430=57...(13) HG2 GLU 56 - H GLN 50 far 0 100 0 - 9.0-10.8 HB2 PHE 41 - H GLN 50 far 0 100 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 6593 from nnoeabs.peaks (2.04, 8.05, 116.44 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 50 + H GLN 50 OK 100 100 100 100 2.6-3.1 1.8/6592=70, 1430=66...(13) HB2 GLN 49 + H GLN 50 OK 89 95 100 94 2.3-2.6 1.8/6584=46, 1364=46...(7) Violated in 0 structures by 0.00 A. Peak 6595 from nnoeabs.peaks (7.35, 8.05, 116.44 ppm; 5.03 A increased from 4.73 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 50 + H GLN 50 OK 100 100 100 100 4.8-5.2 3.5/6592=87, 3.5/1430=81...(9) HZ3 TRP 42 - H GLN 50 far 0 96 0 - 8.2-8.7 HZ2 TRP 48 - H GLN 50 far 0 75 0 - 9.5-9.8 Violated in 3 structures by 0.01 A. Peak 6596 from nnoeabs.peaks (7.70, 8.05, 116.44 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 51 + H GLN 50 OK 100 100 100 100 2.6-2.9 6617=100, 6619/6590=39...(11) Violated in 0 structures by 0.00 A. Peak 6597 from nnoeabs.peaks (8.09, 8.05, 116.44 ppm; 2.78 A): 0 out of 1 assignment used, quality = 0.00: ! H LYS 52 - H GLN 50 far 0 100 0 - 4.4-4.8 Violated in 20 structures by 1.83 A. Peak 6598 from nnoeabs.peaks (6.37, 6.37, 109.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HE21 GLN 50 OK 100 100 - 100 Peak 6600 from nnoeabs.peaks (3.70, 6.37, 109.01 ppm; 5.33 A increased from 5.02 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 50 + HE21 GLN 50 OK 100 100 100 100 5.0-5.4 6608/1.7=92, 1394/3.5=89...(6) HB3 SER 38 - HE21 GLN 50 far 0 100 0 - 7.8-9.9 Violated in 3 structures by 0.00 A. Peak 6603 from nnoeabs.peaks (2.39, 6.37, 109.01 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.6-3.9 3.5=100 HB2 PHE 41 - HE21 GLN 50 far 0 100 0 - 6.2-9.3 Violated in 0 structures by 0.00 A. Peak 6604 from nnoeabs.peaks (2.04, 6.37, 109.01 ppm; 4.12 A increased from 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.4-4.1 3.5=100 HB2 GLN 49 - HE21 GLN 50 far 0 95 0 - 7.4-8.2 HB2 TYR 39 - HE21 GLN 50 far 0 99 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 6605 from nnoeabs.peaks (7.35, 6.37, 109.01 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 50 + HE21 GLN 50 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6606 from nnoeabs.peaks (7.35, 7.35, 109.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 50 + HE22 GLN 50 OK 100 100 - 100 Peak 6608 from nnoeabs.peaks (3.70, 7.35, 109.01 ppm; 4.81 A increased from 4.53 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 50 + HE22 GLN 50 OK 100 100 100 100 3.8-4.8 1396=99, 1394/3.5=80...(6) HB3 SER 38 - HE22 GLN 50 far 0 100 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 6609 from nnoeabs.peaks (1.63, 7.35, 109.01 ppm; 5.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.4-4.3 4.5=100 HB2 ARG 44 - HE22 GLN 50 far 0 100 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. Peak 6610 from nnoeabs.peaks (1.03, 7.35, 109.01 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.7-4.5 4.5=100 QG2 THR 37 - HE22 GLN 50 far 0 71 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 6611 from nnoeabs.peaks (2.39, 7.35, 109.01 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.5-3.2 3.5=100 HB2 PHE 41 - HE22 GLN 50 far 0 100 0 - 5.9-9.9 Violated in 0 structures by 0.00 A. Peak 6612 from nnoeabs.peaks (2.04, 7.35, 109.01 ppm; 3.69 A increased from 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HB2 GLN 49 - HE22 GLN 50 far 0 95 0 - 6.0-7.1 HB2 TYR 39 - HE22 GLN 50 far 0 99 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 6613 from nnoeabs.peaks (6.37, 7.35, 109.01 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HE22 GLN 50 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6614 from nnoeabs.peaks (7.70, 7.70, 120.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 51 + H LEU 51 OK 100 100 - 100 H LYS 84 + H LYS 84 OK 25 25 - 100 Peak 6615 from nnoeabs.peaks (4.23, 7.70, 120.84 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 47 + H LEU 51 OK 100 100 100 100 4.2-4.4 6581/6617=82...(9) HA ALA 24 - H LEU 51 far 0 85 0 - 6.6-7.1 HA SER 38 - H LEU 51 far 0 98 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 6616 from nnoeabs.peaks (3.46, 7.70, 120.84 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: HA LEU 51 + H LEU 51 OK 97 97 100 100 2.8-2.9 2.9=100 * HA GLN 49 + H LEU 51 OK 87 100 100 87 3.8-4.1 3.6/6617=50, 1439=35...(8) HB3 TRP 80 - H LYS 84 far 0 42 0 - 6.5-7.1 HB2 SER 38 - H LEU 51 far 0 71 0 - 8.9-9.3 HA ARG 66 - H LEU 51 far 0 100 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 6617 from nnoeabs.peaks (8.05, 7.70, 120.84 ppm; 3.50 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 50 + H LEU 51 OK 99 100 100 99 2.6-2.9 6596=94, 6590/6619=37...(11) H LYS 88 - H LYS 84 far 0 48 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 6618 from nnoeabs.peaks (3.70, 7.70, 120.84 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 50 + H LEU 51 OK 100 100 100 100 3.4-3.5 3.6=100 HA LEU 83 + H LYS 84 OK 45 45 100 100 3.4-3.5 3.6=100 HB3 PHE 79 - H LYS 84 far 0 29 0 - 8.1-8.9 HA LEU 55 - H LEU 51 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 6619 from nnoeabs.peaks (1.63, 7.70, 120.84 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLN 50 + H LEU 51 OK 99 100 100 99 3.5-3.9 1.8/6620=70, 4.6=66...(8) HB2 LEU 70 - H LEU 51 far 0 93 0 - 7.5-7.8 HB2 LEU 55 - H LEU 51 far 0 91 0 - 7.6-8.4 HB2 ARG 66 - H LEU 51 far 0 65 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6620 from nnoeabs.peaks (1.03, 7.70, 120.84 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + H LEU 51 OK 100 100 100 100 2.8-3.2 1.8/6619=82, 4.6=77...(8) QG2 THR 37 - H LEU 51 far 0 71 0 - 5.6-6.1 Violated in 0 structures by 0.00 A. Peak 6625 from nnoeabs.peaks (3.47, 7.70, 120.84 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 51 + H LEU 51 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLN 49 + H LEU 51 OK 84 97 100 87 3.8-4.1 3.6/6617=50, 1439=36...(8) HB3 TRP 80 - H LYS 84 far 0 48 0 - 6.5-7.1 HB2 SER 38 - H LEU 51 far 0 93 0 - 8.9-9.3 HA ARG 66 - H LEU 51 far 0 98 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 6626 from nnoeabs.peaks (1.10, 7.70, 120.84 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LEU 51 + H LEU 51 OK 99 100 100 99 2.2-3.0 4.0=57, 1.8/6627=52...(16) HG LEU 51 - H LEU 51 far 0 100 0 - 4.0-4.3 Violated in 0 structures by 0.00 A. Peak 6627 from nnoeabs.peaks (1.48, 7.70, 120.84 ppm; 3.46 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 51 + H LEU 51 OK 100 100 100 100 2.2-3.0 1.8/6626=76, 4.0=66...(18) HB3 LYS 84 + H LYS 84 OK 26 27 100 93 2.6-3.0 4.0=64, 1.8/6630=19...(16) HD2 LYS 88 - H LYS 84 far 0 25 0 - 6.7-8.4 QB ALA 45 - H LEU 51 far 0 96 0 - 6.9-7.3 HD3 LYS 88 - H LYS 84 far 0 25 0 - 7.0-8.6 HB ILE 77 - H LEU 51 far 0 88 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6628 from nnoeabs.peaks (1.11, 7.70, 120.84 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.99: HB2 LEU 51 + H LEU 51 OK 99 100 100 99 2.2-3.0 4.0=57, 1.8/6627=52...(16) ! HG LEU 51 - H LEU 51 far 0 100 0 - 4.0-4.3 Violated in 0 structures by 0.00 A. Peak 6629 from nnoeabs.peaks (0.48, 7.70, 120.84 ppm; 4.32 A increased from 3.84 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 51 + H LEU 51 OK 100 100 100 100 4.1-4.2 1474=100, 3.1/6626=78...(17) HB2 LYS 52 - H LEU 51 far 0 100 0 - 5.9-6.1 QG2 VAL 14 - H LEU 51 far 0 85 0 - 8.9-9.4 HG12 ILE 77 - H LEU 51 far 0 88 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 6630 from nnoeabs.peaks (0.86, 7.70, 120.84 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 51 + H LEU 51 OK 100 100 100 100 4.2-4.3 1483/2.9=69, 3.1/6626=61...(15) HB2 LYS 84 + H LYS 84 OK 40 41 100 98 2.2-3.6 4.0=78, 1.8/3227=42...(18) QG2 VAL 25 - H LEU 51 far 0 99 0 - 6.1-6.3 QD1 LEU 12 - H LEU 51 far 0 99 0 - 6.5-6.9 QG1 VAL 69 - H LEU 51 far 0 68 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 6631 from nnoeabs.peaks (8.09, 7.70, 120.84 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 52 + H LEU 51 OK 100 100 100 100 2.5-2.7 6637=97, 6640/4.0=38...(14) H ASN 87 - H LYS 84 far 0 49 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 6632 from nnoeabs.peaks (8.38, 7.70, 120.84 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 53 + H LEU 51 OK 100 100 100 100 3.7-4.5 6658=100, 6660/6631=81...(11) H TRP 48 + H LEU 51 OK 75 79 100 95 4.7-4.9 3.0/9404=66...(6) H ALA 73 - H LEU 51 far 0 100 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 6633 from nnoeabs.peaks (8.09, 8.09, 121.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + H LYS 52 OK 100 100 - 100 Peak 6634 from nnoeabs.peaks (3.46, 8.09, 121.12 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 51 + H LYS 52 OK 97 97 100 100 3.5-3.6 3.6=100 * HA GLN 49 + H LYS 52 OK 97 100 100 97 3.2-3.8 1354=47, 1356/6646=45...(11) HA ARG 66 - H LYS 52 far 0 100 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 6635 from nnoeabs.peaks (8.05, 8.09, 121.12 ppm; 2.97 A): 0 out of 1 assignment used, quality = 0.00: ! H GLN 50 - H LYS 52 far 0 100 0 - 4.4-4.8 Violated in 20 structures by 1.65 A. Peak 6637 from nnoeabs.peaks (7.70, 8.09, 121.12 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 51 + H LYS 52 OK 100 100 100 100 2.5-2.7 6631=100, 4.0/6640=39...(15) H VAL 69 - H LYS 52 far 0 98 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 6638 from nnoeabs.peaks (3.47, 8.09, 121.12 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 51 + H LYS 52 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLN 49 + H LYS 52 OK 94 97 100 97 3.2-3.8 1354=46, 1356/6646=44...(11) HA ARG 66 - H LYS 52 far 0 98 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 6639 from nnoeabs.peaks (1.10, 8.09, 121.12 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 51 + H LYS 52 OK 99 100 100 99 2.4-4.1 1.8/6640=72, 4.2=57...(10) HG LEU 51 + H LYS 52 OK 98 100 100 98 2.5-3.4 3.0/6640=54, 2.1/6643=54...(10) HG3 ARG 66 - H LYS 52 far 0 81 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 6640 from nnoeabs.peaks (1.48, 8.09, 121.12 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LEU 51 + H LYS 52 OK 99 100 100 99 2.5-3.8 1465=60, 3.1/6643=44...(11) QB ALA 45 - H LYS 52 far 0 96 0 - 9.0-9.3 Violated in 2 structures by 0.03 A. Peak 6641 from nnoeabs.peaks (1.11, 8.09, 121.12 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 51 + H LYS 52 OK 99 100 100 99 2.4-4.1 1.8/6640=72, 4.2=57...(10) * HG LEU 51 + H LYS 52 OK 98 100 100 98 2.5-3.4 3.0/6640=54, 2.1/6643=54...(10) HG3 ARG 66 - H LYS 52 far 0 91 0 - 8.4-9.3 QD1 LEU 36 - H LYS 52 far 0 59 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 6642 from nnoeabs.peaks (0.48, 8.09, 121.12 ppm; 3.68 A increased from 3.10 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 52 + H LYS 52 OK 100 100 100 100 3.5-3.6 1.8/6646=83, 4.0=77...(14) * QD2 LEU 51 + H LYS 52 OK 90 100 90 100 3.7-4.3 1481=62, 1477/6640=61...(10) QG2 VAL 14 - H LYS 52 far 0 85 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6643 from nnoeabs.peaks (0.86, 8.09, 121.12 ppm; 4.06 A increased from 3.83 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 51 + H LYS 52 OK 100 100 100 100 3.6-4.1 1483/3.6=68, 3.1/6640=67...(11) QG2 VAL 25 - H LYS 52 far 0 99 0 - 5.5-6.2 QD1 LEU 12 - H LYS 52 far 0 99 0 - 6.5-7.2 QG1 VAL 69 - H LYS 52 far 0 68 0 - 7.8-8.6 Violated in 1 structures by 0.00 A. Peak 6644 from nnoeabs.peaks (3.15, 8.09, 121.12 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 52 + H LYS 52 OK 100 100 100 100 2.8-2.8 3.0=100 HB3 ASP 46 - H LYS 52 far 0 97 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 6645 from nnoeabs.peaks (0.47, 8.09, 121.12 ppm; 3.68 A increased from 3.10 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 52 + H LYS 52 OK 100 100 100 100 3.5-3.6 1.8/6646=83, 4.0=77...(14) QD2 LEU 51 + H LYS 52 OK 90 100 90 100 3.7-4.3 1481=62, 1477/6640=61...(10) QG2 VAL 14 - H LYS 52 far 0 79 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6646 from nnoeabs.peaks (1.40, 8.09, 121.12 ppm; 3.29 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 52 + H LYS 52 OK 99 100 100 99 2.1-2.7 4.0=55, 2.9/6647=44...(17) HG LEU 70 - H LYS 52 far 0 73 0 - 4.6-5.4 QB ALA 47 - H LYS 52 far 0 73 0 - 6.3-6.7 HD3 LYS 58 - H LYS 52 far 0 70 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 6647 from nnoeabs.peaks (0.79, 8.09, 121.12 ppm; 3.80 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 52 + H LYS 52 OK 100 100 100 100 1.8-3.1 2.9/6646=67, 1.8/6648=63...(13) QD1 ILE 23 - H LYS 52 far 0 59 0 - 4.7-5.2 QG2 VAL 69 - H LYS 52 far 0 97 0 - 5.4-6.1 QD1 ILE 67 - H LYS 52 far 0 99 0 - 7.2-7.7 HB3 LEU 55 - H LYS 52 far 0 87 0 - 7.3-7.6 QG2 ILE 23 - H LYS 52 far 0 99 0 - 7.6-8.1 QD2 LEU 36 - H LYS 52 far 0 100 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 6648 from nnoeabs.peaks (0.94, 8.09, 121.12 ppm; 4.23 A increased from 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 52 + H LYS 52 OK 100 100 100 100 3.3-4.2 1.8/6647=86, 2.9/6646=79...(12) QG1 VAL 25 - H LYS 52 far 0 68 0 - 6.7-7.3 QG2 ILE 67 - H LYS 52 far 0 57 0 - 9.1-9.8 QG2 THR 74 - H LYS 52 far 0 90 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 6649 from nnoeabs.peaks (1.24, 8.09, 121.12 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 52 + H LYS 52 OK 100 100 100 100 3.2-4.4 1.8/6650=81, 1550=78...(13) HG13 ILE 23 - H LYS 52 far 0 96 0 - 7.3-7.9 Violated in 1 structures by 0.01 A. Peak 6650 from nnoeabs.peaks (1.16, 8.09, 121.12 ppm; 4.05 A increased from 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 52 + H LYS 52 OK 100 100 100 100 3.6-4.1 1.8/6649=71, 3.4/6646=66...(13) HG3 ARG 66 - H LYS 52 far 0 84 0 - 8.4-9.3 HB2 LEU 12 - H LYS 52 far 0 88 0 - 9.0-10.0 QD1 LEU 36 - H LYS 52 far 0 99 0 - 9.7-10.0 Violated in 1 structures by 0.00 A. Peak 6653 from nnoeabs.peaks (8.38, 8.09, 121.12 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + H LYS 52 OK 100 100 100 100 2.7-2.9 6660=100, 6680/6654=36...(13) H TRP 48 - H LYS 52 far 0 79 0 - 6.1-6.5 H ALA 73 - H LYS 52 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 6654 from nnoeabs.peaks (7.64, 8.09, 121.12 ppm; 4.37 A increased from 3.89 A): 1 out of 1 assignment used, quality = 0.98: * H GLU 54 + H LYS 52 OK 98 100 100 98 4.0-4.3 6680/6660=79...(9) Violated in 0 structures by 0.00 A. Peak 6655 from nnoeabs.peaks (8.38, 8.38, 117.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 53 + H ASP 53 OK 100 100 - 100 H ASP 18 + H ASP 18 OK 85 85 - 100 Peak 6656 from nnoeabs.peaks (3.46, 8.38, 117.91 ppm; 4.47 A increased from 3.97 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 49 + H ASP 53 OK 100 100 100 100 3.9-4.4 8317=58, 1356/1527=53...(13) HA LEU 51 + H ASP 53 OK 96 97 100 99 4.2-4.8 3.6/6660=73...(8) HA ARG 66 - H ASP 53 far 0 100 0 - 8.3-9.3 HB3 TRP 80 - H ASP 18 far 0 83 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6657 from nnoeabs.peaks (3.70, 8.38, 117.91 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.98: * HA GLN 50 + H ASP 53 OK 98 100 100 98 3.7-3.9 1398=79, 1400/6672=56...(6) HA LEU 55 - H ASP 53 far 0 99 0 - 7.2-7.3 Violated in 0 structures by 0.00 A. Peak 6658 from nnoeabs.peaks (7.70, 8.38, 117.91 ppm; 4.49 A increased from 4.22 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 51 + H ASP 53 OK 99 100 100 99 3.7-4.5 6631/6660=77...(12) HE3 TRP 16 - H ASP 18 far 0 86 0 - 8.2-9.5 Violated in 1 structures by 0.00 A. Peak 6659 from nnoeabs.peaks (3.47, 8.38, 117.91 ppm; 4.47 A increased from 3.97 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 51 + H ASP 53 OK 99 100 100 99 4.2-4.8 3.6/6660=73...(8) HA GLN 49 + H ASP 53 OK 97 97 100 100 3.9-4.4 8317=57, 1356/1527=52...(13) HA ARG 66 - H ASP 53 far 0 98 0 - 8.3-9.3 HB3 TRP 80 - H ASP 18 far 0 92 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6660 from nnoeabs.peaks (8.09, 8.38, 117.91 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 52 + H ASP 53 OK 100 100 100 100 2.7-2.9 6653=96, 6654/6680=35...(13) H LEU 109 - H ASP 18 far 0 53 0 - 8.2-21.6 Violated in 0 structures by 0.00 A. Peak 6661 from nnoeabs.peaks (3.15, 8.38, 117.91 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 52 + H ASP 53 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 TRP 16 - H ASP 18 far 0 84 0 - 6.8-7.0 HB3 ASP 46 - H ASP 53 far 0 97 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 6662 from nnoeabs.peaks (0.47, 8.38, 117.91 ppm; 4.23 A increased from 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 52 + H ASP 53 OK 100 100 100 100 2.8-4.1 4.7=75, 1.8/1527=73...(9) QD2 LEU 15 - H ASP 18 far 0 62 0 - 5.0-5.4 QD2 LEU 51 - H ASP 53 far 0 100 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 6663 from nnoeabs.peaks (1.40, 8.38, 117.91 ppm; 3.78 A increased from 3.56 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 52 + H ASP 53 OK 99 100 100 99 2.2-4.0 1527=64, 1.8/6662=62...(12) HG LEU 17 + H ASP 18 OK 75 88 95 89 4.1-4.4 446/3.6=46, 466/4.6=33...(7) HG LEU 70 - H ASP 53 far 0 73 0 - 6.7-7.6 QB ALA 47 - H ASP 53 far 0 73 0 - 7.8-8.5 HD3 LYS 84 - H ASP 18 far 0 75 0 - 7.9-11.6 HD3 LYS 58 - H ASP 53 far 0 70 0 - 8.3-10.3 HG3 LYS 84 - H ASP 18 far 0 80 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 6664 from nnoeabs.peaks (0.79, 8.38, 117.91 ppm; 4.92 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 52 + H ASP 53 OK 100 100 100 100 1.9-4.8 4.8=100 QD2 LEU 109 - H ASP 18 far 0 49 0 - 5.9-21.1 QD1 ILE 23 - H ASP 53 far 0 59 0 - 6.6-7.4 QG2 VAL 69 - H ASP 53 far 0 97 0 - 7.1-7.8 HB3 LEU 55 - H ASP 53 far 0 87 0 - 7.5-7.7 QD1 ILE 67 - H ASP 53 far 0 99 0 - 7.9-8.6 QD2 LEU 36 - H ASP 53 far 0 100 0 - 8.3-8.9 QG2 ILE 23 - H ASP 53 far 0 99 0 - 9.5-10.3 QG2 ILE 23 - H ASP 18 far 0 89 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6665 from nnoeabs.peaks (0.94, 8.38, 117.91 ppm; 5.04 A increased from 4.74 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 52 + H ASP 53 OK 100 100 100 100 2.3-4.9 4.8=100 QG1 VAL 25 - H ASP 53 far 0 68 0 - 7.8-8.5 QG1 VAL 14 - H ASP 18 far 0 90 0 - 8.2-8.6 HB2 LEU 15 - H ASP 18 far 0 84 0 - 8.9-9.2 QG1 VAL 76 - H ASP 18 far 0 92 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 6667 from nnoeabs.peaks (1.16, 8.38, 117.91 ppm; 5.39 A increased from 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 52 + H ASP 53 OK 100 100 100 100 4.3-5.5 1.8/1560=92, 1571=91...(10) HG3 ARG 66 - H ASP 53 far 0 84 0 - 9.0-9.7 QD1 LEU 36 - H ASP 53 far 0 99 0 - 9.5-10.0 Violated in 2 structures by 0.01 A. Peak 6670 from nnoeabs.peaks (4.10, 8.38, 117.91 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 53 + H ASP 53 OK 100 100 100 100 2.7-2.8 3.0=100 HA GLU 110 - H ASP 18 far 0 74 0 - 8.9-23.6 Violated in 0 structures by 0.00 A. Peak 6671 from nnoeabs.peaks (2.48, 8.38, 117.91 ppm; 3.40 A increased from 3.20 A): 1 out of 3 assignments used, quality = 0.98: * HB2 ASP 53 + H ASP 53 OK 98 100 100 98 2.2-3.4 1603=78, 1.8/6672=77...(4) HB3 ASN 20 - H ASP 18 far 0 62 0 - 4.3-6.7 HG3 GLN 49 - H ASP 53 far 0 79 0 - 4.5-5.2 Violated in 0 structures by 0.00 A. Peak 6672 from nnoeabs.peaks (2.56, 8.38, 117.91 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.94: * HB3 ASP 53 + H ASP 53 OK 94 100 100 94 2.1-2.9 1.8/6671=63, 1609=60...(4) HB2 ASP 46 - H ASP 53 far 0 91 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 6673 from nnoeabs.peaks (7.64, 8.38, 117.91 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 54 + H ASP 53 OK 100 100 100 100 2.6-2.8 6680=100, 6683/6672=41...(11) HD21 ASN 20 - H ASP 18 lone 6 92 40 16 3.1-7.3 8864/4.9=5, 8864/4.9=5...(5) HE21 GLN 19 - H ASP 18 far 0 91 0 - 3.9-5.3 HD21 ASN 108 - H ASP 18 far 0 92 0 - 7.8-22.5 Violated in 0 structures by 0.00 A. Peak 6674 from nnoeabs.peaks (8.44, 8.38, 117.91 ppm; 2.91 A): 0 out of 3 assignments used, quality = 0.00: ! H LEU 55 - H ASP 53 far 0 100 0 - 4.4-4.7 H ALA 22 - H ASP 18 far 0 86 0 - 6.7-7.0 H TRP 48 - H ASP 53 far 0 79 0 - 7.9-8.7 Violated in 20 structures by 1.60 A. Peak 6675 from nnoeabs.peaks (7.64, 7.64, 120.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 54 + H GLU 54 OK 100 100 - 100 H LYS 84 + H LYS 84 OK 76 76 - 100 Peak 6676 from nnoeabs.peaks (3.70, 7.64, 120.64 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.84: HA LEU 83 + H LYS 84 OK 84 84 100 100 3.4-3.5 3.6=100 ! HA GLN 50 - H GLU 54 poor 17 100 20 87 4.2-4.6 6657/6680=54...(4) HA LEU 55 - H GLU 54 far 0 99 0 - 5.3-5.5 HB3 PHE 79 - H LYS 84 far 0 59 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 6677 from nnoeabs.peaks (3.47, 7.64, 120.64 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 51 + H GLU 54 OK 100 100 100 100 3.5-3.6 1447=99, 1449/6686=48...(13) HA GLN 49 - H GLU 54 far 0 97 0 - 6.4-6.8 HB3 TRP 80 - H LYS 84 far 0 88 0 - 6.5-7.1 HA ARG 66 - H GLU 54 far 0 98 0 - 8.2-8.9 HB2 SER 38 - H GLU 54 far 0 93 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 6678 from nnoeabs.peaks (8.09, 7.64, 120.64 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 52 + H GLU 54 OK 100 100 100 100 4.0-4.3 6654=93, 6660/6680=76...(9) H ASN 87 + H LYS 84 OK 77 89 100 87 4.5-4.8 10051/2.9=67...(4) Violated in 0 structures by 0.00 A. Peak 6680 from nnoeabs.peaks (8.38, 7.64, 120.64 ppm; 3.08 A): 1 out of 2 assignments used, quality = 0.97: * H ASP 53 + H GLU 54 OK 97 100 100 97 2.6-2.8 6673=84, 6672/6683=37...(9) H TRP 48 - H GLU 54 far 0 79 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6681 from nnoeabs.peaks (4.10, 7.64, 120.64 ppm; 3.62 A increased from 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 53 + H GLU 54 OK 100 100 100 100 3.5-3.5 3.6=100 HA LYS 58 - H GLU 54 far 0 100 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 6682 from nnoeabs.peaks (2.48, 7.64, 120.64 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.96: * HB2 ASP 53 + H GLU 54 OK 96 100 100 96 2.9-3.9 1607=70, 1.8/6683=68...(4) HG3 GLN 81 - H LYS 84 far 0 80 0 - 4.2-6.7 HG3 GLN 86 - H LYS 84 far 0 70 0 - 5.0-5.2 HG3 GLN 49 - H GLU 54 far 0 79 0 - 6.6-7.0 Violated in 4 structures by 0.06 A. Peak 6683 from nnoeabs.peaks (2.56, 7.64, 120.64 ppm; 3.66 A increased from 3.45 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 53 + H GLU 54 OK 98 100 100 98 2.6-3.7 1.8/6682=77, 1613=70...(4) HB2 ASP 46 - H GLU 54 far 0 91 0 - 8.8-11.0 Violated in 1 structures by 0.00 A. Peak 6684 from nnoeabs.peaks (4.04, 7.64, 120.64 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 54 + H GLU 54 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 6685 from nnoeabs.peaks (1.96, 7.64, 120.64 ppm; 3.57 A increased from 3.01 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 54 + H GLU 54 OK 100 100 100 100 3.3-3.4 1.8/6686=88, 4.0=69...(16) HB3 GLN 89 - H LYS 84 far 0 88 0 - 6.4-10.8 HG13 ILE 90 - H LYS 84 far 0 88 0 - 8.4-10.0 HB3 GLN 19 - H LYS 84 far 0 73 0 - 9.3-11.9 HB VAL 69 - H GLU 54 far 0 96 0 - 9.5-10.1 HB3 LEU 70 - H GLU 54 far 0 99 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 6686 from nnoeabs.peaks (2.14, 7.64, 120.64 ppm; 2.95 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 54 + H GLU 54 OK 99 100 100 99 2.1-2.1 1632=52, 1.8/6685=49...(16) HG12 ILE 90 - H LYS 84 far 0 87 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 6687 from nnoeabs.peaks (2.35, 7.64, 120.64 ppm; 4.12 A increased from 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 54 + H GLU 54 OK 100 100 100 100 3.8-3.9 1639=98, 1.8/6688=86...(13) HB2 GLN 81 - H LYS 84 far 0 86 0 - 5.1-6.0 HG2 GLU 56 - H GLU 54 far 0 61 0 - 5.1-6.6 Violated in 0 structures by 0.00 A. Peak 6688 from nnoeabs.peaks (2.26, 7.64, 120.64 ppm; 3.68 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 54 + H GLU 54 OK 100 100 100 100 3.3-3.7 1646=91, 1649/6686=73...(13) HG2 GLN 89 - H LYS 84 far 0 82 0 - 5.8-11.0 HG3 GLN 89 - H LYS 84 far 0 70 0 - 6.3-11.2 HB2 GLN 86 - H LYS 84 far 0 88 0 - 6.5-6.9 HG2 GLN 86 - H LYS 84 far 0 72 0 - 6.5-6.7 HG2 GLN 49 - H GLU 54 far 0 63 0 - 8.1-8.4 HB3 GLN 49 - H GLU 54 far 0 99 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 6689 from nnoeabs.peaks (8.44, 7.64, 120.64 ppm; 2.97 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 55 + H GLU 54 OK 99 100 100 99 2.7-2.9 6696=81, 1638/6686=36...(14) H ASP 82 - H LYS 84 far 0 79 0 - 3.9-4.2 H TRP 48 - H GLU 54 far 0 79 0 - 9.4-9.8 H ASN 78 - H LYS 84 far 0 86 0 - 10.0-10.1 Violated in 0 structures by 0.00 A. Peak 6690 from nnoeabs.peaks (8.54, 7.64, 120.64 ppm; 4.34 A increased from 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 56 + H GLU 54 OK 100 100 100 100 4.0-4.1 6713=96, 6715/6689=83...(11) Violated in 0 structures by 0.00 A. Peak 6691 from nnoeabs.peaks (8.44, 8.44, 116.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 55 + H LEU 55 OK 100 100 - 100 H ASN 78 + H ASN 78 OK 97 97 - 100 Peak 6692 from nnoeabs.peaks (3.47, 8.44, 116.32 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 51 + H LEU 55 OK 100 100 100 100 4.3-4.8 6677/6689=92...(10) HB3 TRP 80 + H ASN 78 OK 91 99 100 92 5.0-5.2 2428/3.6=84...(3) HA ARG 66 - H LEU 55 far 0 98 0 - 6.0-6.4 HA GLN 49 - H LEU 55 far 0 97 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 6693 from nnoeabs.peaks (3.15, 8.44, 116.32 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 52 + H LEU 55 OK 100 100 100 100 3.4-3.8 1501=100, 6711/6715=61...(7) HB3 PHE 99 - H ASN 78 far 0 67 0 - 8.9-9.4 HB3 TRP 42 - H ASN 78 far 0 93 0 - 9.1-9.9 HB2 TRP 42 - H ASN 78 far 0 93 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 6694 from nnoeabs.peaks (8.38, 8.44, 116.32 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.39: H ILE 77 + H ASN 78 OK 39 59 100 67 2.8-2.8 7100=35, 3.9/2437=25...(6) ! H ASP 53 - H LEU 55 far 0 100 0 - 4.4-4.7 H ALA 73 - H ASN 78 far 0 99 0 - 7.8-7.9 H TRP 48 - H ASN 78 far 0 76 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 6695 from nnoeabs.peaks (4.10, 8.44, 116.32 ppm; 4.93 A increased from 4.38 A): 1 out of 2 assignments used, quality = 0.99: * HA ASP 53 + H LEU 55 OK 99 100 100 99 4.7-4.9 3.6/6689=89...(4) HA LYS 58 - H LEU 55 far 0 100 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 6696 from nnoeabs.peaks (7.64, 8.44, 116.32 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 54 + H LEU 55 OK 100 100 100 100 2.7-2.9 6689=100, 6686/1638=42...(15) H LYS 84 - H ASN 78 far 0 88 0 - 10.0-10.1 Violated in 0 structures by 0.00 A. Peak 6697 from nnoeabs.peaks (4.04, 8.44, 116.32 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 54 + H LEU 55 OK 100 100 100 100 3.6-3.6 3.6=100 HA GLU 75 + H ASN 78 OK 94 95 100 99 3.6-3.6 2357=88, 2359/4.1=44...(11) Violated in 0 structures by 0.00 A. Peak 6698 from nnoeabs.peaks (1.96, 8.44, 116.32 ppm; 3.53 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 54 + H LEU 55 OK 100 100 100 100 2.6-2.8 1630=99, 1.8/1638=67...(12) HB VAL 69 - H LEU 55 far 0 96 0 - 8.0-8.3 HB3 LEU 70 - H LEU 55 far 0 99 0 - 8.7-9.0 HB2 GLN 72 - H ASN 78 far 0 65 0 - 8.8-8.9 HB3 GLN 27 - H LEU 55 far 0 91 0 - 8.9-9.8 HB2 GLN 27 - H LEU 55 far 0 94 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 6699 from nnoeabs.peaks (2.14, 8.44, 116.32 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 54 + H LEU 55 OK 100 100 100 100 2.8-2.9 1638=100, 1.8/6698=84...(10) Violated in 0 structures by 0.00 A. Peak 6702 from nnoeabs.peaks (3.71, 8.44, 116.32 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 55 + H LEU 55 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLN 50 - H LEU 55 far 0 99 0 - 6.9-7.3 HA GLU 63 - H LEU 55 far 0 70 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 6703 from nnoeabs.peaks (1.60, 8.44, 116.32 ppm; 3.42 A): 1 out of 8 assignments used, quality = 0.99: * HB2 LEU 55 + H LEU 55 OK 99 100 100 99 2.6-2.8 1.8/6704=64, 4.0=63...(13) HD2 LYS 58 - H LEU 55 far 0 95 0 - 4.4-6.0 HG13 ILE 77 - H ASN 78 far 0 72 0 - 4.5-4.6 HB2 ARG 66 - H LEU 55 far 0 96 0 - 4.7-5.1 HG LEU 36 - H LEU 55 far 0 61 0 - 5.0-5.5 HB2 GLN 50 - H LEU 55 far 0 91 0 - 7.5-8.1 HB2 LEU 70 - H LEU 55 far 0 100 0 - 8.9-9.3 QB ALA 62 - H LEU 55 far 0 81 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6704 from nnoeabs.peaks (0.77, 8.44, 116.32 ppm; 3.69 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 55 + H LEU 55 OK 100 100 100 100 3.6-3.6 1.8/6703=80, 4.0=79...(11) QD2 LEU 36 - H LEU 55 far 0 91 0 - 4.6-5.1 QG2 VAL 69 - H LEU 55 far 0 99 0 - 5.5-5.7 HG2 LYS 52 - H LEU 55 far 0 87 0 - 5.8-6.3 QG2 ILE 23 - H ASN 78 far 0 67 0 - 5.9-6.2 QD1 ILE 23 - H ASN 78 far 0 94 0 - 7.0-7.1 QD1 ILE 67 - H LEU 55 far 0 73 0 - 7.7-8.1 QD1 ILE 23 - H LEU 55 far 0 96 0 - 7.9-8.2 QD1 ILE 11 - H LEU 55 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6705 from nnoeabs.peaks (1.74, 8.44, 116.32 ppm; 3.21 A): 1 out of 6 assignments used, quality = 0.99: * HG LEU 55 + H LEU 55 OK 99 100 100 99 2.0-2.2 2.1/6707=57, 1679=53...(13) HB VAL 25 - H LEU 55 far 0 65 0 - 5.6-6.0 HB3 ARG 66 - H LEU 55 far 0 79 0 - 5.9-6.7 HB3 LEU 36 - H LEU 55 far 0 100 0 - 6.4-6.8 HB ILE 23 - H ASN 78 far 0 72 0 - 8.7-9.2 HG12 ILE 23 - H LEU 55 far 0 88 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 6706 from nnoeabs.peaks (0.43, 8.44, 116.32 ppm; 3.88 A increased from 3.45 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + H LEU 55 OK 100 100 100 100 3.6-3.8 1687=100, 2.1/6705=85...(15) QD1 LEU 70 - H LEU 55 far 0 99 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 6707 from nnoeabs.peaks (0.33, 8.44, 116.32 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 55 + H LEU 55 OK 100 100 100 100 2.4-2.9 1695=81, 2.1/6705=72...(17) QG2 ILE 61 - H LEU 55 far 0 100 0 - 4.8-5.3 QG2 VAL 76 - H ASN 78 far 0 61 0 - 5.2-5.2 QG1 VAL 21 - H ASN 78 far 0 87 0 - 5.6-5.9 HB2 LYS 58 - H LEU 55 far 0 92 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 6708 from nnoeabs.peaks (8.54, 8.44, 116.32 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 56 + H LEU 55 OK 100 100 100 100 2.6-2.6 6715=100, 6719/6705=33...(15) H ILE 67 - H LEU 55 far 0 100 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 6709 from nnoeabs.peaks (6.98, 8.44, 116.32 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 57 + H LEU 55 OK 100 100 100 100 3.9-4.0 6731=100, 6733/6715=85...(11) H LYS 58 + H LEU 55 OK 34 73 50 93 5.0-5.3 9561/3.0=52, 4.5/6731=50...(5) H ILE 61 - H LEU 55 far 0 100 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 6710 from nnoeabs.peaks (8.54, 8.54, 118.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 56 + H GLU 56 OK 100 100 - 100 H SER 9 + H SER 9 OK 28 28 - 100 Peak 6711 from nnoeabs.peaks (3.15, 8.54, 118.78 ppm; 5.14 A): 1 out of 3 assignments used, quality = 0.95: * HA LYS 52 + H GLU 56 OK 95 100 100 95 3.4-3.9 1501/6715=78...(7) HB3 HIS 59 - H GLU 56 far 0 79 0 - 9.5-10.8 HB2 HIS 59 - H GLU 56 far 0 82 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6712 from nnoeabs.peaks (4.10, 8.54, 118.78 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * HA ASP 53 + H GLU 56 OK 100 100 100 100 3.6-3.8 1599=84, 6729/6733=53...(9) HB THR 8 + H SER 9 OK 45 47 100 96 4.0-4.3 4.2=76, 3.0/95=45...(6) HA LYS 58 - H GLU 56 far 0 100 0 - 7.1-7.2 HA VAL 6 - H SER 9 far 0 56 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 6713 from nnoeabs.peaks (7.64, 8.54, 118.78 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 54 + H GLU 56 OK 100 100 100 100 4.0-4.1 6690=100, 6689/6715=85...(11) Violated in 0 structures by 0.00 A. Peak 6715 from nnoeabs.peaks (8.44, 8.54, 118.78 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 55 + H GLU 56 OK 100 100 100 100 2.6-2.6 6708=97, 6705/6719=33...(15) H HIS 7 - H SER 9 far 0 36 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 6716 from nnoeabs.peaks (3.71, 8.54, 118.78 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 55 + H GLU 56 OK 100 100 100 100 3.5-3.5 3.6=100 HB2 SER 34 - H SER 9 far 0 35 0 - 7.5-8.6 HA GLU 63 - H GLU 56 far 0 70 0 - 7.8-8.4 HA GLN 50 - H GLU 56 far 0 99 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 6717 from nnoeabs.peaks (1.60, 8.54, 118.78 ppm; 3.71 A): 3 out of 11 assignments used, quality = 0.99: * HB2 LEU 55 + H GLU 56 OK 99 100 100 99 2.5-2.6 6703/6715=59, 4.6=51...(15) HB ILE 28 + H SER 9 OK 49 50 100 97 2.3-2.5 8704/2.9=57, 8691/4.1=39...(11) HB2 ARG 66 + H GLU 56 OK 21 96 25 89 4.2-4.8 2041=23, ~9525=19...(16) HD2 LYS 58 - H GLU 56 far 0 95 0 - 5.1-6.6 HG LEU 36 - H GLU 56 far 0 61 0 - 7.1-7.3 QB ALA 62 - H SER 9 far 0 39 0 - 7.3-7.7 QB ALA 62 - H GLU 56 far 0 81 0 - 8.9-9.3 HG13 ILE 67 - H GLU 56 far 0 100 0 - 9.0-10.1 HB2 LEU 70 - H GLU 56 far 0 100 0 - 9.1-9.4 HB ILE 11 - H SER 9 far 0 40 0 - 9.1-9.4 HB2 GLN 50 - H GLU 56 far 0 91 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 6718 from nnoeabs.peaks (0.77, 8.54, 118.78 ppm; 3.86 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 55 + H GLU 56 OK 99 100 100 99 3.7-3.9 6704/6715=59, 4.6=58...(14) QG2 ILE 28 + H SER 9 OK 51 52 100 97 2.7-2.9 759=39, ~8704=35...(11) HG2 LYS 52 - H GLU 56 far 0 87 0 - 5.5-6.6 QD1 ILE 11 - H SER 9 far 0 56 0 - 5.5-6.5 QG1 VAL 29 - H SER 9 far 0 49 0 - 5.6-5.7 QD2 LEU 36 - H GLU 56 far 0 91 0 - 6.0-6.3 QG2 VAL 69 - H GLU 56 far 0 99 0 - 6.4-6.6 QD1 ILE 67 - H GLU 56 far 0 73 0 - 6.7-7.2 QD2 LEU 36 - H SER 9 far 0 46 0 - 6.9-7.1 QD1 ILE 23 - H GLU 56 far 0 96 0 - 9.3-9.6 QG2 VAL 69 - H SER 9 far 0 54 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6719 from nnoeabs.peaks (1.74, 8.54, 118.78 ppm; 4.09 A increased from 3.85 A): 1 out of 5 assignments used, quality = 0.99: * HG LEU 55 + H GLU 56 OK 99 100 100 99 3.7-4.1 6705/6715=74, 1686=49...(12) HB3 ARG 66 - H GLU 56 far 0 79 0 - 5.1-6.0 HB VAL 25 - H GLU 56 far 0 65 0 - 8.0-8.4 HB3 LEU 36 - H GLU 56 far 0 100 0 - 8.7-9.0 HB3 LEU 36 - H SER 9 far 0 56 0 - 10.0-10.3 Violated in 1 structures by 0.00 A. Peak 6720 from nnoeabs.peaks (0.43, 8.54, 118.78 ppm; 4.65 A increased from 4.14 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + H GLU 56 OK 100 100 100 100 4.4-4.6 4.7=96, 2.1/6719=86...(15) QD1 LEU 70 + H GLU 56 OK 63 99 80 79 5.0-5.4 9412/6711=33...(8) QD1 LEU 55 - H SER 9 far 0 56 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 6721 from nnoeabs.peaks (0.33, 8.54, 118.78 ppm; 4.68 A increased from 4.40 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 55 + H GLU 56 OK 100 100 100 100 4.3-4.5 4.7=98, 2.1/6719=86...(12) QG2 ILE 61 + H GLU 56 OK 91 100 100 91 4.0-5.2 1659/3.6=37, 1693/4.7=31...(9) HB2 LYS 58 - H GLU 56 far 0 92 0 - 7.3-7.7 QG2 ILE 61 - H SER 9 far 0 55 0 - 7.5-9.0 QD2 LEU 55 - H SER 9 far 0 56 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 6722 from nnoeabs.peaks (3.54, 8.54, 118.78 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 56 + H GLU 56 OK 100 100 100 100 2.8-2.8 3.0=100 HA ILE 67 - H GLU 56 far 0 94 0 - 8.6-9.5 HB3 TRP 60 - H SER 9 far 0 36 0 - 9.5-9.9 HA TRP 48 - H GLU 56 far 0 65 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 6723 from nnoeabs.peaks (1.91, 8.54, 118.78 ppm; 2.87 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 56 + H GLU 56 OK 97 100 100 97 2.3-2.6 1711=49, 1.8/6724=45...(14) HG3 GLU 56 + H GLU 56 OK 94 96 100 98 2.6-3.0 1.8/6725=55, 1733=51...(13) HB3 LEU 70 - H GLU 56 far 0 68 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6724 from nnoeabs.peaks (1.83, 8.54, 118.78 ppm; 3.62 A increased from 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 56 + H GLU 56 OK 100 100 100 100 3.6-3.6 1719=91, 1.8/1711=73...(11) HB VAL 29 - H SER 9 far 0 48 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 6725 from nnoeabs.peaks (2.38, 8.54, 118.78 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 56 + H GLU 56 OK 100 100 100 100 2.4-3.0 1726=82, 1.8/1733=62...(15) HG2 GLU 54 - H GLU 56 far 0 61 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 6726 from nnoeabs.peaks (1.90, 8.54, 118.78 ppm; 2.87 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 56 + H GLU 56 OK 98 100 100 98 2.6-3.0 1.8/6725=55, 1733=53...(13) HB2 GLU 56 + H GLU 56 OK 93 96 100 97 2.3-2.6 1711=47, 1.8/6724=45...(15) Violated in 0 structures by 0.00 A. Peak 6727 from nnoeabs.peaks (6.98, 8.54, 118.78 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 57 + H GLU 56 OK 100 100 100 100 2.6-2.7 6733=100, 6735/1711=36...(15) H LYS 58 - H GLU 56 far 0 73 0 - 4.2-4.4 HD2 HIS 7 - H SER 9 far 0 45 0 - 5.2-8.9 H ILE 61 - H GLU 56 far 0 100 0 - 7.3-7.8 HZ3 TRP 48 - H GLU 56 far 0 59 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 6728 from nnoeabs.peaks (6.98, 6.98, 118.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 57 + H ALA 57 OK 100 100 - 100 Peak 6729 from nnoeabs.peaks (4.10, 6.98, 118.03 ppm; 4.01 A increased from 3.77 A): 1 out of 2 assignments used, quality = 0.99: * HA ASP 53 + H ALA 57 OK 99 100 100 99 3.8-4.0 1599/6733=57...(10) HA LYS 58 - H ALA 57 far 0 100 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 6730 from nnoeabs.peaks (4.04, 6.98, 118.03 ppm; 3.97 A increased from 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 54 + H ALA 57 OK 100 100 100 100 3.7-3.8 1621=100, 1744/6740=85...(8) Violated in 0 structures by 0.00 A. Peak 6731 from nnoeabs.peaks (8.44, 6.98, 118.03 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H ALA 57 OK 100 100 100 100 3.9-4.0 6715/6733=78, 6709=60...(12) Violated in 0 structures by 0.00 A. Peak 6732 from nnoeabs.peaks (3.71, 6.98, 118.03 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 55 + H ALA 57 OK 100 100 100 100 3.9-4.0 3.6/6733=76, 3.0/6731=68...(17) HA GLN 50 - H ALA 57 far 0 99 0 - 8.4-8.7 HA GLU 63 - H ALA 57 far 0 70 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 6733 from nnoeabs.peaks (8.54, 6.98, 118.03 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 56 + H ALA 57 OK 100 100 100 100 2.6-2.7 6727=98, 1711/6735=36...(15) Violated in 0 structures by 0.00 A. Peak 6734 from nnoeabs.peaks (3.54, 6.98, 118.03 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 56 + H ALA 57 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6735 from nnoeabs.peaks (1.91, 6.98, 118.03 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.98: * HB2 GLU 56 + H ALA 57 OK 98 100 100 98 2.9-3.0 1.8/6736=57, 1717=56...(9) HG3 GLU 56 - H ALA 57 far 0 96 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 6736 from nnoeabs.peaks (1.83, 6.98, 118.03 ppm; 3.95 A increased from 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 56 + H ALA 57 OK 100 100 100 100 3.7-3.9 1.8/6735=87, 1725=85...(8) Violated in 0 structures by 0.00 A. Peak 6737 from nnoeabs.peaks (2.38, 6.98, 118.03 ppm; 4.86 A increased from 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 56 + H ALA 57 OK 100 100 100 100 4.6-4.8 6725/6733=90...(9) HG2 GLU 54 - H ALA 57 far 0 61 0 - 7.0-7.1 Violated in 0 structures by 0.00 A. Peak 6738 from nnoeabs.peaks (1.90, 6.98, 118.03 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.94: HB2 GLU 56 + H ALA 57 OK 94 96 100 97 2.9-3.0 1.8/6736=57, 1717=54...(9) ! HG3 GLU 56 - H ALA 57 far 0 100 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 6739 from nnoeabs.peaks (4.17, 6.98, 118.03 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 57 + H ALA 57 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 6740 from nnoeabs.peaks (1.44, 6.98, 118.03 ppm; 2.49 A): 1 out of 3 assignments used, quality = 0.90: * QB ALA 57 + H ALA 57 OK 90 100 100 90 2.0-2.1 1745=62, 1744/1621=22...(14) HG3 LYS 58 - H ALA 57 far 0 85 0 - 5.9-6.2 HG LEU 70 - H ALA 57 far 0 97 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6741 from nnoeabs.peaks (7.01, 6.98, 118.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: H ALA 57 + H ALA 57 OK 73 73 - 100 Reference assignment not found: H LYS 58 - H ALA 57 Peak 6742 from nnoeabs.peaks (7.01, 7.01, 118.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + H LYS 58 OK 100 100 - 100 Peak 6743 from nnoeabs.peaks (6.98, 7.01, 118.78 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: H LYS 58 + H LYS 58 OK 73 73 - 100 Reference assignment not found: H ALA 57 - H LYS 58 Peak 6744 from nnoeabs.peaks (4.17, 7.01, 118.78 ppm; 3.61 A increased from 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 57 + H LYS 58 OK 100 100 100 100 3.5-3.5 3.6=100 HA ALA 62 - H LYS 58 far 0 93 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 6745 from nnoeabs.peaks (1.44, 7.01, 118.78 ppm; 2.86 A): 1 out of 3 assignments used, quality = 0.92: * QB ALA 57 + H LYS 58 OK 92 100 100 92 2.7-2.9 1748=58, 9543/6749=35...(9) HG3 LYS 58 - H LYS 58 far 0 85 0 - 3.7-4.0 HB2 LEU 36 - H LYS 58 far 0 95 0 - 9.1-9.5 Violated in 2 structures by 0.00 A. Peak 6746 from nnoeabs.peaks (4.11, 7.01, 118.78 ppm; 3.27 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 ASP 53 - H LYS 58 far 0 100 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 6747 from nnoeabs.peaks (0.35, 7.01, 118.78 ppm; 3.75 A increased from 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 58 + H LYS 58 OK 100 100 100 100 3.6-3.7 3.7=100 QG2 ILE 61 - H LYS 58 far 0 98 0 - 4.7-5.2 QD2 LEU 55 - H LYS 58 far 0 92 0 - 5.0-5.2 Violated in 0 structures by 0.00 A. Peak 6748 from nnoeabs.peaks (1.55, 7.01, 118.78 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.98: * HB3 LYS 58 + H LYS 58 OK 98 100 100 98 2.4-2.8 3.7=61, 3.0/6749=47...(16) HG LEU 36 - H LYS 58 far 0 98 0 - 6.4-6.7 HB2 ARG 66 - H LYS 58 far 0 65 0 - 7.1-7.9 QB ALA 62 - H LYS 58 far 0 88 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 6749 from nnoeabs.peaks (1.28, 7.01, 118.78 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 58 + H LYS 58 OK 100 100 100 100 2.2-2.6 1782=66, 3.0/6748=53...(19) HB ILE 61 - H LYS 58 far 0 99 0 - 4.0-5.3 HG2 ARG 66 - H LYS 58 far 0 99 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 6750 from nnoeabs.peaks (1.47, 7.01, 118.78 ppm; 2.96 A): 1 out of 3 assignments used, quality = 0.77: QB ALA 57 + H LYS 58 OK 77 85 100 90 2.7-2.9 3.7=50, 9543/6749=32...(9) ! HG3 LYS 58 - H LYS 58 far 0 100 0 - 3.7-4.0 HB2 LEU 36 - H LYS 58 far 0 99 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6751 from nnoeabs.peaks (1.62, 7.01, 118.78 ppm; 4.09 A increased from 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 58 + H LYS 58 OK 100 100 100 100 3.1-4.1 1807/6748=85...(16) HB2 LEU 55 - H LYS 58 far 0 95 0 - 5.3-5.5 HB2 ARG 66 - H LYS 58 far 0 73 0 - 7.1-7.9 Violated in 1 structures by 0.00 A. Peak 6752 from nnoeabs.peaks (1.36, 7.01, 118.78 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + H LYS 58 OK 100 100 100 100 2.5-4.3 3.0/6749=68, 1.8/6751=67...(19) HB3 LYS 52 - H LYS 58 far 0 70 0 - 9.1-10.1 Violated in 1 structures by 0.02 A. Peak 6753 from nnoeabs.peaks (2.86, 7.01, 118.78 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 58 + H LYS 58 OK 100 100 100 100 4.0-5.1 1830/6749=88...(16) Violated in 3 structures by 0.01 A. Peak 6773 from nnoeabs.peaks (6.88, 6.88, 115.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TRP 60 + H TRP 60 OK 100 100 - 100 H ASP 65 + H ASP 65 OK 75 75 - 100 Peak 6775 from nnoeabs.peaks (4.21, 6.88, 115.11 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * HA HIS 59 + H TRP 60 OK 100 100 100 100 3.3-3.4 3.6=100 HA ALA 62 + H ASP 65 OK 60 60 100 100 4.5-4.6 2.1/8386=95, 8571=53...(8) HA ALA 62 - H TRP 60 far 0 88 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 6776 from nnoeabs.peaks (3.18, 6.88, 115.11 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.99: * HB2 HIS 59 + H TRP 60 OK 92 100 100 92 3.3-4.4 4.6=82, 1.8/1868=39...(4) HB3 HIS 59 + H TRP 60 OK 92 100 100 92 3.3-4.4 4.6=82, 1.8/1861=39...(4) HA LYS 52 - H ASP 65 far 0 55 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6777 from nnoeabs.peaks (3.18, 6.88, 115.11 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.99: * HB3 HIS 59 + H TRP 60 OK 92 100 100 92 3.3-4.4 4.6=82, 1.8/1861=39...(4) HB2 HIS 59 + H TRP 60 OK 92 100 100 92 3.3-4.4 4.6=82, 1.8/1868=39...(4) HA LYS 52 - H ASP 65 far 0 52 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6780 from nnoeabs.peaks (4.51, 6.88, 115.11 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * HA TRP 60 + H TRP 60 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 65 + H ASP 65 OK 40 40 100 100 2.7-2.8 3.0=100 HA ASN 68 - H ASP 65 far 0 75 0 - 7.3-7.3 HA TRP 60 - H ASP 65 far 0 75 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 6781 from nnoeabs.peaks (2.97, 6.88, 115.11 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TRP 60 + H TRP 60 OK 100 100 100 100 2.6-2.9 1871/3.0=75, 4.0=73...(8) HB3 ASN 68 - H ASP 65 far 0 42 0 - 4.9-5.0 HB2 ASN 68 - H ASP 65 far 0 42 0 - 6.3-6.4 HE3 LYS 58 - H TRP 60 far 0 65 0 - 7.2-7.8 HB2 ASN 71 - H ASP 65 far 0 61 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 6782 from nnoeabs.peaks (3.58, 6.88, 115.11 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TRP 60 + H TRP 60 OK 100 100 100 100 3.6-3.7 4.0=87, 1.8/6781=80...(9) HA ILE 67 - H ASP 65 far 0 69 0 - 6.8-6.9 HA GLU 56 - H TRP 60 far 0 73 0 - 7.1-7.5 HA GLU 56 - H ASP 65 far 0 48 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6783 from nnoeabs.peaks (7.19, 6.88, 115.11 ppm; 3.31 A): 1 out of 4 assignments used, quality = 0.97: * HD1 TRP 60 + H TRP 60 OK 97 100 100 97 2.3-2.4 9579=71, 1883/6781=36...(9) HZ3 TRP 60 - H TRP 60 far 0 84 0 - 7.0-7.1 HZ3 TRP 60 - H ASP 65 far 0 56 0 - 8.7-9.0 HE21 GLN 27 - H TRP 60 far 0 92 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 6784 from nnoeabs.peaks (7.30, 6.88, 115.11 ppm; 3.48 A): 0 out of 4 assignments used, quality = 0.00: ! HE3 TRP 60 - H TRP 60 far 0 100 0 - 5.1-5.2 HZ PHE 10 - H TRP 60 far 0 92 0 - 6.0-6.4 HZ PHE 10 - H ASP 65 far 0 63 0 - 6.7-6.9 HE3 TRP 60 - H ASP 65 far 0 75 0 - 9.0-9.3 Violated in 20 structures by 1.30 A. Peak 6788 from nnoeabs.peaks (6.97, 6.88, 115.11 ppm; 3.24 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 61 + H TRP 60 OK 100 100 100 100 2.2-2.6 6790=100, 9628/3.6=31...(11) H LYS 58 - H TRP 60 far 0 61 0 - 5.1-5.4 H ALA 57 - H TRP 60 far 0 100 0 - 7.5-7.9 HD2 HIS 7 - H ASP 65 far 0 67 0 - 8.3-15.1 H ILE 61 - H ASP 65 far 0 75 0 - 8.4-8.6 HE21 GLN 72 - H ASP 65 far 0 68 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6789 from nnoeabs.peaks (6.97, 6.97, 123.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 61 + H ILE 61 OK 100 100 - 100 Peak 6790 from nnoeabs.peaks (6.88, 6.97, 123.95 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.99: * H TRP 60 + H ILE 61 OK 99 100 100 99 2.2-2.6 6788=93, 3.6/9628=29...(12) H ASP 65 - H ILE 61 far 0 100 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 6792 from nnoeabs.peaks (2.97, 6.97, 123.95 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 60 + H ILE 61 OK 100 100 100 100 4.3-4.4 4.3=100 HE3 LYS 58 - H ILE 61 far 0 65 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 6793 from nnoeabs.peaks (3.58, 6.97, 123.95 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 60 + H ILE 61 OK 100 100 100 100 4.4-4.4 4.3=100 HA GLU 56 - H ILE 61 far 0 73 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 6794 from nnoeabs.peaks (7.19, 6.97, 123.95 ppm; 4.42 A increased from 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 60 + H ILE 61 OK 100 100 100 100 4.2-4.5 6783/6790=79, 9578=68...(11) HZ3 TRP 60 - H ILE 61 far 0 84 0 - 6.5-6.6 HE21 GLN 27 - H ILE 61 far 0 92 0 - 9.0-9.6 Violated in 2 structures by 0.00 A. Peak 6795 from nnoeabs.peaks (7.30, 6.97, 123.95 ppm; 5.05 A increased from 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HE3 TRP 60 + H ILE 61 OK 100 100 100 100 4.9-5.0 1874/3.6=72, 1894/4.3=66...(11) HZ PHE 10 + H ILE 61 OK 88 92 100 96 4.9-5.2 11038/1915=57...(8) Violated in 0 structures by 0.00 A. Peak 6799 from nnoeabs.peaks (3.90, 6.97, 123.95 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 61 + H ILE 61 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6800 from nnoeabs.peaks (1.27, 6.97, 123.95 ppm; 2.93 A): 1 out of 3 assignments used, quality = 0.98: * HB ILE 61 + H ILE 61 OK 98 100 100 98 2.2-2.8 1907=63, 3.0/6802=44...(13) HG2 LYS 58 - H ILE 61 far 0 99 0 - 5.8-6.3 HG2 ARG 66 - H ILE 61 far 0 94 0 - 7.3-9.6 Violated in 0 structures by 0.00 A. Peak 6801 from nnoeabs.peaks (0.34, 6.97, 123.95 ppm; 3.97 A increased from 3.17 A): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 61 + H ILE 61 OK 100 100 100 100 3.6-3.8 1915=100, 2.1/6800=92...(15) HB2 LYS 58 + H ILE 61 OK 96 98 100 98 3.4-4.2 1.8/9618=75...(12) QD2 LEU 55 - H ILE 61 far 0 100 0 - 6.3-6.8 Violated in 0 structures by 0.00 A. Peak 6802 from nnoeabs.peaks (0.04, 6.97, 123.95 ppm; 3.05 A): 0 out of 2 assignments used, quality = 0.00: ! HG12 ILE 61 - H ILE 61 poor 20 100 20 98 1.9-3.9 2.1/6804=62, 3.0/6800=49...(16) HG13 ILE 61 - H ILE 61 far 15 100 15 - 3.5-4.3 Violated in 16 structures by 0.43 A. Peak 6803 from nnoeabs.peaks (0.03, 6.97, 123.95 ppm; 3.05 A): 0 out of 2 assignments used, quality = 0.00: HG12 ILE 61 - H ILE 61 poor 20 100 20 - 1.9-3.9 ! HG13 ILE 61 - H ILE 61 far 15 100 15 - 3.5-4.3 Violated in 16 structures by 0.43 A. Peak 6804 from nnoeabs.peaks (0.10, 6.97, 123.95 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.99: * QD1 ILE 61 + H ILE 61 OK 99 100 100 99 2.4-3.0 2.1/6802=62...(17) Violated in 0 structures by 0.00 A. Peak 6805 from nnoeabs.peaks (9.34, 6.97, 123.95 ppm; 4.61 A increased from 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + H ILE 61 OK 100 100 100 100 4.5-4.6 4.6=99, 6808/2.9=95...(12) Violated in 0 structures by 0.00 A. Peak 6806 from nnoeabs.peaks (9.34, 9.34, 132.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + H ALA 62 OK 100 100 - 100 Peak 6807 from nnoeabs.peaks (6.97, 9.34, 132.16 ppm; 4.79 A increased from 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 61 + H ALA 62 OK 100 100 100 100 4.5-4.6 4.6=100 H LYS 58 - H ALA 62 far 0 61 0 - 7.9-8.3 HD2 HIS 7 - H ALA 62 far 0 96 0 - 8.3-13.7 H ALA 57 - H ALA 62 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 6808 from nnoeabs.peaks (3.90, 9.34, 132.16 ppm; 2.69 A): 1 out of 1 assignment used, quality = 0.97: * HA ILE 61 + H ALA 62 OK 97 100 100 97 2.2-2.6 1906=80, 1902/6810=35...(14) Violated in 0 structures by 0.00 A. Peak 6809 from nnoeabs.peaks (1.27, 9.34, 132.16 ppm; 4.42 A increased from 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 61 + H ALA 62 OK 100 100 100 100 2.9-4.3 4.4=100 HG2 ARG 66 - H ALA 62 far 14 94 15 - 4.3-7.8 HG2 LYS 58 - H ALA 62 far 0 99 0 - 9.1-9.2 HG12 ILE 67 - H ALA 62 far 0 85 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6810 from nnoeabs.peaks (0.34, 9.34, 132.16 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 61 + H ALA 62 OK 100 100 100 100 1.7-2.3 1922=83, 1902/6808=53...(18) QD2 LEU 55 - H ALA 62 far 0 100 0 - 6.0-6.4 HB2 LYS 58 - H ALA 62 far 0 98 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 6811 from nnoeabs.peaks (0.04, 9.34, 132.16 ppm; 4.72 A increased from 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 61 + H ALA 62 OK 100 100 100 100 4.8-5.1 2.1/6813=91, 3.2/6810=89...(11) HG13 ILE 61 + H ALA 62 OK 100 100 100 100 3.8-4.7 2.1/6813=91, 3.2/6810=89...(11) Violated in 0 structures by 0.00 A. Peak 6812 from nnoeabs.peaks (0.03, 9.34, 132.16 ppm; 4.72 A increased from 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 61 + H ALA 62 OK 100 100 100 100 3.8-4.7 2.1/6813=91, 3.2/6810=89...(11) HG12 ILE 61 + H ALA 62 OK 100 100 100 100 4.8-5.1 2.1/6813=91, 3.2/6810=89...(11) Violated in 0 structures by 0.00 A. Peak 6813 from nnoeabs.peaks (0.10, 9.34, 132.16 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 61 + H ALA 62 OK 100 100 100 100 3.4-4.0 1905/6808=72...(14) Violated in 3 structures by 0.01 A. Peak 6814 from nnoeabs.peaks (4.19, 9.34, 132.16 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 62 + H ALA 62 OK 100 100 100 100 2.9-2.9 3.0=100 HA HIS 59 - H ALA 62 far 0 88 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 6815 from nnoeabs.peaks (1.58, 9.34, 132.16 ppm; 2.60 A): 1 out of 6 assignments used, quality = 0.98: * QB ALA 62 + H ALA 62 OK 98 100 100 98 2.1-2.6 1951=93, 8389/6808=24...(9) HB2 ARG 66 - H ALA 62 far 0 98 0 - 5.6-6.6 HB2 LEU 55 - H ALA 62 far 0 81 0 - 5.9-7.2 HB3 LYS 58 - H ALA 62 far 0 88 0 - 6.4-6.6 HG13 ILE 67 - H ALA 62 far 0 90 0 - 7.4-7.8 HG LEU 36 - H ALA 62 far 0 99 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 6816 from nnoeabs.peaks (8.80, 9.34, 132.16 ppm; 4.80 A increased from 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + H ALA 62 OK 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 6817 from nnoeabs.peaks (8.80, 8.80, 123.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + H GLU 63 OK 100 100 - 100 Peak 6818 from nnoeabs.peaks (9.34, 8.80, 123.94 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + H GLU 63 OK 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 6819 from nnoeabs.peaks (4.19, 8.80, 123.94 ppm; 2.86 A): 1 out of 2 assignments used, quality = 0.97: * HA ALA 62 + H GLU 63 OK 97 100 100 97 2.2-2.3 1950=81, 2.1/6820=55...(7) HA HIS 59 - H GLU 63 far 0 88 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 6820 from nnoeabs.peaks (1.58, 8.80, 123.94 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 62 + H GLU 63 OK 100 100 100 100 2.8-3.0 1954=91, 2.1/6819=66...(11) HG13 ILE 67 - H GLU 63 far 0 90 0 - 5.3-5.3 HB2 ARG 66 - H GLU 63 far 0 98 0 - 7.0-7.3 HB2 LEU 55 - H GLU 63 far 0 81 0 - 8.1-8.7 HB3 LYS 58 - H GLU 63 far 0 88 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 6821 from nnoeabs.peaks (3.67, 8.80, 123.94 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 63 + H GLU 63 OK 100 100 100 100 2.7-2.7 3.0=100 HA LEU 55 - H GLU 63 far 0 70 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 6822 from nnoeabs.peaks (2.10, 8.80, 123.94 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.98: * HB2 GLU 63 + H GLU 63 OK 98 100 100 98 2.4-2.5 1.8/6823=69, 4.0=52...(12) Violated in 0 structures by 0.00 A. Peak 6823 from nnoeabs.peaks (1.94, 8.80, 123.94 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLU 63 + H GLU 63 OK 99 100 100 99 2.6-2.7 1.8/6822=72, 4.0=54...(12) Violated in 0 structures by 0.00 A. Peak 6826 from nnoeabs.peaks (8.85, 8.80, 123.94 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 64 + H GLU 63 OK 100 100 100 100 3.1-3.2 6829=98, 6832/6823=47...(10) Violated in 2 structures by 0.00 A. Peak 6828 from nnoeabs.peaks (8.85, 8.85, 117.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 64 + H ALA 64 OK 100 100 - 100 Peak 6829 from nnoeabs.peaks (8.80, 8.85, 117.44 ppm; 3.18 A increased from 2.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + H ALA 64 OK 100 100 100 100 3.1-3.2 6826=100, 6823/6832=47...(10) Violated in 1 structures by 0.00 A. Peak 6830 from nnoeabs.peaks (3.67, 8.85, 117.44 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 63 + H ALA 64 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6831 from nnoeabs.peaks (2.10, 8.85, 117.44 ppm; 3.68 A increased from 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 63 + H ALA 64 OK 100 100 100 100 3.6-3.7 1971=93, 1.8/6832=89...(18) Violated in 0 structures by 0.00 A. Peak 6832 from nnoeabs.peaks (1.94, 8.85, 117.44 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 63 + H ALA 64 OK 99 100 100 99 2.1-2.2 1978=51, 1.8/6831=50...(16) HB3 LEU 70 - H ALA 64 far 0 100 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 6833 from nnoeabs.peaks (2.17, 8.85, 117.44 ppm; 3.39 A increased from 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 63 + H ALA 64 OK 100 100 100 100 3.3-3.3 1985=100, 3.0/6832=59...(16) HG3 GLU 63 - H ALA 64 far 5 100 5 - 3.9-4.4 Violated in 0 structures by 0.00 A. Peak 6834 from nnoeabs.peaks (2.17, 8.85, 117.44 ppm; 3.39 A increased from 3.19 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLU 63 + H ALA 64 OK 100 100 100 100 3.3-3.3 1992=100, 3.0/6832=59...(16) ! HG3 GLU 63 - H ALA 64 far 5 100 5 - 3.9-4.4 Violated in 0 structures by 0.00 A. Peak 6835 from nnoeabs.peaks (3.99, 8.85, 117.44 ppm; 2.80 A): 1 out of 1 assignment used, quality = 0.99: * HA ALA 64 + H ALA 64 OK 99 100 100 99 2.8-2.8 3.0=86, 2.1/6836=69...(12) Violated in 0 structures by 0.00 A. Peak 6836 from nnoeabs.peaks (1.38, 8.85, 117.44 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.98: * QB ALA 64 + H ALA 64 OK 98 100 100 98 2.1-2.2 1999=81, 2.1/6835=43...(14) Violated in 0 structures by 0.00 A. Peak 6837 from nnoeabs.peaks (6.88, 8.85, 117.44 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 65 + H ALA 64 OK 100 100 100 100 2.8-2.9 6842=96, 6844/6836=60...(11) Violated in 0 structures by 0.00 A. Peak 6838 from nnoeabs.peaks (7.83, 8.85, 117.44 ppm; 4.40 A increased from 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + H ALA 64 OK 100 100 100 100 4.2-4.4 6852=100, 6854/6837=88...(12) Violated in 1 structures by 0.00 A. Peak 6839 from nnoeabs.peaks (6.88, 6.88, 115.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 65 + H ASP 65 OK 100 100 - 100 H TRP 60 + H TRP 60 OK 75 75 - 100 Peak 6840 from nnoeabs.peaks (8.80, 6.88, 115.50 ppm; 4.49 A increased from 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 63 + H ASP 65 OK 100 100 100 100 4.3-4.4 6820/8412=90...(7) H GLU 63 - H TRP 60 far 0 75 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 6841 from nnoeabs.peaks (3.67, 6.88, 115.50 ppm; 4.82 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 63 + H ASP 65 OK 100 100 100 100 4.5-4.6 3.6/6837=87, 9668=84...(10) HA LEU 55 - H TRP 60 far 0 45 0 - 6.6-7.2 HB3 SER 9 - H ASP 65 far 0 85 0 - 7.6-8.3 HB2 SER 9 - H ASP 65 far 0 82 0 - 8.5-9.4 HA LEU 55 - H ASP 65 far 0 70 0 - 9.3-9.8 HA GLU 63 - H TRP 60 far 0 75 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6842 from nnoeabs.peaks (8.85, 6.88, 115.50 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 64 + H ASP 65 OK 100 100 100 100 2.8-2.9 6837=100, 6836/6844=61...(10) Violated in 0 structures by 0.00 A. Peak 6843 from nnoeabs.peaks (3.99, 6.88, 115.50 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 64 + H ASP 65 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6844 from nnoeabs.peaks (1.38, 6.88, 115.50 ppm; 2.82 A): 1 out of 3 assignments used, quality = 0.98: * QB ALA 64 + H ASP 65 OK 98 100 100 98 2.5-2.6 2002=73, 6836/6837=51...(9) HD3 LYS 58 - H TRP 60 far 0 69 0 - 5.1-5.9 QB ALA 3 - H TRP 60 far 0 72 0 - 8.7-16.5 Violated in 0 structures by 0.00 A. Peak 6845 from nnoeabs.peaks (4.55, 6.88, 115.50 ppm; 3.07 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 65 + H ASP 65 OK 100 100 100 100 2.7-2.8 3.0=100 HA TRP 60 + H TRP 60 OK 40 40 100 100 2.9-2.9 3.0=100 HA ASN 68 - H ASP 65 far 0 61 0 - 7.3-7.3 HA ILE 11 - H ASP 65 far 0 88 0 - 9.5-9.7 HA TRP 60 - H ASP 65 far 0 63 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 6846 from nnoeabs.peaks (2.46, 6.88, 115.50 ppm; 3.60 A increased from 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 65 + H ASP 65 OK 100 100 100 100 3.1-3.6 2011=99, 1.8/6847=87...(6) HB2 ASP 65 - H TRP 60 far 0 75 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 6847 from nnoeabs.peaks (2.65, 6.88, 115.50 ppm; 3.04 A): 1 out of 3 assignments used, quality = 0.97: * HB3 ASP 65 + H ASP 65 OK 97 100 100 97 2.1-2.5 1.8/6846=52, 2016=51...(10) HB3 PHE 10 - H ASP 65 far 0 100 0 - 7.2-7.4 HB3 ASP 65 - H TRP 60 far 0 75 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6848 from nnoeabs.peaks (7.83, 6.88, 115.50 ppm; 2.95 A increased from 2.78 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 66 + H ASP 65 OK 100 100 100 100 2.8-2.9 6854=100, 6857/6847=37...(11) H ARG 66 - H TRP 60 far 0 75 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6849 from nnoeabs.peaks (8.54, 6.88, 115.50 ppm; 4.08 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 67 + H ASP 65 OK 100 100 100 100 4.0-4.2 6870=81, 6865/6854=75...(9) H GLU 56 - H TRP 60 far 0 74 0 - 8.4-8.9 H SER 9 - H ASP 65 far 0 71 0 - 9.4-9.6 H ILE 28 - H ASP 65 far 0 91 0 - 9.6-9.9 H GLU 56 - H ASP 65 far 0 100 0 - 9.9-10.5 Violated in 3 structures by 0.01 A. Peak 6850 from nnoeabs.peaks (7.83, 7.83, 120.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + H ARG 66 OK 100 100 - 100 Peak 6851 from nnoeabs.peaks (3.67, 7.83, 120.22 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 63 + H ARG 66 OK 100 100 100 100 3.6-3.7 1962=95, 1964/6860=52...(17) HA LEU 55 - H ARG 66 far 0 70 0 - 7.3-7.7 HB3 SER 9 - H ARG 66 far 0 85 0 - 9.1-9.5 HB2 SER 9 - H ARG 66 far 0 82 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 6852 from nnoeabs.peaks (8.85, 7.83, 120.22 ppm; 4.31 A increased from 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 64 + H ARG 66 OK 100 100 100 100 4.2-4.4 6838=93, 6837/6854=86...(12) Violated in 1 structures by 0.01 A. Peak 6853 from nnoeabs.peaks (3.99, 7.83, 120.22 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 64 + H ARG 66 OK 100 100 100 100 4.1-4.4 3.6/6854=91, 2.1/9694=85...(11) Violated in 0 structures by 0.00 A. Peak 6854 from nnoeabs.peaks (6.88, 7.83, 120.22 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + H ARG 66 OK 100 100 100 100 2.8-2.9 6848=96, 6847/6857=36...(11) H TRP 60 - H ARG 66 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6855 from nnoeabs.peaks (4.55, 7.83, 120.22 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 65 + H ARG 66 OK 100 100 100 100 3.5-3.6 3.6=100 HA ASN 68 - H ARG 66 far 0 61 0 - 6.8-7.0 HA ILE 11 - H ARG 66 far 0 88 0 - 9.1-9.3 HA TRP 60 - H ARG 66 far 0 63 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6856 from nnoeabs.peaks (2.46, 7.83, 120.22 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 65 + H ARG 66 OK 100 100 100 100 3.4-4.1 1.8/6857=80, 2015=79...(5) Violated in 1 structures by 0.01 A. Peak 6857 from nnoeabs.peaks (2.65, 7.83, 120.22 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ASP 65 + H ARG 66 OK 99 100 100 99 2.7-2.9 1.8/6856=66...(9) HB3 PHE 10 - H ARG 66 far 0 100 0 - 6.4-6.7 HG3 GLN 72 - H ARG 66 far 0 93 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6858 from nnoeabs.peaks (3.46, 7.83, 120.22 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 66 + H ARG 66 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6859 from nnoeabs.peaks (1.59, 7.83, 120.22 ppm; 3.65 A increased from 3.08 A): 3 out of 8 assignments used, quality = 1.00: * HB2 ARG 66 + H ARG 66 OK 100 100 100 100 3.4-3.6 2033=89, 1.8/6860=83...(12) HG13 ILE 67 + H ARG 66 OK 98 99 100 99 4.1-4.2 6874/6865=61...(14) QB ALA 62 + H ARG 66 OK 78 98 80 99 4.0-4.3 8412/6854=69, 9646=55...(8) HB2 LEU 55 - H ARG 66 far 0 96 0 - 5.3-5.8 HB2 LEU 70 - H ARG 66 far 0 95 0 - 7.9-8.3 HB3 LYS 58 - H ARG 66 far 0 65 0 - 8.5-9.2 HD2 LYS 58 - H ARG 66 far 0 73 0 - 8.9-9.5 HG LEU 36 - H ARG 66 far 0 88 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 6860 from nnoeabs.peaks (1.71, 7.83, 120.22 ppm; 3.25 A): 1 out of 4 assignments used, quality = 0.98: * HB3 ARG 66 + H ARG 66 OK 98 100 100 98 2.3-3.2 2043=65, 1.8/2033=55...(13) HG LEU 55 - H ARG 66 far 0 79 0 - 6.5-7.1 HB VAL 25 - H ARG 66 far 0 100 0 - 9.0-9.3 HB3 LEU 36 - H ARG 66 far 0 73 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 6861 from nnoeabs.peaks (1.29, 7.83, 120.22 ppm; 4.18 A increased from 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 66 + H ARG 66 OK 100 100 100 100 2.1-4.0 2052=82, 2.9/6860=79...(12) HB ILE 61 - H ARG 66 far 0 94 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 6862 from nnoeabs.peaks (1.13, 7.83, 120.22 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + H ARG 66 OK 100 100 100 100 1.9-2.9 2.9/6860=81, 1.8/6861=79...(12) HG LEU 51 - H ARG 66 far 0 91 0 - 8.1-8.6 QD1 LEU 36 - H ARG 66 far 0 94 0 - 8.6-8.8 HD3 LYS 52 - H ARG 66 far 0 84 0 - 9.5-11.2 QG2 THR 5 - H ARG 66 far 0 100 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 6865 from nnoeabs.peaks (8.54, 7.83, 120.22 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 67 + H ARG 66 OK 100 100 100 100 2.3-2.4 6872=87, 6875/6860=41...(24) H GLU 56 - H ARG 66 far 0 100 0 - 7.5-8.0 H ILE 28 - H ARG 66 far 0 91 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 6867 from nnoeabs.peaks (8.54, 8.54, 117.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ILE 67 + H ILE 67 OK 100 100 - 100 H ASP 46 + H ASP 46 OK 60 60 - 100 Peak 6868 from nnoeabs.peaks (3.67, 8.54, 117.57 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 63 + H ILE 67 OK 100 100 100 100 3.9-4.0 10457=98, 1963/6874=89...(15) HA GLN 50 - H ASP 46 far 0 61 0 - 6.8-7.3 HA LEU 55 - H ILE 67 far 0 70 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 6869 from nnoeabs.peaks (3.99, 8.54, 117.57 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 64 + H ILE 67 OK 100 100 100 100 3.1-3.2 1997=100, 1998/6881=73...(12) Violated in 0 structures by 0.00 A. Peak 6870 from nnoeabs.peaks (6.88, 8.54, 117.57 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + H ILE 67 OK 100 100 100 100 4.0-4.2 6849=100, 6854/6865=82...(9) QD PHE 41 - H ASP 46 far 0 68 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 6871 from nnoeabs.peaks (4.55, 8.54, 117.57 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.93: * HA ASP 65 + H ILE 67 OK 88 100 90 98 4.5-4.8 3.6/6865=66, 3.0/6849=63...(7) HA ALA 45 + H ASP 46 OK 46 46 100 100 2.1-2.2 3.6=100 HA ASN 68 - H ILE 67 far 0 61 0 - 5.3-5.4 HA ILE 11 - H ILE 67 far 0 88 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6872 from nnoeabs.peaks (7.83, 8.54, 117.57 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 66 + H ILE 67 OK 100 100 100 100 2.3-2.4 6865=100, 6860/6875=45...(24) H ALA 47 - H ASP 46 far 6 60 10 - 4.0-4.2 HE22 GLN 49 - H ASP 46 far 0 79 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 6873 from nnoeabs.peaks (3.46, 8.54, 117.57 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 66 + H ILE 67 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLN 49 - H ASP 46 far 0 79 0 - 7.8-8.2 HA LEU 51 - H ASP 46 far 0 75 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 6874 from nnoeabs.peaks (1.59, 8.54, 117.57 ppm; 3.04 A): 1 out of 9 assignments used, quality = 0.99: HG13 ILE 67 + H ILE 67 OK 99 99 100 100 2.5-2.5 2124=84, 2.1/2132=55...(21) ! HB2 ARG 66 - H ILE 67 far 0 100 0 - 4.1-4.2 QB ALA 62 - H ILE 67 far 0 98 0 - 5.4-5.7 HB2 ARG 44 - H ASP 46 far 0 51 0 - 5.9-6.6 HG2 ARG 44 - H ASP 46 far 0 72 0 - 6.2-8.5 HB2 LEU 55 - H ILE 67 far 0 96 0 - 6.3-6.7 HB2 LEU 70 - H ILE 67 far 0 95 0 - 6.4-6.7 HB2 GLN 50 - H ASP 46 far 0 45 0 - 6.5-7.4 HG3 ARG 44 - H ASP 46 far 0 70 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 6875 from nnoeabs.peaks (1.71, 8.54, 117.57 ppm; 3.75 A increased from 3.53 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ARG 66 + H ILE 67 OK 99 100 100 99 2.8-3.6 2051=77, 6860/6865=60...(13) HG LEU 55 - H ILE 67 far 0 79 0 - 7.4-7.8 HB VAL 25 - H ILE 67 far 0 100 0 - 9.5-10.0 HG12 ILE 23 - H ASP 46 far 0 78 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 6876 from nnoeabs.peaks (1.29, 8.54, 117.57 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 66 + H ILE 67 OK 100 100 100 100 2.9-3.4 2060=83, 11166/2132=74...(13) HB ILE 61 - H ILE 67 far 0 94 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 6877 from nnoeabs.peaks (1.13, 8.54, 117.57 ppm; 5.02 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + H ILE 67 OK 100 100 100 100 2.2-3.8 1.8/6876=96, 2069=94...(15) HG LEU 51 - H ILE 67 far 0 91 0 - 7.8-8.3 HD3 LYS 52 - H ILE 67 far 0 84 0 - 8.5-10.2 HB2 LEU 51 - H ASP 46 far 0 57 0 - 9.5-10.6 HD3 LYS 52 - H ASP 46 far 0 60 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 6880 from nnoeabs.peaks (3.56, 8.54, 117.57 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 67 + H ILE 67 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 56 - H ILE 67 far 0 94 0 - 8.0-8.7 HD2 PRO 43 - H ASP 46 far 0 48 0 - 8.5-9.3 HA TRP 48 - H ASP 46 far 0 70 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 6881 from nnoeabs.peaks (1.81, 8.54, 117.57 ppm; 3.04 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 67 + H ILE 67 OK 100 100 100 100 2.4-2.6 2100=84, 3.0/6874=48...(22) HB3 GLU 56 - H ILE 67 far 0 91 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 6882 from nnoeabs.peaks (0.90, 8.54, 117.57 ppm; 3.76 A increased from 3.34 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 67 + H ILE 67 OK 100 100 100 100 3.7-3.8 2108=98, 2.1/6881=85...(22) QG1 VAL 69 - H ILE 67 far 0 99 0 - 5.0-5.3 HG3 LYS 52 - H ILE 67 far 0 57 0 - 7.1-10.0 Violated in 3 structures by 0.00 A. Peak 6883 from nnoeabs.peaks (1.25, 8.54, 117.57 ppm; 4.01 A increased from 3.38 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 67 + H ILE 67 OK 100 100 100 100 3.8-3.9 2116=100, 1.8/6884=95...(20) HB ILE 61 - H ILE 67 far 0 85 0 - 7.5-8.2 HG13 ILE 23 - H ASP 46 far 0 69 0 - 8.7-9.0 HD2 LYS 52 - H ILE 67 far 0 100 0 - 9.2-10.7 HD2 LYS 52 - H ASP 46 far 0 79 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 6884 from nnoeabs.peaks (1.60, 8.54, 117.57 ppm; 3.04 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 67 + H ILE 67 OK 100 100 100 100 2.5-2.5 2124=84, 2.1/2132=55...(21) HB2 ARG 66 - H ILE 67 far 0 99 0 - 4.1-4.2 QB ALA 62 - H ILE 67 far 0 90 0 - 5.4-5.7 HB2 ARG 44 - H ASP 46 far 0 64 0 - 5.9-6.6 HG2 ARG 44 - H ASP 46 far 0 61 0 - 6.2-8.5 HB2 LEU 55 - H ILE 67 far 0 100 0 - 6.3-6.7 HB2 LEU 70 - H ILE 67 far 0 99 0 - 6.4-6.7 HB2 GLN 50 - H ASP 46 far 0 59 0 - 6.5-7.4 HG3 ARG 44 - H ASP 46 far 0 59 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 6885 from nnoeabs.peaks (0.80, 8.54, 117.57 ppm; 3.52 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 67 + H ILE 67 OK 100 100 100 100 2.1-2.8 2132=100, 2.1/6874=78...(26) QG2 VAL 69 + H ILE 67 OK 80 90 100 89 3.8-3.9 8455/3.6=40...(13) HB3 LEU 55 - H ILE 67 far 0 73 0 - 6.5-6.9 HG2 LYS 52 - H ILE 67 far 0 99 0 - 7.3-10.1 QD2 LEU 36 - H ILE 67 far 0 99 0 - 7.8-8.1 QG2 ILE 23 - H ASP 46 far 0 79 0 - 8.6-9.0 HG2 LYS 52 - H ASP 46 far 0 78 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 6886 from nnoeabs.peaks (7.59, 8.54, 117.57 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 68 + H ILE 67 OK 100 100 100 100 2.7-2.8 6893=100, 6895/6881=59...(14) H GLN 49 - H ASP 46 far 0 63 0 - 6.0-6.3 H ARG 44 - H ASP 46 far 0 79 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 6887 from nnoeabs.peaks (7.68, 8.54, 117.57 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 69 + H ILE 67 OK 100 100 100 100 4.3-4.4 6922=100, 6905/6893=92...(10) H LEU 51 - H ASP 46 far 0 75 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 6888 from nnoeabs.peaks (7.59, 7.59, 117.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 68 + H ASN 68 OK 100 100 - 100 Peak 6889 from nnoeabs.peaks (3.99, 7.59, 117.20 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 64 + H ASN 68 OK 100 100 100 100 3.0-3.1 9696=100, 1998/6895=78...(8) Violated in 0 structures by 0.00 A. Peak 6890 from nnoeabs.peaks (4.55, 7.59, 117.20 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.61: HA ASN 68 + H ASN 68 OK 61 61 100 100 2.8-2.8 3.0=100 ! HA ASP 65 - H ASN 68 far 0 100 0 - 4.2-4.3 HA ILE 11 - H ASN 68 far 0 88 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 6891 from nnoeabs.peaks (7.83, 7.59, 117.20 ppm; 4.28 A increased from 4.02 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 66 + H ASN 68 OK 99 100 100 99 4.1-4.3 6865/6893=75...(10) Violated in 1 structures by 0.00 A. Peak 6893 from nnoeabs.peaks (8.54, 7.59, 117.20 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 67 + H ASN 68 OK 100 100 100 100 2.7-2.8 6886=76, 6881/6895=49...(14) Violated in 0 structures by 0.00 A. Peak 6894 from nnoeabs.peaks (3.56, 7.59, 117.20 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 67 + H ASN 68 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6895 from nnoeabs.peaks (1.81, 7.59, 117.20 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 67 + H ASN 68 OK 100 100 100 100 2.3-2.4 2107=71, 2.1/6896=60...(13) Violated in 0 structures by 0.00 A. Peak 6896 from nnoeabs.peaks (0.90, 7.59, 117.20 ppm; 3.37 A increased from 3.18 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 67 + H ASN 68 OK 100 100 100 100 3.1-3.3 2115=86, 2.1/6895=69...(14) QG1 VAL 69 - H ASN 68 far 0 99 0 - 4.3-4.4 HG3 LYS 52 - H ASN 68 far 0 57 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 6897 from nnoeabs.peaks (1.25, 7.59, 117.20 ppm; 5.20 A increased from 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 67 + H ASN 68 OK 100 100 100 100 4.9-5.0 2123=100, 3.0/6895=96...(11) HB ILE 61 - H ASN 68 far 0 85 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 6898 from nnoeabs.peaks (1.60, 7.59, 117.20 ppm; 4.30 A increased from 3.83 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 67 + H ASN 68 OK 100 100 100 100 4.2-4.3 2131=85, 3.0/6895=81...(11) HB2 ARG 66 - H ASN 68 far 0 99 0 - 6.2-6.3 QB ALA 62 - H ASN 68 far 0 90 0 - 6.4-6.6 HB2 LEU 70 - H ASN 68 far 0 99 0 - 6.8-6.9 HB2 LEU 55 - H ASN 68 far 0 100 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 6899 from nnoeabs.peaks (0.80, 7.59, 117.20 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 67 + H ASN 68 OK 100 100 100 100 4.1-4.4 2135/6896=75, 2139=68...(10) QG2 VAL 69 + H ASN 68 OK 88 90 100 98 3.9-3.9 2182/6905=62...(9) HB3 LEU 55 - H ASN 68 far 0 73 0 - 8.5-8.7 QD2 LEU 36 - H ASN 68 far 0 99 0 - 8.6-8.8 HG2 LYS 52 - H ASN 68 far 0 99 0 - 8.9-11.7 QG2 VAL 102 - H ASN 68 far 0 61 0 - 9.4-9.7 QD1 ILE 11 - H ASN 68 far 0 68 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 6900 from nnoeabs.peaks (4.51, 7.59, 117.20 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 68 + H ASN 68 OK 100 100 100 100 2.8-2.8 3.0=100 HA ASP 65 - H ASN 68 far 0 61 0 - 4.2-4.3 Violated in 0 structures by 0.00 A. Peak 6901 from nnoeabs.peaks (3.00, 7.59, 117.20 ppm; 2.56 A): 2 out of 2 assignments used, quality = 0.99: HB3 ASN 68 + H ASN 68 OK 95 100 100 95 2.1-2.1 2151=43, 6926/6905=33...(18) * HB2 ASN 68 + H ASN 68 OK 90 100 100 90 3.0-3.1 2159=41, 1.8/2159=29...(14) Violated in 0 structures by 0.00 A. Peak 6902 from nnoeabs.peaks (3.00, 7.59, 117.20 ppm; 2.56 A): 2 out of 2 assignments used, quality = 0.99: * HB3 ASN 68 + H ASN 68 OK 95 100 100 95 2.1-2.1 2151=43, 6926/6905=33...(18) HB2 ASN 68 + H ASN 68 OK 90 100 100 90 3.0-3.1 2159=41, 1.8/2159=29...(14) Violated in 0 structures by 0.00 A. Peak 6904 from nnoeabs.peaks (7.99, 7.59, 117.20 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 68 + H ASN 68 OK 100 100 100 100 3.6-3.8 6914=100, 6917/3.8=74...(10) Violated in 0 structures by 0.00 A. Peak 6905 from nnoeabs.peaks (7.68, 7.59, 117.20 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.87: * H VAL 69 + H ASN 68 OK 87 100 100 87 2.9-2.9 6926/3.8=37...(9) Violated in 0 structures by 0.00 A. Peak 6906 from nnoeabs.peaks (8.17, 7.59, 117.20 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + H ASN 68 OK 100 100 100 100 4.1-4.2 6939=100, 6941/6905=88...(8) H PHE 10 - H ASN 68 far 0 100 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 6907 from nnoeabs.peaks (7.05, 7.05, 114.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 68 + HD21 ASN 68 OK 100 100 - 100 HE21 GLN 81 + HE21 GLN 81 OK 32 32 - 100 Peak 6908 from nnoeabs.peaks (7.59, 7.05, 114.06 ppm; 5.33 A increased from 4.49 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 68 + HD21 ASN 68 OK 100 100 100 100 5.1-5.2 9778=100, 6914/1.7=99...(11) H GLN 86 - HE21 GLN 81 far 0 27 0 - 6.0-9.3 H ARG 44 - HE21 GLN 81 far 0 48 0 - 8.8-13.2 HD21 ASN 78 - HE21 GLN 81 far 0 31 0 - 9.5-12.3 HE21 GLN 19 - HE21 GLN 81 far 0 24 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 6909 from nnoeabs.peaks (4.51, 7.05, 114.06 ppm; 4.95 A increased from 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HA ASN 68 + HD21 ASN 68 OK 100 100 100 100 4.9-4.9 4.4=100 HA ASP 65 + HD21 ASN 68 OK 52 61 100 85 4.7-4.8 10463/1.7=40...(7) HA GLN 19 - HE21 GLN 81 far 0 45 0 - 6.9-10.5 HA GLN 89 - HE21 GLN 81 far 0 48 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 6910 from nnoeabs.peaks (3.00, 7.05, 114.06 ppm; 3.62 A increased from 3.05 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 68 + HD21 ASN 68 OK 100 100 100 100 3.5-3.5 3.5=100 * HB2 ASN 68 + HD21 ASN 68 OK 100 100 100 100 4.0-4.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 6911 from nnoeabs.peaks (3.00, 7.05, 114.06 ppm; 3.62 A increased from 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 68 + HD21 ASN 68 OK 100 100 100 100 3.5-3.5 3.5=100 HB2 ASN 68 + HD21 ASN 68 OK 100 100 100 100 4.0-4.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 6912 from nnoeabs.peaks (7.99, 7.05, 114.06 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 68 + HD21 ASN 68 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 85 - HE21 GLN 81 far 0 41 0 - 3.1-6.8 Violated in 0 structures by 0.00 A. Peak 6913 from nnoeabs.peaks (7.99, 7.99, 114.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 68 + HD22 ASN 68 OK 100 100 - 100 Peak 6914 from nnoeabs.peaks (7.59, 7.99, 114.06 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 68 + HD22 ASN 68 OK 100 100 100 100 3.6-3.8 6904=86, 3.8/6917=69...(10) Violated in 0 structures by 0.00 A. Peak 6915 from nnoeabs.peaks (4.51, 7.99, 114.06 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 68 + HD22 ASN 68 OK 100 100 100 100 4.3-4.3 3.0/6916=79, 2145=75...(9) HA ASP 65 + HD22 ASN 68 OK 51 61 100 83 3.2-3.3 10463=33, 4.6/9775=29...(8) Violated in 0 structures by 0.00 A. Peak 6916 from nnoeabs.peaks (3.00, 7.99, 114.06 ppm; 2.81 A): 1 out of 2 assignments used, quality = 0.89: HB3 ASN 68 + HD22 ASN 68 OK 89 100 100 89 2.2-2.2 3.5=52, 1.8/2164=27...(9) ! HB2 ASN 68 - HD22 ASN 68 far 0 100 0 - 3.4-3.4 Violated in 0 structures by 0.00 A. Peak 6917 from nnoeabs.peaks (3.00, 7.99, 114.06 ppm; 2.81 A): 1 out of 2 assignments used, quality = 0.89: * HB3 ASN 68 + HD22 ASN 68 OK 89 100 100 89 2.2-2.2 3.5=52, 1.8/2164=27...(9) HB2 ASN 68 - HD22 ASN 68 far 0 100 0 - 3.4-3.4 Violated in 0 structures by 0.00 A. Peak 6918 from nnoeabs.peaks (7.05, 7.99, 114.06 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 68 + HD22 ASN 68 OK 100 100 100 100 1.7-1.7 1.7=100 HE22 GLN 72 - HD22 ASN 68 far 0 100 0 - 4.9-5.2 QD PHE 10 - HD22 ASN 68 far 0 98 0 - 5.2-5.6 Violated in 0 structures by 0.00 A. Peak 6919 from nnoeabs.peaks (7.68, 7.68, 117.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 69 + H VAL 69 OK 100 100 - 100 Peak 6920 from nnoeabs.peaks (4.55, 7.68, 117.25 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.97: * HA ASP 65 + H VAL 69 OK 93 100 100 93 4.2-4.3 10464=38, 2010/6926=36...(8) HA ASN 68 + H VAL 69 OK 61 61 100 100 3.6-3.6 3.6=100 HA ILE 11 - H VAL 69 far 0 88 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 6921 from nnoeabs.peaks (3.46, 7.68, 117.25 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 66 + H VAL 69 OK 100 100 100 100 3.8-4.0 2030=81, 8454/2188=78...(8) Violated in 0 structures by 0.00 A. Peak 6922 from nnoeabs.peaks (8.54, 7.68, 117.25 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 67 + H VAL 69 OK 100 100 100 100 4.3-4.4 6887=90, 6893/6905=89...(10) H ILE 28 - H VAL 69 far 0 91 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 6924 from nnoeabs.peaks (7.59, 7.68, 117.25 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.90: * H ASN 68 + H VAL 69 OK 90 100 100 90 2.9-2.9 3.8/6927=39...(9) Violated in 0 structures by 0.00 A. Peak 6925 from nnoeabs.peaks (4.51, 7.68, 117.25 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 68 + H VAL 69 OK 100 100 100 100 3.6-3.6 3.6=100 HA ASP 65 + H VAL 69 OK 42 61 95 73 4.2-4.3 9801/2188=23...(8) Violated in 0 structures by 0.00 A. Peak 6926 from nnoeabs.peaks (3.00, 7.68, 117.25 ppm; 2.98 A): 1 out of 2 assignments used, quality = 0.99: HB3 ASN 68 + H VAL 69 OK 99 100 100 99 2.7-2.8 2157=93, 9804/2188=36...(13) ! HB2 ASN 68 - H VAL 69 far 0 100 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 6927 from nnoeabs.peaks (3.00, 7.68, 117.25 ppm; 2.98 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASN 68 + H VAL 69 OK 99 100 100 99 2.7-2.8 2157=93, 9804/2188=36...(13) HB2 ASN 68 - H VAL 69 far 0 100 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 6928 from nnoeabs.peaks (7.05, 7.68, 117.25 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HD21 ASN 68 + H VAL 69 OK 100 100 100 100 3.2-3.3 3.5/6926=83...(12) HE22 GLN 72 + H VAL 69 OK 98 100 100 98 4.8-5.0 9876/3.0=76...(5) QD PHE 10 - H VAL 69 far 0 98 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 6930 from nnoeabs.peaks (3.86, 7.68, 117.25 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 69 + H VAL 69 OK 100 100 100 100 2.8-2.8 3.0=100 HA ILE 61 - H VAL 69 far 0 65 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 6931 from nnoeabs.peaks (1.97, 7.68, 117.25 ppm; 3.69 A increased from 3.10 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 69 + H VAL 69 OK 100 100 100 100 3.6-3.6 2176=100, 2.1/2188=88...(10) HB3 LEU 70 - H VAL 69 far 0 88 0 - 4.8-4.9 HB2 GLN 72 - H VAL 69 far 0 92 0 - 7.1-7.3 HB3 GLU 101 - H VAL 69 far 0 85 0 - 7.3-7.4 HB3 GLU 63 - H VAL 69 far 0 79 0 - 9.3-9.3 Violated in 0 structures by 0.00 A. Peak 6932 from nnoeabs.peaks (0.78, 7.68, 117.25 ppm; 3.38 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 69 + H VAL 69 OK 100 100 100 100 2.1-2.2 2182=100, 2.1/2188=80...(20) QD1 ILE 67 - H VAL 69 far 0 90 0 - 5.5-5.7 QD2 LEU 36 - H VAL 69 far 0 99 0 - 7.1-7.3 HB3 LEU 55 - H VAL 69 far 0 99 0 - 7.7-7.8 QD1 ILE 11 - H VAL 69 far 0 98 0 - 7.8-8.8 HG2 LYS 52 - H VAL 69 far 0 97 0 - 8.4-11.1 QD1 ILE 23 - H VAL 69 far 0 85 0 - 8.5-8.8 QG2 ILE 23 - H VAL 69 far 0 87 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 6933 from nnoeabs.peaks (0.89, 7.68, 117.25 ppm; 2.88 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 69 + H VAL 69 OK 100 100 100 100 2.0-2.0 2188=100, 2.1/2182=51...(13) QG2 ILE 67 - H VAL 69 far 0 99 0 - 5.1-5.2 QD1 LEU 51 - H VAL 69 far 0 68 0 - 6.0-6.2 QG2 VAL 103 - H VAL 69 far 0 100 0 - 8.7-9.9 QG1 VAL 103 - H VAL 69 far 0 91 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 6934 from nnoeabs.peaks (8.17, 7.68, 117.25 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + H VAL 69 OK 100 100 100 100 2.7-2.8 6941=100, 6944/2182=44...(10) H PHE 10 - H VAL 69 far 0 100 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 6935 from nnoeabs.peaks (8.94, 7.68, 117.25 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 71 + H VAL 69 OK 100 100 100 100 4.0-4.1 6957=100, 6959/6941=80...(6) H ILE 11 - H VAL 69 far 0 81 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 6936 from nnoeabs.peaks (8.17, 8.17, 121.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LEU 70 OK 100 100 - 100 Peak 6938 from nnoeabs.peaks (3.56, 8.17, 121.05 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 67 + H LEU 70 OK 100 100 100 100 3.6-3.7 2096=83, 2098/6948=56...(9) HA TRP 48 - H LEU 70 far 0 94 0 - 7.5-7.8 HA THR 74 - H LEU 70 far 0 94 0 - 8.5-8.6 Violated in 4 structures by 0.00 A. Peak 6939 from nnoeabs.peaks (7.59, 8.17, 121.05 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 68 + H LEU 70 OK 100 100 100 100 4.1-4.2 6905/6941=81, 6906=80...(8) Violated in 0 structures by 0.00 A. Peak 6940 from nnoeabs.peaks (4.51, 8.17, 121.05 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 68 + H LEU 70 OK 100 100 100 100 4.3-4.5 3.6/6941=99...(9) HA ASP 65 - H LEU 70 poor 12 61 20 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 6941 from nnoeabs.peaks (7.68, 8.17, 121.05 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 69 + H LEU 70 OK 99 100 100 99 2.7-2.8 6934=91, 2182/6944=41...(10) H LEU 51 - H LEU 70 far 0 98 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 6942 from nnoeabs.peaks (3.86, 8.17, 121.05 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 69 + H LEU 70 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6943 from nnoeabs.peaks (1.97, 8.17, 121.05 ppm; 3.12 A): 2 out of 5 assignments used, quality = 0.92: HB3 LEU 70 + H LEU 70 OK 87 88 100 99 2.3-2.4 1.8/6947=50, 2.9/6949=49...(14) * HB VAL 69 + H LEU 70 OK 39 100 40 97 3.7-3.8 2.1/6944=56, 2181=49...(11) HB2 GLN 72 - H LEU 70 far 0 92 0 - 7.0-7.2 HB3 GLU 101 - H LEU 70 far 0 85 0 - 8.0-8.2 HB3 GLU 63 - H LEU 70 far 0 79 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 6944 from nnoeabs.peaks (0.78, 8.17, 121.05 ppm; 3.40 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 69 + H LEU 70 OK 100 100 100 100 2.0-2.1 2187=93, 11285/6949=59...(19) QD1 ILE 67 - H LEU 70 far 0 90 0 - 4.7-4.8 HG2 LYS 52 - H LEU 70 far 0 97 0 - 6.1-8.9 QD1 ILE 23 - H LEU 70 far 0 85 0 - 6.8-7.1 HB3 LEU 55 - H LEU 70 far 0 99 0 - 7.6-7.9 QD2 LEU 36 - H LEU 70 far 0 99 0 - 7.7-8.0 QG2 ILE 23 - H LEU 70 far 0 87 0 - 8.6-8.7 QD1 ILE 11 - H LEU 70 far 0 98 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 6945 from nnoeabs.peaks (0.89, 8.17, 121.05 ppm; 3.88 A increased from 3.27 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 69 + H LEU 70 OK 100 100 100 100 3.8-3.9 2.1/6944=81, 4.2=77...(11) QG2 ILE 67 - H LEU 70 far 0 99 0 - 4.5-4.8 QD1 LEU 51 - H LEU 70 far 0 68 0 - 5.1-5.3 QG2 VAL 103 - H LEU 70 far 0 100 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 6946 from nnoeabs.peaks (3.95, 8.17, 121.05 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6947 from nnoeabs.peaks (1.61, 8.17, 121.05 ppm; 3.78 A increased from 3.36 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 100 100 3.6-3.6 1.8/6948=93, 4.0=84...(12) HB2 ARG 66 - H LEU 70 far 0 95 0 - 5.2-5.6 HG13 ILE 67 - H LEU 70 far 0 99 0 - 6.4-6.6 HB2 LEU 55 - H LEU 70 far 0 100 0 - 7.1-7.4 QB ALA 62 - H LEU 70 far 0 77 0 - 8.8-8.9 HB ILE 11 - H LEU 70 far 0 85 0 - 9.8-9.9 Violated in 0 structures by 0.00 A. Peak 6948 from nnoeabs.peaks (1.95, 8.17, 121.05 ppm; 2.94 A): 1 out of 4 assignments used, quality = 0.98: * HB3 LEU 70 + H LEU 70 OK 98 100 100 98 2.3-2.4 1.8/6947=44, 2.9/6949=44...(14) HB VAL 69 - H LEU 70 far 0 88 0 - 3.7-3.8 HB3 GLU 101 - H LEU 70 far 0 100 0 - 8.0-8.2 HB3 GLU 63 - H LEU 70 far 0 100 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 6949 from nnoeabs.peaks (1.43, 8.17, 121.05 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 70 + H LEU 70 OK 100 100 100 100 2.5-2.6 2.9/6948=53, 2.1/6951=52...(15) HB3 LYS 52 - H LEU 70 far 0 73 0 - 5.9-8.8 QB ALA 47 - H LEU 70 far 0 100 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 6950 from nnoeabs.peaks (-0.14, 8.17, 121.05 ppm; 3.94 A increased from 3.50 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + H LEU 70 OK 100 100 100 100 3.8-3.9 2230=100, 2.1/6949=87...(15) Violated in 0 structures by 0.00 A. Peak 6951 from nnoeabs.peaks (0.42, 8.17, 121.05 ppm; 3.58 A increased from 3.18 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 3.3-3.5 2.1/6949=77, 2238=76...(16) QD1 LEU 55 - H LEU 70 far 0 99 0 - 4.2-4.4 Violated in 0 structures by 0.00 A. Peak 6952 from nnoeabs.peaks (8.94, 8.17, 121.05 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 71 + H LEU 70 OK 100 100 100 100 2.5-2.5 6959=100, 6962/6948=46...(17) H ILE 11 - H LEU 70 far 0 81 0 - 8.1-8.3 H ALA 24 - H LEU 70 far 0 92 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 6953 from nnoeabs.peaks (7.77, 8.17, 121.05 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 72 + H LEU 70 OK 100 100 100 100 4.1-4.2 6988=84, 6990/6959=75...(9) HD22 ASN 71 - H LEU 70 far 0 90 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. Peak 6954 from nnoeabs.peaks (8.94, 8.94, 120.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 71 + H ASN 71 OK 100 100 - 100 Peak 6955 from nnoeabs.peaks (3.56, 8.94, 120.78 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 67 + H ASN 71 OK 100 100 100 100 3.9-4.2 9741=99, 6938/6959=73...(8) HA THR 74 - H ASN 71 far 0 94 0 - 7.4-7.5 HA TRP 48 - H ASN 71 far 0 94 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 6956 from nnoeabs.peaks (4.51, 8.94, 120.78 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 68 + H ASN 71 OK 100 100 100 100 3.3-3.4 2147=95, 2149/6968=67...(10) HA ASP 65 - H ASN 71 far 0 61 0 - 8.0-8.1 Violated in 0 structures by 0.00 A. Peak 6957 from nnoeabs.peaks (7.68, 8.94, 120.78 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 69 + H ASN 71 OK 100 100 100 100 4.0-4.1 6935=88, 6941/6959=76...(6) Violated in 0 structures by 0.00 A. Peak 6959 from nnoeabs.peaks (8.17, 8.94, 120.78 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H ASN 71 OK 100 100 100 100 2.5-2.5 6952=100, 6948/6962=46...(17) Violated in 0 structures by 0.00 A. Peak 6960 from nnoeabs.peaks (3.95, 8.94, 120.78 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + H ASN 71 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6961 from nnoeabs.peaks (1.61, 8.94, 120.78 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 70 + H ASN 71 OK 100 100 100 100 3.7-3.8 1.8/6962=85, 4.6=67...(7) HG13 ILE 67 - H ASN 71 far 0 99 0 - 7.1-7.1 HB2 ARG 66 - H ASN 71 far 0 95 0 - 7.4-7.8 HB2 LEU 55 - H ASN 71 far 0 100 0 - 9.5-9.8 HG13 ILE 77 - H ASN 71 far 0 71 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6962 from nnoeabs.peaks (1.95, 8.94, 120.78 ppm; 3.67 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 70 + H ASN 71 OK 99 100 100 99 2.8-2.9 6948/6959=63...(10) HB VAL 69 - H ASN 71 far 0 88 0 - 5.5-5.6 HB3 GLU 101 - H ASN 71 far 0 100 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 6963 from nnoeabs.peaks (1.43, 8.94, 120.78 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 70 + H ASN 71 OK 100 100 100 100 4.5-4.6 2229=93, 6949/6959=86...(9) HB3 LYS 52 - H ASN 71 far 0 73 0 - 7.3-10.3 HB ILE 77 - H ASN 71 far 0 70 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 6964 from nnoeabs.peaks (-0.14, 8.94, 120.78 ppm; 5.02 A increased from 4.72 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + H ASN 71 OK 100 100 100 100 4.8-4.9 4.9=100 Violated in 0 structures by 0.00 A. Peak 6965 from nnoeabs.peaks (0.42, 8.94, 120.78 ppm; 4.81 A increased from 4.27 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + H ASN 71 OK 100 100 100 100 4.5-4.6 4.9=96, 3.1/6962=84...(12) QD1 LEU 55 - H ASN 71 far 0 99 0 - 6.3-6.5 Violated in 0 structures by 0.00 A. Peak 6966 from nnoeabs.peaks (4.59, 8.94, 120.78 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 71 + H ASN 71 OK 100 100 100 100 2.8-2.8 2.9=100 HA ILE 11 - H ASN 71 far 0 85 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 6967 from nnoeabs.peaks (2.94, 8.94, 120.78 ppm; 3.65 A increased from 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 71 + H ASN 71 OK 100 100 100 100 2.1-3.5 2256=99, 1.8/6968=86...(9) HE2 LYS 52 - H ASN 71 far 0 100 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 6968 from nnoeabs.peaks (3.11, 8.94, 120.78 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASN 71 + H ASN 71 OK 98 100 100 98 2.1-3.5 2264=72, 1.8/6967=54...(10) HB3 PHE 99 - H ASN 71 far 0 100 0 - 9.8-11.0 Violated in 2 structures by 0.03 A. Peak 6971 from nnoeabs.peaks (7.77, 8.94, 120.78 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 72 + H ASN 71 OK 100 100 100 100 2.6-2.6 6990=92, 6993/6968=42...(11) HD22 ASN 71 + H ASN 71 OK 82 90 100 92 3.6-3.7 3.5/6968=42, 3.5/6967=36...(8) Violated in 0 structures by 0.00 A. Peak 6972 from nnoeabs.peaks (8.38, 8.94, 120.78 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 73 + H ASN 71 OK 100 100 100 100 3.9-4.0 7024=99, 7003/6990=78...(12) H ILE 77 - H ASN 71 far 0 70 0 - 9.6-9.7 Violated in 0 structures by 0.00 A. Peak 6973 from nnoeabs.peaks (6.80, 6.80, 111.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 71 + HD21 ASN 71 OK 100 100 - 100 Peak 6974 from nnoeabs.peaks (8.94, 6.80, 111.21 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 71 + HD21 ASN 71 OK 100 100 100 100 4.5-4.6 6968/3.5=95, 6967/3.5=89...(9) Violated in 0 structures by 0.00 A. Peak 6975 from nnoeabs.peaks (4.59, 6.80, 111.21 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 71 + HD21 ASN 71 OK 100 100 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 6976 from nnoeabs.peaks (2.94, 6.80, 111.21 ppm; 3.85 A increased from 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 71 + HD21 ASN 71 OK 100 100 100 100 3.4-3.9 3.5=100 HE2 LYS 52 - HD21 ASN 71 far 0 100 0 - 9.3-10.9 Violated in 2 structures by 0.00 A. Peak 6977 from nnoeabs.peaks (3.11, 6.80, 111.21 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 71 + HD21 ASN 71 OK 100 100 100 100 3.4-3.9 3.5=100 Violated in 2 structures by 0.02 A. Peak 6978 from nnoeabs.peaks (7.79, 6.80, 111.21 ppm; 2.44 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 71 + HD21 ASN 71 OK 100 100 100 100 1.7-1.7 1.7=100 H GLN 72 - HD21 ASN 71 far 0 90 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 6979 from nnoeabs.peaks (7.79, 7.79, 111.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 71 + HD22 ASN 71 OK 100 100 - 100 Peak 6980 from nnoeabs.peaks (8.94, 7.79, 111.21 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 71 + HD22 ASN 71 OK 100 100 100 100 3.6-3.7 6968/3.5=91, 6967/3.5=84...(8) Violated in 0 structures by 0.00 A. Peak 6981 from nnoeabs.peaks (4.59, 7.79, 111.21 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 71 + HD22 ASN 71 OK 100 100 100 100 4.2-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 6982 from nnoeabs.peaks (2.94, 7.79, 111.21 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 71 + HD22 ASN 71 OK 100 100 100 100 2.1-3.1 3.5=100 HE2 LYS 52 - HD22 ASN 71 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 6983 from nnoeabs.peaks (3.11, 7.79, 111.21 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 71 + HD22 ASN 71 OK 100 100 100 100 2.2-3.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 6984 from nnoeabs.peaks (6.80, 7.79, 111.21 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 71 + HD22 ASN 71 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6985 from nnoeabs.peaks (7.77, 7.77, 120.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 72 + H GLN 72 OK 100 100 - 100 Peak 6986 from nnoeabs.peaks (4.51, 7.77, 120.55 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 68 + H GLN 72 OK 100 100 100 100 4.2-4.3 2149/6993=82...(6) HA ASP 65 - H GLN 72 far 0 61 0 - 9.0-9.1 Violated in 0 structures by 0.00 A. Peak 6987 from nnoeabs.peaks (3.86, 7.77, 120.55 ppm; 3.73 A increased from 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 69 + H GLN 72 OK 100 100 100 100 3.6-3.7 2172=86, 2174/2303=50...(12) Violated in 0 structures by 0.00 A. Peak 6988 from nnoeabs.peaks (8.17, 7.77, 120.55 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H GLN 72 OK 100 100 100 100 4.1-4.2 6953=100, 6959/6990=81...(9) Violated in 0 structures by 0.00 A. Peak 6989 from nnoeabs.peaks (3.95, 7.77, 120.55 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + H GLN 72 OK 100 100 100 100 4.2-4.3 7023/7003=84...(6) Violated in 0 structures by 0.00 A. Peak 6990 from nnoeabs.peaks (8.94, 7.77, 120.55 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.98: * H ASN 71 + H GLN 72 OK 98 100 100 98 2.6-2.6 6971=55, 6968/6993=45...(11) H ALA 24 - H GLN 72 far 0 92 0 - 9.3-10.0 H ILE 11 - H GLN 72 far 0 81 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 6991 from nnoeabs.peaks (4.59, 7.77, 120.55 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 71 + H GLN 72 OK 100 100 100 100 3.5-3.5 3.6=100 HA ILE 11 - H GLN 72 far 0 85 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 6992 from nnoeabs.peaks (2.94, 7.77, 120.55 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.95: * HB2 ASN 71 + H GLN 72 OK 95 100 100 95 2.9-3.4 1.8/6993=73, 2262=53...(4) Violated in 0 structures by 0.00 A. Peak 6993 from nnoeabs.peaks (3.11, 7.77, 120.55 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASN 71 + H GLN 72 OK 98 100 100 98 2.9-3.3 1.8/6992=71...(6) HB3 PHE 99 - H GLN 72 far 0 100 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 6996 from nnoeabs.peaks (4.18, 7.77, 120.55 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + H GLN 72 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6997 from nnoeabs.peaks (1.99, 7.77, 120.55 ppm; 3.68 A increased from 3.27 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 72 + H GLN 72 OK 100 100 100 100 3.6-3.6 2284=100, 1.8/2294=77...(16) HB VAL 69 - H GLN 72 far 0 92 0 - 5.4-5.5 HG2 PRO 100 - H GLN 72 far 0 77 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 6998 from nnoeabs.peaks (2.28, 7.77, 120.55 ppm; 3.02 A increased from 2.84 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 72 + H GLN 72 OK 99 100 100 99 2.8-2.9 2294=62, 1.8/2284=51...(14) HG2 GLN 72 + H GLN 72 OK 95 96 100 100 3.1-3.3 1.8/7000=66, 2303=65...(18) HB2 GLU 75 - H GLN 72 far 0 99 0 - 5.7-6.2 HG3 GLU 101 - H GLN 72 far 0 100 0 - 6.3-6.5 HB3 GLU 75 - H GLN 72 far 0 100 0 - 7.2-7.4 HG2 GLU 101 - H GLN 72 far 0 100 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 6999 from nnoeabs.peaks (2.29, 7.77, 120.55 ppm; 3.02 A increased from 2.84 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 72 + H GLN 72 OK 100 100 100 100 3.1-3.3 2303=68, 1.8/7000=66...(18) HB3 GLN 72 + H GLN 72 OK 95 96 100 99 2.8-2.9 2294=60, 1.8/2284=51...(14) HB2 GLU 75 - H GLN 72 far 0 87 0 - 5.7-6.2 HG3 GLU 101 - H GLN 72 far 0 99 0 - 6.3-6.5 HB3 GLU 75 - H GLN 72 far 0 88 0 - 7.2-7.4 HG2 GLU 101 - H GLN 72 far 0 98 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 7000 from nnoeabs.peaks (2.63, 7.77, 120.55 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + H GLN 72 OK 100 100 100 100 1.6-1.7 2312=77, 1.8/2303=59...(17) HB3 PHE 10 - H GLN 72 far 0 84 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 7002 from nnoeabs.peaks (7.06, 7.77, 120.55 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 72 + H GLN 72 OK 100 100 100 100 2.8-3.3 7019/7000=79, 7014=75...(8) HD21 ASN 68 - H GLN 72 far 0 100 0 - 5.9-6.0 QE PHE 99 - H GLN 72 far 0 98 0 - 7.5-8.4 HH2 TRP 48 - H GLN 72 far 0 96 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 7003 from nnoeabs.peaks (8.38, 7.77, 120.55 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 73 + H GLN 72 OK 100 100 100 100 2.4-2.4 7026=90, 7030/2303=38...(16) H ILE 77 - H GLN 72 far 0 70 0 - 8.0-8.2 H VAL 103 - H GLN 72 far 0 100 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 7004 from nnoeabs.peaks (8.47, 7.77, 120.55 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.99: * H THR 74 + H GLN 72 OK 99 100 100 99 4.1-4.2 7036/7003=83...(7) H ASN 78 - H GLN 72 far 0 91 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 7005 from nnoeabs.peaks (6.96, 6.96, 110.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HE21 GLN 72 OK 100 100 - 100 Peak 7008 from nnoeabs.peaks (1.99, 6.96, 110.41 ppm; 4.45 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 72 + HE21 GLN 72 OK 100 100 100 100 4.3-4.4 4.5=94, 7016/1.7=87...(13) HB VAL 69 - HE21 GLN 72 far 0 92 0 - 5.6-5.8 HG2 PRO 100 - HE21 GLN 72 far 0 77 0 - 6.9-7.4 HB3 PRO 100 - HE21 GLN 72 far 0 100 0 - 7.5-8.1 HG3 PRO 100 - HE21 GLN 72 far 0 77 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 7009 from nnoeabs.peaks (2.28, 6.96, 110.41 ppm; 3.56 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 72 + HE21 GLN 72 OK 100 100 100 100 3.2-3.3 1.8/7008=49, 4.5=48...(17) HG2 GLN 72 + HE21 GLN 72 OK 96 96 100 100 4.1-4.1 3.5=100 HG2 GLU 101 - HE21 GLN 72 far 0 100 0 - 4.6-5.1 HG3 GLU 101 - HE21 GLN 72 far 0 100 0 - 4.8-5.1 HB2 GLU 75 - HE21 GLN 72 far 0 99 0 - 8.4-8.7 HB3 GLU 75 - HE21 GLN 72 far 0 100 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 7010 from nnoeabs.peaks (2.29, 6.96, 110.41 ppm; 3.56 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 72 + HE21 GLN 72 OK 100 100 100 100 4.1-4.1 3.5=100 HB3 GLN 72 + HE21 GLN 72 OK 95 96 100 100 3.2-3.3 1.8/7008=49, 4.5=48...(17) HG2 GLU 101 - HE21 GLN 72 far 0 98 0 - 4.6-5.1 HG3 GLU 101 - HE21 GLN 72 far 0 99 0 - 4.8-5.1 HB2 GLU 75 - HE21 GLN 72 far 0 87 0 - 8.4-8.7 HB2 ASP 26 - HE21 GLN 72 far 0 82 0 - 9.3-10.0 HB3 GLU 75 - HE21 GLN 72 far 0 88 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 7011 from nnoeabs.peaks (2.63, 6.96, 110.41 ppm; 3.83 A increased from 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + HE21 GLN 72 OK 100 100 100 100 3.7-3.7 3.5=100 HB3 PHE 10 - HE21 GLN 72 far 0 84 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 7012 from nnoeabs.peaks (7.06, 6.96, 110.41 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * HE22 GLN 72 + HE21 GLN 72 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 68 + HE21 GLN 72 OK 57 100 100 57 2.8-3.0 9784=25, 1.7/11263=22...(6) QD PHE 10 - HE21 GLN 72 far 0 94 0 - 8.4-8.6 QE PHE 99 - HE21 GLN 72 far 0 98 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 7013 from nnoeabs.peaks (7.06, 7.06, 110.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 72 + HE22 GLN 72 OK 100 100 - 100 Peak 7014 from nnoeabs.peaks (7.77, 7.06, 110.41 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + HE22 GLN 72 OK 100 100 100 100 2.8-3.3 7002=100, 7000/7019=88...(8) HD22 ASN 71 - HE22 GLN 72 far 0 90 0 - 5.6-6.2 H VAL 102 - HE22 GLN 72 far 0 100 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 7015 from nnoeabs.peaks (4.18, 7.06, 110.41 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + HE22 GLN 72 OK 100 100 100 100 3.8-4.0 2278=100, 2313/7019=84...(13) Violated in 0 structures by 0.00 A. Peak 7016 from nnoeabs.peaks (1.99, 7.06, 110.41 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 72 + HE22 GLN 72 OK 100 100 100 100 3.3-3.4 3.0/7019=74, 4.5=70...(11) HB VAL 69 - HE22 GLN 72 far 0 92 0 - 5.9-6.0 HG2 PRO 100 - HE22 GLN 72 far 0 77 0 - 6.9-7.3 HB3 PRO 100 - HE22 GLN 72 far 0 100 0 - 8.0-8.4 HG3 PRO 100 - HE22 GLN 72 far 0 77 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 7017 from nnoeabs.peaks (2.28, 7.06, 110.41 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 72 + HE22 GLN 72 OK 98 100 100 98 1.9-1.9 3.0/7019=51, 1.8/7016=48...(11) HG2 GLN 72 + HE22 GLN 72 OK 95 96 100 99 3.5-3.5 3.5=77, 1.8/7019=70...(13) HG3 GLU 101 - HE22 GLN 72 far 0 100 0 - 4.3-4.6 HG2 GLU 101 - HE22 GLN 72 far 0 100 0 - 4.7-5.1 HB2 GLU 75 - HE22 GLN 72 far 0 99 0 - 6.8-7.3 HB3 GLU 75 - HE22 GLN 72 far 0 100 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 7018 from nnoeabs.peaks (2.29, 7.06, 110.41 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 72 + HE22 GLN 72 OK 99 100 100 99 3.5-3.5 3.5=77, 1.8/7019=70...(13) HB3 GLN 72 + HE22 GLN 72 OK 93 96 100 98 1.9-1.9 3.0/7019=51, 1.8/7016=48...(11) HG3 GLU 101 - HE22 GLN 72 far 0 99 0 - 4.3-4.6 HG2 GLU 101 - HE22 GLN 72 far 0 98 0 - 4.7-5.1 HB2 GLU 75 - HE22 GLN 72 far 0 87 0 - 6.8-7.3 HB3 GLU 75 - HE22 GLN 72 far 0 88 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 7019 from nnoeabs.peaks (2.63, 7.06, 110.41 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLN 72 + HE22 GLN 72 OK 99 100 100 99 2.7-2.7 2319=86, 3.0/7016=38...(13) HB3 PHE 10 - HE22 GLN 72 far 0 84 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 7020 from nnoeabs.peaks (6.96, 7.06, 110.41 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HE22 GLN 72 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7021 from nnoeabs.peaks (8.38, 8.38, 120.97 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 73 + H ALA 73 OK 100 100 - 100 H GLU 110 + H GLU 110 OK 51 51 - 100 Peak 7022 from nnoeabs.peaks (3.86, 8.38, 120.97 ppm; 4.45 A increased from 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 69 + H ALA 73 OK 100 100 100 100 4.3-4.4 9789=99, 6987/7003=75...(11) HB2 SER 107 - H GLU 110 far 0 47 0 - 5.9-11.0 HB3 SER 107 - H GLU 110 far 0 62 0 - 6.2-10.8 HA3 GLY 32 - H GLU 110 far 0 47 0 - 10.0-26.7 Violated in 0 structures by 0.00 A. Peak 7023 from nnoeabs.peaks (3.95, 8.38, 120.97 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.99: * HA LEU 70 + H ALA 73 OK 99 100 100 99 3.3-3.3 2327/2328=66, 2202=65...(12) HB THR 33 - H GLU 110 far 0 68 0 - 6.8-21.4 Violated in 0 structures by 0.00 A. Peak 7024 from nnoeabs.peaks (8.94, 8.38, 120.97 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 71 + H ALA 73 OK 100 100 100 100 3.9-4.0 6972=100, 6990/7003=78...(12) H ALA 24 - H ALA 73 far 0 92 0 - 7.3-8.1 H ILE 11 - H ALA 73 far 0 81 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 7025 from nnoeabs.peaks (4.59, 8.38, 120.97 ppm; 5.25 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 71 + H ALA 73 OK 100 100 100 100 4.3-4.4 3.6/7003=93, 10490=90...(10) HA ILE 11 - H ALA 73 far 0 85 0 - 8.2-8.4 HA PHE 41 - H GLU 110 far 0 58 0 - 8.4-20.8 Violated in 0 structures by 0.00 A. Peak 7026 from nnoeabs.peaks (7.77, 8.38, 120.97 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + H ALA 73 OK 100 100 100 100 2.4-2.4 7003=100, 2303/7030=41...(16) HD22 ASN 71 - H ALA 73 far 0 90 0 - 7.1-7.2 H VAL 102 - H ALA 73 far 0 100 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 7027 from nnoeabs.peaks (4.18, 8.38, 120.97 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + H ALA 73 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7028 from nnoeabs.peaks (1.99, 8.38, 120.97 ppm; 3.80 A increased from 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 72 + H ALA 73 OK 100 100 100 100 3.7-3.7 2292=99, 3.0/7030=68...(15) HB VAL 69 - H ALA 73 far 0 92 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 7029 from nnoeabs.peaks (2.28, 8.38, 120.97 ppm; 3.23 A): 1 out of 6 assignments used, quality = 0.95: HG2 GLN 72 + H ALA 73 OK 95 96 100 99 2.7-3.0 2311=48, 1.8/7031=45...(16) ! HB3 GLN 72 - H ALA 73 far 0 100 0 - 4.1-4.1 HB2 GLU 75 - H ALA 73 far 0 99 0 - 5.3-5.6 HB3 GLU 75 - H ALA 73 far 0 100 0 - 7.0-7.1 HG3 GLU 101 - H ALA 73 far 0 100 0 - 7.4-7.7 HG2 GLU 101 - H ALA 73 far 0 100 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 7030 from nnoeabs.peaks (2.29, 8.38, 120.97 ppm; 3.23 A): 1 out of 8 assignments used, quality = 0.99: * HG2 GLN 72 + H ALA 73 OK 99 100 100 99 2.7-3.0 2311=51, 2303/7003=47...(16) HB3 GLN 72 - H ALA 73 far 0 96 0 - 4.1-4.1 HB2 GLU 75 - H ALA 73 far 0 87 0 - 5.3-5.6 HB3 GLU 75 - H ALA 73 far 0 88 0 - 7.0-7.1 HG3 GLU 101 - H ALA 73 far 0 99 0 - 7.4-7.7 HB3 ASP 26 - H GLU 110 far 0 42 0 - 8.2-20.5 HG2 GLU 101 - H ALA 73 far 0 98 0 - 8.6-8.9 HB2 ASP 26 - H GLU 110 far 0 49 0 - 9.2-20.2 Violated in 0 structures by 0.00 A. Peak 7031 from nnoeabs.peaks (2.63, 8.38, 120.97 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 72 + H ALA 73 OK 100 100 100 100 2.3-2.6 2320=98, 1.8/7029=95...(16) HE2 LYS 13 - H GLU 110 far 0 34 0 - 6.9-15.1 HB3 PHE 10 - H ALA 73 far 0 84 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 7034 from nnoeabs.peaks (3.81, 8.38, 120.97 ppm; 3.22 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 73 + H ALA 73 OK 100 100 100 100 2.8-2.8 3.0=100 HB3 SER 107 - H GLU 110 far 0 36 0 - 6.2-10.8 HB3 SER 105 - H GLU 110 far 0 68 0 - 6.4-12.1 HB2 SER 105 - H GLU 110 far 0 68 0 - 6.9-12.9 HB3 TRP 16 - H GLU 110 far 0 41 0 - 9.9-17.5 HA3 GLY 32 - H GLU 110 far 0 53 0 - 10.0-26.7 Violated in 0 structures by 0.00 A. Peak 7035 from nnoeabs.peaks (1.52, 8.38, 120.97 ppm; 2.68 A): 2 out of 4 assignments used, quality = 0.99: * QB ALA 73 + H ALA 73 OK 99 100 100 99 2.0-2.1 2328=82, 7045/7036=31...(19) HB3 LEU 109 + H GLU 110 OK 30 45 95 71 2.0-4.3 2999/3.6=31...(7) HG LEU 109 - H GLU 110 far 0 65 0 - 4.0-5.6 HG LEU 12 - H ALA 73 far 0 100 0 - 5.4-5.5 Violated in 0 structures by 0.00 A. Peak 7036 from nnoeabs.peaks (8.47, 8.38, 120.97 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.99: * H THR 74 + H ALA 73 OK 99 100 100 99 2.6-2.7 7043=87, 7045/2328=48...(13) H ALA 22 - H GLU 110 far 0 60 0 - 7.4-19.1 H ASN 78 - H ALA 73 far 0 91 0 - 7.8-7.9 Violated in 0 structures by 0.00 A. Peak 7037 from nnoeabs.peaks (7.53, 8.38, 120.97 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 75 + H ALA 73 OK 100 100 100 100 4.0-4.1 7049/7036=86...(7) HD21 ASN 78 - H ALA 73 far 0 75 0 - 8.3-8.5 H GLN 49 - H ALA 73 far 0 63 0 - 9.9-10.0 Violated in 0 structures by 0.00 A. Peak 7038 from nnoeabs.peaks (8.47, 8.47, 115.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 74 + H THR 74 OK 100 100 - 100 Peak 7040 from nnoeabs.peaks (4.59, 8.47, 115.55 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 71 + H THR 74 OK 100 100 100 100 3.7-3.8 10488=99, 2254/7047=85...(10) Violated in 0 structures by 0.00 A. Peak 7042 from nnoeabs.peaks (4.18, 8.47, 115.55 ppm; 4.58 A increased from 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + H THR 74 OK 100 100 100 100 4.4-4.5 9887=93, 3.6/7036=79...(11) Violated in 0 structures by 0.00 A. Peak 7043 from nnoeabs.peaks (8.38, 8.47, 115.55 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 73 + H THR 74 OK 100 100 100 100 2.6-2.7 7036=100, 2328/7045=53...(14) H ILE 77 - H THR 74 far 0 70 0 - 5.0-5.1 H TRP 48 - H THR 74 far 0 71 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 7044 from nnoeabs.peaks (3.81, 8.47, 115.55 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 73 + H THR 74 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 PHE 79 - H THR 74 far 0 90 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 7045 from nnoeabs.peaks (1.52, 8.47, 115.55 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 73 + H THR 74 OK 100 100 100 100 2.6-2.6 2331=99, 2328/7036=58...(13) HG LEU 12 - H THR 74 far 0 100 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 7046 from nnoeabs.peaks (3.54, 8.47, 115.55 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 74 + H THR 74 OK 100 100 100 100 2.8-2.8 3.0=100 HA TRP 48 - H THR 74 far 0 65 0 - 5.9-6.1 HA VAL 76 - H THR 74 far 0 85 0 - 7.1-7.2 HA ILE 67 - H THR 74 far 0 94 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 7047 from nnoeabs.peaks (4.23, 8.47, 115.55 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 74 + H THR 74 OK 100 100 100 100 2.1-2.1 2340=89, 2.1/2345=60...(14) HA VAL 102 - H THR 74 far 0 96 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 7048 from nnoeabs.peaks (0.96, 8.47, 115.55 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 74 + H THR 74 OK 100 100 100 100 3.3-3.4 2345=100, 2.1/7047=79...(10) QG1 VAL 76 - H THR 74 far 0 91 0 - 6.4-6.5 HG3 LYS 52 - H THR 74 far 0 90 0 - 8.1-11.2 QG1 VAL 14 - H THR 74 far 0 97 0 - 8.3-8.6 QG1 VAL 25 - H THR 74 far 0 98 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 7049 from nnoeabs.peaks (7.53, 8.47, 115.55 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 75 + H THR 74 OK 99 100 100 99 2.7-2.7 2344/7047=54, 7056=52...(12) HD21 ASN 78 - H THR 74 far 0 75 0 - 6.0-6.2 H GLN 49 - H THR 74 far 0 63 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 7051 from nnoeabs.peaks (7.53, 7.53, 118.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 75 + H GLU 75 OK 100 100 - 100 H LEU 83 + H LEU 83 OK 97 97 - 100 Peak 7053 from nnoeabs.peaks (4.18, 7.53, 118.75 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + H GLU 75 OK 100 100 100 100 3.5-3.6 2280=100, 9943/2383=60...(9) Violated in 0 structures by 0.00 A. Peak 7054 from nnoeabs.peaks (8.38, 7.53, 118.75 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 73 + H GLU 75 OK 100 100 100 100 4.0-4.1 7037=84, 7036/7049=80...(7) H ILE 77 + H GLU 75 OK 58 70 100 84 4.3-4.4 4.6/7072=53...(4) H TRP 48 - H GLU 75 far 0 71 0 - 9.1-9.4 H ILE 77 - H LEU 83 far 0 66 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 7055 from nnoeabs.peaks (3.81, 7.53, 118.75 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 73 + H GLU 75 OK 100 100 100 100 4.1-4.2 3.6/7049=80, 3.0/7037=67...(8) HA LYS 84 + H LEU 83 OK 91 98 100 93 5.2-5.3 2.9/10560=81, 10664=38...(6) HB2 PHE 79 - H LEU 83 far 0 86 0 - 6.3-6.7 HB2 PHE 79 - H GLU 75 far 0 90 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 7056 from nnoeabs.peaks (8.47, 7.53, 118.75 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * H THR 74 + H GLU 75 OK 100 100 100 100 2.7-2.7 7049=96, 7047/2344=53...(12) H ASP 82 + H LEU 83 OK 92 95 100 97 2.5-2.8 10361=78, 10363/10374=51...(6) H ASN 78 - H GLU 75 far 0 91 0 - 4.7-4.7 H ASN 78 - H LEU 83 far 0 87 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 7057 from nnoeabs.peaks (3.54, 7.53, 118.75 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 74 + H GLU 75 OK 100 100 100 100 3.5-3.5 3.6=100 HA VAL 76 - H GLU 75 far 9 85 10 - 5.3-5.3 HA VAL 76 - H LEU 83 far 0 82 0 - 8.1-8.7 HA TRP 48 - H GLU 75 far 0 65 0 - 8.3-8.5 HA ILE 67 - H GLU 75 far 0 94 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 7058 from nnoeabs.peaks (4.23, 7.53, 118.75 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 74 + H GLU 75 OK 100 100 100 100 3.2-3.3 2344=100, 2.1/7059=61...(13) HA VAL 102 - H GLU 75 far 0 96 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 7059 from nnoeabs.peaks (0.96, 7.53, 118.75 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 74 + H GLU 75 OK 100 100 100 100 2.4-2.5 4.2=82, 2.1/2344=78...(15) QG1 VAL 76 - H GLU 75 far 0 91 0 - 5.7-5.8 QG1 VAL 76 - H LEU 83 far 0 87 0 - 7.3-7.7 QG1 VAL 14 - H GLU 75 far 0 97 0 - 8.0-8.2 QG1 VAL 14 - H LEU 83 far 0 94 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 7060 from nnoeabs.peaks (4.05, 7.53, 118.75 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + H GLU 75 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7061 from nnoeabs.peaks (2.27, 7.53, 118.75 ppm; 3.38 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLU 75 + H GLU 75 OK 99 100 100 99 2.6-2.8 4.0=62, 3.0/2383=52...(17) HB3 GLU 75 + H GLU 75 OK 99 100 100 99 3.6-3.6 4.0=62, 3.0/2383=52...(14) HB3 GLN 72 - H GLU 75 far 0 99 0 - 5.7-5.8 HG2 GLN 72 - H GLU 75 far 0 87 0 - 6.0-6.2 HB2 GLN 86 - H LEU 83 far 0 98 0 - 6.2-6.6 HG2 GLN 86 - H LEU 83 far 0 93 0 - 6.3-6.6 HG2 GLN 89 - H LEU 83 far 0 83 0 - 7.1-11.1 HG3 GLN 89 - H LEU 83 far 0 66 0 - 7.4-11.4 HG3 GLU 101 - H GLU 75 far 0 98 0 - 7.8-8.1 HG2 GLU 101 - H GLU 75 far 0 98 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 7062 from nnoeabs.peaks (2.27, 7.53, 118.75 ppm; 3.38 A): 2 out of 10 assignments used, quality = 1.00: HB2 GLU 75 + H GLU 75 OK 99 100 100 99 2.6-2.8 4.0=62, 3.0/2383=52...(17) * HB3 GLU 75 + H GLU 75 OK 99 100 100 99 3.6-3.6 4.0=62, 3.0/2383=52...(14) HB3 GLN 72 - H GLU 75 far 0 100 0 - 5.7-5.8 HG2 GLN 72 - H GLU 75 far 0 88 0 - 6.0-6.2 HB2 GLN 86 - H LEU 83 far 0 98 0 - 6.2-6.6 HG2 GLN 86 - H LEU 83 far 0 94 0 - 6.3-6.6 HG2 GLN 89 - H LEU 83 far 0 82 0 - 7.1-11.1 HG3 GLN 89 - H LEU 83 far 0 64 0 - 7.4-11.4 HG3 GLU 101 - H GLU 75 far 0 98 0 - 7.8-8.1 HG2 GLU 101 - H GLU 75 far 0 99 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 7063 from nnoeabs.peaks (2.37, 7.53, 118.75 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 75 + H GLU 75 OK 100 100 100 100 1.9-2.2 2376=100, 1.8/2383=79...(13) HB2 GLN 81 - H LEU 83 far 0 92 0 - 5.6-6.1 HB2 GLU 101 - H GLU 75 far 0 93 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 7064 from nnoeabs.peaks (2.59, 7.53, 118.75 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 75 + H GLU 75 OK 100 100 100 100 2.8-3.1 2383=100, 1.8/2376=76...(14) Violated in 0 structures by 0.00 A. Peak 7065 from nnoeabs.peaks (7.94, 7.53, 118.75 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 76 + H GLU 75 OK 100 100 100 100 2.7-2.7 7072=100, 2389/2383=50...(10) HD22 ASN 85 - H LEU 83 far 0 70 0 - 5.0-6.3 Violated in 0 structures by 0.00 A. Peak 7067 from nnoeabs.peaks (7.94, 7.94, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + H VAL 76 OK 100 100 - 100 Peak 7068 from nnoeabs.peaks (4.18, 7.94, 119.98 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + H VAL 76 OK 100 100 100 100 4.2-4.5 2280/7072=71...(7) Violated in 0 structures by 0.00 A. Peak 7069 from nnoeabs.peaks (3.81, 7.94, 119.98 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 73 + H VAL 76 OK 100 100 100 100 3.5-3.6 2325=86, 9960/2406=76...(9) HB2 PHE 79 - H VAL 76 far 4 90 5 - 5.1-5.8 HA LYS 98 - H VAL 76 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 7072 from nnoeabs.peaks (7.53, 7.94, 119.98 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 75 + H VAL 76 OK 100 100 100 100 2.7-2.7 7065=96, 2383/2389=49...(10) HD21 ASN 78 - H VAL 76 far 0 75 0 - 5.8-5.9 HZ2 TRP 42 - H VAL 76 far 0 87 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 7074 from nnoeabs.peaks (2.27, 7.94, 119.98 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 75 + H VAL 76 OK 100 100 100 100 2.2-2.3 4.6=62, 10501/2406=60...(14) HB3 GLU 75 + H VAL 76 OK 98 100 100 98 3.5-3.6 4.6=62, 3.0/2389=46...(11) HB3 GLN 72 - H VAL 76 far 0 99 0 - 6.0-6.2 HG2 GLN 72 - H VAL 76 far 0 87 0 - 6.0-6.1 HG3 GLU 101 - H VAL 76 far 0 98 0 - 7.4-7.8 HG2 GLU 101 - H VAL 76 far 0 98 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 7075 from nnoeabs.peaks (2.27, 7.94, 119.98 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 75 + H VAL 76 OK 100 100 100 100 2.2-2.3 4.6=62, 10501/2406=60...(14) * HB3 GLU 75 + H VAL 76 OK 98 100 100 98 3.5-3.6 4.6=62, 3.0/2389=46...(11) HB3 GLN 72 - H VAL 76 far 0 100 0 - 6.0-6.2 HG2 GLN 72 - H VAL 76 far 0 88 0 - 6.0-6.1 HG3 GLU 101 - H VAL 76 far 0 98 0 - 7.4-7.8 HG2 GLU 101 - H VAL 76 far 0 99 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 7078 from nnoeabs.peaks (3.52, 7.94, 119.98 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 76 + H VAL 76 OK 100 100 100 100 2.8-2.8 3.0=100 HA THR 74 - H VAL 76 far 0 85 0 - 4.8-4.9 Violated in 0 structures by 0.00 A. Peak 7079 from nnoeabs.peaks (1.85, 7.94, 119.98 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 76 + H VAL 76 OK 100 100 100 100 2.4-2.4 2400=100, 2.1/2406=76...(13) HB3 LEU 12 - H VAL 76 far 0 95 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 7080 from nnoeabs.peaks (0.29, 7.94, 119.98 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 76 + H VAL 76 OK 100 100 100 100 2.3-2.5 2406=100, 2.1/2400=66...(15) QG1 VAL 21 - H VAL 76 far 0 96 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 7081 from nnoeabs.peaks (0.94, 7.94, 119.98 ppm; 4.12 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 76 + H VAL 76 OK 100 100 100 100 3.7-3.7 3.9=100 QG2 THR 74 + H VAL 76 OK 85 91 100 93 4.6-4.7 9938/3.6=56, 4.2/7072=46...(6) QG1 VAL 14 - H VAL 76 far 0 100 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 7082 from nnoeabs.peaks (8.35, 7.94, 119.98 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 77 + H VAL 76 OK 100 100 100 100 2.9-3.0 7089=100, 7091/2400=58...(6) H ALA 73 - H VAL 76 far 0 70 0 - 4.9-5.0 H VAL 103 - H VAL 76 far 0 82 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 7084 from nnoeabs.peaks (8.35, 8.35, 120.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 77 + H ILE 77 OK 100 100 - 100 Peak 7086 from nnoeabs.peaks (3.54, 8.35, 120.11 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * HA THR 74 + H ILE 77 OK 98 100 100 98 4.0-4.1 2338/7095=66...(8) HA VAL 76 + H ILE 77 OK 85 85 100 100 3.6-3.6 3.6=100 HA TRP 48 - H ILE 77 far 0 65 0 - 7.4-7.7 HA PRO 43 - H ILE 77 far 0 77 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 7089 from nnoeabs.peaks (7.94, 8.35, 120.11 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 76 + H ILE 77 OK 99 100 100 99 2.9-3.0 7082=93, 2400/7091=56...(6) Violated in 0 structures by 0.00 A. Peak 7090 from nnoeabs.peaks (3.52, 8.35, 120.11 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 76 + H ILE 77 OK 100 100 100 100 3.6-3.6 3.6=100 HA THR 74 + H ILE 77 OK 82 85 100 96 4.0-4.1 2338/7095=55...(8) HA PRO 43 - H ILE 77 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 7091 from nnoeabs.peaks (1.85, 8.35, 120.11 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 76 + H ILE 77 OK 100 100 100 100 2.3-2.4 2405=99, 2.1/2417=70...(8) HB3 LEU 12 - H ILE 77 far 0 95 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 7092 from nnoeabs.peaks (0.29, 8.35, 120.11 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 76 + H ILE 77 OK 100 100 100 100 3.8-3.9 2411=97, 2.1/2417=79...(10) QG1 VAL 21 - H ILE 77 far 0 96 0 - 5.0-5.2 Violated in 0 structures by 0.00 A. Peak 7093 from nnoeabs.peaks (0.94, 8.35, 120.11 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 76 + H ILE 77 OK 100 100 100 100 2.7-2.9 2417=100, 2.1/7091=81...(10) QG1 VAL 14 - H ILE 77 far 0 100 0 - 5.0-5.5 QG2 THR 74 - H ILE 77 far 0 91 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 7094 from nnoeabs.peaks (3.40, 8.35, 120.11 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 77 + H ILE 77 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 TRP 48 - H ILE 77 far 0 100 0 - 6.1-8.5 Violated in 0 structures by 0.00 A. Peak 7095 from nnoeabs.peaks (1.46, 8.35, 120.11 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 77 + H ILE 77 OK 100 100 100 100 2.4-2.5 2430=81, 2.1/2438=58...(10) QB ALA 47 - H ILE 77 far 0 70 0 - 6.2-6.4 HB3 LEU 51 - H ILE 77 far 0 88 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 7096 from nnoeabs.peaks (-0.33, 8.35, 120.11 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + H ILE 77 OK 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 7097 from nnoeabs.peaks (0.50, 8.35, 120.11 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 77 + H ILE 77 OK 100 100 100 100 3.5-3.7 2446=88, 1.8/7098=81...(10) QG2 VAL 14 + H ILE 77 OK 94 100 100 94 4.1-4.3 10854/7092=59...(6) QD2 LEU 51 - H ILE 77 far 0 88 0 - 7.0-7.4 HG3 LYS 98 - H ILE 77 far 0 85 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 7098 from nnoeabs.peaks (1.57, 8.35, 120.11 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 77 + H ILE 77 OK 100 100 100 100 2.2-2.4 2454=79, 2.1/7099=70...(11) HB2 LEU 70 - H ILE 77 far 0 71 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 7099 from nnoeabs.peaks (0.58, 8.35, 120.11 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 77 + H ILE 77 OK 100 100 100 100 3.6-3.6 2462=99, 2.1/7098=68...(11) QD1 LEU 83 - H ILE 77 far 0 96 0 - 7.8-8.9 QD2 LEU 83 - H ILE 77 far 0 88 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 7100 from nnoeabs.peaks (8.45, 8.35, 120.11 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 78 + H ILE 77 OK 100 100 100 100 2.8-2.8 7107=100, 3.9/2438=45...(6) H THR 74 - H ILE 77 far 0 91 0 - 5.0-5.1 H TRP 48 - H ILE 77 far 0 59 0 - 7.3-7.6 H ASP 82 - H ILE 77 far 0 99 0 - 8.1-8.4 H ALA 22 - H ILE 77 far 0 100 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 7102 from nnoeabs.peaks (8.45, 8.45, 116.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASN 78 + H ASN 78 OK 100 100 - 100 H LEU 55 + H LEU 55 OK 97 97 - 100 Peak 7104 from nnoeabs.peaks (4.05, 8.45, 116.32 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 75 + H ASN 78 OK 100 100 100 100 3.6-3.6 2357=96, 2359/2486=47...(11) HA GLU 54 + H LEU 55 OK 95 95 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7106 from nnoeabs.peaks (3.52, 8.45, 116.32 ppm; 4.86 A): 3 out of 4 assignments used, quality = 1.00: * HA VAL 76 + H ASN 78 OK 98 100 100 98 4.0-4.1 3.6/6694=82...(6) HA GLU 56 + H LEU 55 OK 82 82 100 99 5.2-5.2 3.0/6715=92, 3.6/6731=69...(6) HA THR 74 + H ASN 78 OK 80 85 100 94 4.3-4.5 9979/3.9=56...(6) HD2 PRO 43 - H ASN 78 far 0 99 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 7107 from nnoeabs.peaks (8.35, 8.45, 116.32 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.93: * H ILE 77 + H ASN 78 OK 93 100 100 93 2.8-2.8 7100=75, 2438/3.9=37...(6) H ASP 53 - H LEU 55 far 0 59 0 - 4.4-4.7 H ALA 73 - H ASN 78 far 0 70 0 - 7.8-7.9 Violated in 0 structures by 0.00 A. Peak 7109 from nnoeabs.peaks (1.46, 8.45, 116.32 ppm; 4.23 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 77 + H ASN 78 OK 98 100 100 98 2.9-3.0 2437=85, 7095/7107=67...(5) QB ALA 57 + H LEU 55 OK 89 89 100 100 4.5-4.6 1744/3.6=67, 2.9/6731=62...(12) HB3 LEU 51 - H LEU 55 far 0 85 0 - 6.0-6.5 HG LEU 70 - H LEU 55 far 0 67 0 - 6.4-6.7 HG3 LYS 58 - H LEU 55 far 0 98 0 - 7.2-7.3 QB ALA 47 - H ASN 78 far 0 70 0 - 7.6-7.8 HB2 LEU 36 - H LEU 55 far 0 99 0 - 7.6-8.1 QB ALA 47 - H LEU 55 far 0 67 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 7110 from nnoeabs.peaks (-0.33, 8.45, 116.32 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + H ASN 78 OK 100 100 100 100 3.4-3.5 3.9=100 Violated in 0 structures by 0.00 A. Peak 7112 from nnoeabs.peaks (1.57, 8.45, 116.32 ppm; 3.56 A): 1 out of 8 assignments used, quality = 0.72: HB2 LEU 55 + H LEU 55 OK 72 72 100 100 2.6-2.8 4.0=71, 1.8/6704=67...(13) ! HG13 ILE 77 - H ASN 78 far 0 100 0 - 4.5-4.6 HB2 ARG 66 - H LEU 55 far 0 93 0 - 4.7-5.1 HG LEU 36 - H LEU 55 far 0 98 0 - 5.0-5.5 HB3 LYS 58 - H LEU 55 far 0 89 0 - 5.9-6.7 HB2 LEU 70 - H LEU 55 far 0 69 0 - 8.9-9.3 QB ALA 62 - H LEU 55 far 0 99 0 - 9.5-9.8 HB3 LEU 83 - H ASN 78 far 0 96 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7114 from nnoeabs.peaks (4.38, 8.45, 116.32 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 78 + H ASN 78 OK 100 100 100 100 2.9-2.9 2.9=100 HA ASP 82 - H ASN 78 far 0 65 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 7115 from nnoeabs.peaks (2.84, 8.45, 116.32 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 78 + H ASN 78 OK 100 100 100 100 3.4-3.5 4.1=100 HE2 LYS 58 - H LEU 55 far 0 89 0 - 5.0-6.3 HB2 PHE 10 - H LEU 55 far 0 82 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 7116 from nnoeabs.peaks (2.90, 8.45, 116.32 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 78 + H ASN 78 OK 100 100 100 100 2.2-2.2 4.1=100 HD3 ARG 66 - H LEU 55 far 10 99 10 - 4.7-7.0 HE2 LYS 58 - H LEU 55 far 0 57 0 - 5.0-6.3 HB3 ASP 82 - H ASN 78 far 0 63 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 7119 from nnoeabs.peaks (8.16, 8.45, 116.32 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 79 + H ASN 78 OK 100 100 100 100 2.4-2.4 4.6=82, 7141/2486=56...(11) H LEU 70 - H LEU 55 far 0 95 0 - 8.5-8.8 HE3 TRP 42 - H ASN 78 far 0 100 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 7121 from nnoeabs.peaks (7.57, 7.57, 111.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 78 + HD21 ASN 78 OK 100 100 - 100 Peak 7122 from nnoeabs.peaks (8.45, 7.57, 111.17 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 78 + HD21 ASN 78 OK 100 100 100 100 3.7-3.8 7128/1.7=75, 2.9/2474=74...(9) H THR 74 - HD21 ASN 78 far 0 91 0 - 6.0-6.2 H ASP 82 - HD21 ASN 78 far 0 99 0 - 8.2-8.6 H TRP 48 - HD21 ASN 78 far 0 59 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 7124 from nnoeabs.peaks (2.84, 7.57, 111.17 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 78 + HD21 ASN 78 OK 100 100 100 100 3.0-3.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7125 from nnoeabs.peaks (2.90, 7.57, 111.17 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 78 + HD21 ASN 78 OK 100 100 100 100 2.1-2.2 3.5=100 HB3 ASP 82 - HD21 ASN 78 far 0 63 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 7126 from nnoeabs.peaks (6.75, 7.57, 111.17 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 78 + HD21 ASN 78 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7127 from nnoeabs.peaks (6.75, 6.75, 111.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 78 + HD22 ASN 78 OK 100 100 - 100 Peak 7128 from nnoeabs.peaks (8.45, 6.75, 111.17 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 78 + HD22 ASN 78 OK 100 100 100 100 4.7-4.8 7122/1.7=86, 2478/3.5=78...(7) H THR 74 - HD22 ASN 78 far 0 91 0 - 6.7-7.1 H ASP 82 - HD22 ASN 78 far 0 99 0 - 8.6-9.1 H TRP 48 - HD22 ASN 78 far 0 59 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 7130 from nnoeabs.peaks (2.84, 6.75, 111.17 ppm; 4.00 A increased from 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 78 + HD22 ASN 78 OK 100 100 100 100 3.8-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 7131 from nnoeabs.peaks (2.90, 6.75, 111.17 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 78 + HD22 ASN 78 OK 100 100 100 100 3.4-3.5 3.5=100 HB3 ASP 82 - HD22 ASN 78 far 0 63 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 7132 from nnoeabs.peaks (7.57, 6.75, 111.17 ppm; 2.49 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 78 + HD22 ASN 78 OK 100 100 100 100 1.7-1.7 1.7=100 H GLU 75 - HD22 ASN 78 far 0 75 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 7133 from nnoeabs.peaks (8.16, 8.16, 121.94 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H PHE 79 + H PHE 79 OK 100 100 - 100 H VAL 6 + H VAL 6 OK 54 54 - 100 H LEU 109 + H LEU 109 OK 40 40 - 100 Peak 7134 from nnoeabs.peaks (4.05, 8.16, 121.94 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 75 + H PHE 79 OK 100 100 100 100 4.2-4.4 10497=100, 2359/7141=92...(6) HB THR 8 - H VAL 6 poor 15 41 65 56 6.2-6.9 8688/4.0=34, 8688/4.0=32 Violated in 0 structures by 0.00 A. Peak 7135 from nnoeabs.peaks (3.52, 8.16, 121.94 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 76 + H PHE 79 OK 100 100 100 100 3.2-3.2 2396=87, 2398/7146=57...(10) HA THR 74 - H PHE 79 far 0 85 0 - 6.6-6.7 Violated in 0 structures by 0.00 A. Peak 7136 from nnoeabs.peaks (8.35, 8.16, 121.94 ppm; 4.41 A increased from 4.15 A): 2 out of 3 assignments used, quality = 0.98: * H ILE 77 + H PHE 79 OK 95 100 100 95 4.2-4.2 3.6/7135=65...(5) H GLU 110 + H LEU 109 OK 64 64 100 100 2.0-4.6 4.7=86, 7357/3.0=83...(7) H ALA 73 - H PHE 79 far 0 70 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 7137 from nnoeabs.peaks (3.40, 8.16, 121.94 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 77 + H PHE 79 OK 100 100 100 100 4.3-4.4 7153/7150=94...(4) HB3 TRP 48 - H PHE 79 far 0 100 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 7138 from nnoeabs.peaks (8.45, 8.16, 121.94 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.98: * H ASN 78 + H PHE 79 OK 97 100 100 97 2.4-2.4 7119=60, 2486/7141=40...(11) H HIS 7 + H VAL 6 OK 27 51 65 83 1.9-4.4 4.5=53, 4.5/52=35...(5) H ASP 82 - H PHE 79 far 0 99 0 - 4.7-5.0 H THR 74 - H PHE 79 far 0 91 0 - 7.9-8.1 H ALA 22 - H LEU 109 far 0 66 0 - 9.7-19.3 Violated in 0 structures by 0.00 A. Peak 7139 from nnoeabs.peaks (4.38, 8.16, 121.94 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 78 + H PHE 79 OK 100 100 100 100 3.5-3.5 3.6=100 HA ASP 82 - H PHE 79 far 0 65 0 - 7.1-7.6 HA VAL 103 - H LEU 109 far 0 65 0 - 8.7-17.2 Violated in 0 structures by 0.00 A. Peak 7140 from nnoeabs.peaks (2.84, 8.16, 121.94 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.99: * HB2 ASN 78 + H PHE 79 OK 97 100 100 97 3.4-3.5 1.8/7141=75, 2484=56...(6) HB3 ASN 108 + H LEU 109 OK 44 59 90 82 1.9-4.6 4.2=72, 10735/4.7=31, 3.5/9993=7 Violated in 0 structures by 0.00 A. Peak 7141 from nnoeabs.peaks (2.90, 8.16, 121.94 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.95: * HB3 ASN 78 + H PHE 79 OK 95 100 100 95 3.0-3.0 2492=62, 1.8/2484=52...(6) HB3 ASP 82 - H PHE 79 far 0 63 0 - 4.8-5.3 HB2 PHE 104 - H LEU 109 far 0 44 0 - 7.9-14.7 HB3 PHE 104 - H LEU 109 far 0 41 0 - 8.5-13.5 HE3 LYS 88 - H PHE 79 far 0 93 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 7144 from nnoeabs.peaks (4.74, 8.16, 121.94 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + H PHE 79 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7145 from nnoeabs.peaks (3.79, 8.16, 121.94 ppm; 3.21 A): 1 out of 7 assignments used, quality = 0.97: * HB2 PHE 79 + H PHE 79 OK 97 100 100 97 2.4-2.9 1.8/7146=66, 2502=55...(10) HA TRP 80 - H PHE 79 far 0 94 0 - 5.1-5.2 HB2 SER 105 - H LEU 109 far 0 53 0 - 5.7-11.3 HB3 SER 105 - H LEU 109 far 0 52 0 - 5.8-10.7 HA ALA 73 - H PHE 79 far 0 90 0 - 7.5-7.6 HD3 PRO 35 - H LEU 109 far 0 33 0 - 8.4-20.0 HA LYS 98 - H PHE 79 far 0 90 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 7146 from nnoeabs.peaks (3.67, 8.16, 121.94 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.98: * HB3 PHE 79 + H PHE 79 OK 98 100 100 98 2.2-2.7 1.8/7145=75, 2511=58...(7) HA LEU 83 - H PHE 79 far 0 92 0 - 8.7-9.3 HB3 SER 9 - H VAL 6 far 0 54 0 - 9.5-11.2 HB3 SER 38 - H LEU 109 far 0 39 0 - 9.7-17.7 HD2 PRO 35 - H LEU 109 far 0 45 0 - 10.0-21.5 Violated in 0 structures by 0.00 A. Peak 7147 from nnoeabs.peaks (7.68, 8.16, 121.94 ppm; 4.43 A increased from 3.94 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 79 + H PHE 79 OK 100 100 100 100 4.1-4.2 4.6=92, 2.4/7145=92...(8) H TYR 39 - H LEU 109 far 0 46 0 - 7.3-16.5 HE3 TRP 16 - H PHE 79 far 0 100 0 - 8.3-8.9 H LYS 84 - H PHE 79 far 0 85 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 7150 from nnoeabs.peaks (8.88, 8.16, 121.94 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.99: * H TRP 80 + H PHE 79 OK 99 100 100 99 2.5-2.6 7156=93, 7159/7146=42...(9) H SER 105 - H LEU 109 far 0 57 0 - 7.3-11.6 H LEU 15 - H LEU 109 far 0 63 0 - 9.0-16.5 Violated in 0 structures by 0.00 A. Peak 7151 from nnoeabs.peaks (8.88, 8.88, 119.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 80 + H TRP 80 OK 100 100 - 100 Peak 7152 from nnoeabs.peaks (3.52, 8.88, 119.68 ppm; 3.85 A increased from 3.62 A): 1 out of 3 assignments used, quality = 0.99: * HA VAL 76 + H TRP 80 OK 99 100 100 99 3.8-3.9 7135/7150=52, 9924=50...(12) HA THR 74 - H TRP 80 far 0 85 0 - 8.2-8.3 HD2 PRO 43 - H TRP 80 far 0 99 0 - 9.5-11.8 Violated in 3 structures by 0.00 A. Peak 7153 from nnoeabs.peaks (3.40, 8.88, 119.68 ppm; 4.01 A increased from 3.78 A): 1 out of 1 assignment used, quality = 0.98: * HA ILE 77 + H TRP 80 OK 98 100 100 98 3.7-3.8 2426=61, 2428/7165=55...(8) Violated in 0 structures by 0.00 A. Peak 7154 from nnoeabs.peaks (8.45, 8.88, 119.68 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: H ASP 82 + H TRP 80 OK 97 99 100 98 4.0-4.3 10392/2.9=62, 10616=57...(6) * H ASN 78 + H TRP 80 OK 95 100 100 95 4.0-4.2 3.6/7153=69...(5) H ALA 22 - H TRP 80 far 0 100 0 - 9.3-9.8 H THR 74 - H TRP 80 far 0 91 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 7156 from nnoeabs.peaks (8.16, 8.88, 119.68 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + H TRP 80 OK 100 100 100 100 2.5-2.6 7150=100, 7146/7159=44...(9) Violated in 0 structures by 0.00 A. Peak 7157 from nnoeabs.peaks (4.74, 8.88, 119.68 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 79 + H TRP 80 OK 100 100 100 100 3.5-3.6 3.6=100 HA TRP 16 - H TRP 80 far 0 77 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 7158 from nnoeabs.peaks (3.79, 8.88, 119.68 ppm; 3.28 A): 2 out of 5 assignments used, quality = 0.96: HA TRP 80 + H TRP 80 OK 94 94 100 100 2.7-2.8 2.9=100 * HB2 PHE 79 + H TRP 80 OK 39 100 40 97 3.7-4.0 1.8/7159=55...(14) HA ALA 73 - H TRP 80 far 0 90 0 - 8.2-8.4 HB3 TRP 16 - H TRP 80 far 0 99 0 - 8.8-9.9 HA LYS 84 - H TRP 80 far 0 96 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 7159 from nnoeabs.peaks (3.67, 8.88, 119.68 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.99: * HB3 PHE 79 + H TRP 80 OK 99 100 100 99 2.4-2.6 7146/7150=60, 2518=59...(13) HA LEU 83 - H TRP 80 far 0 92 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 7160 from nnoeabs.peaks (7.68, 8.88, 119.68 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 79 + H TRP 80 OK 100 100 100 100 3.1-4.0 4.5=79, 2.4/7159=75...(18) HE3 TRP 16 - H TRP 80 far 0 100 0 - 6.4-6.9 H LYS 84 - H TRP 80 far 0 85 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 7163 from nnoeabs.peaks (3.77, 8.88, 119.68 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: * HA TRP 80 + H TRP 80 OK 100 100 100 100 2.7-2.8 2.9=100 HB2 PHE 79 + H TRP 80 OK 92 94 100 98 3.7-4.0 1.8/7159=60, 2.4/7160=45...(14) HB3 TRP 16 - H TRP 80 far 0 100 0 - 8.8-9.9 HA LYS 84 - H TRP 80 far 0 70 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 7164 from nnoeabs.peaks (3.24, 8.88, 119.68 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 80 + H TRP 80 OK 100 100 100 100 2.6-2.8 3.6=100 Violated in 0 structures by 0.00 A. Peak 7165 from nnoeabs.peaks (3.47, 8.88, 119.68 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.97: * HB3 TRP 80 + H TRP 80 OK 97 100 100 97 2.3-2.4 3.6=88, 2428/7153=36...(10) HA ALA 95 - H TRP 80 far 0 100 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 7167 from nnoeabs.peaks (7.30, 8.88, 119.68 ppm; 4.52 A): 2 out of 7 assignments used, quality = 0.95: * HE3 TRP 80 + H TRP 80 OK 93 100 100 93 4.2-4.5 4.2/7165=63, 5.9=44...(6) QE PHE 79 + H TRP 80 OK 30 100 30 100 5.0-6.0 2.2/7160=80, 4.4/7159=55...(13) QD PHE 99 - H TRP 80 far 0 100 0 - 6.3-6.6 QE PHE 104 - H TRP 80 far 0 99 0 - 6.6-7.4 HE22 GLN 86 - H TRP 80 far 0 81 0 - 7.7-8.1 HE22 GLN 81 - H TRP 80 far 0 71 0 - 8.5-9.5 HH2 TRP 42 - H TRP 80 far 0 87 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 7171 from nnoeabs.peaks (8.27, 8.27, 119.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 93 + H ALA 93 OK 100 100 - 100 Peak 7172 from nnoeabs.peaks (4.01, 8.27, 119.85 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 93 + H ALA 93 OK 100 100 100 100 2.8-2.9 3.0=100 HA2 GLY 106 - H ALA 93 far 0 100 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 7173 from nnoeabs.peaks (1.31, 8.27, 119.85 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 93 + H ALA 93 OK 100 100 100 100 2.1-2.2 2.9=100 HB3 LYS 98 - H ALA 93 far 0 100 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 7174 from nnoeabs.peaks (7.65, 8.27, 119.85 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 94 + H ALA 93 OK 100 100 100 100 2.6-3.0 7177=100, 7179/2.9=85...(6) HE3 TRP 16 - H ALA 93 far 0 70 0 - 7.4-8.9 HE22 GLN 96 - H ALA 93 far 0 100 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 7176 from nnoeabs.peaks (7.65, 7.65, 119.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 94 + H GLU 94 OK 100 100 - 100 Peak 7177 from nnoeabs.peaks (8.27, 7.65, 119.59 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.98: * H ALA 93 + H GLU 94 OK 98 100 100 98 2.6-3.0 7174=78, 2.9/7179=76...(6) Violated in 0 structures by 0.00 A. Peak 7178 from nnoeabs.peaks (4.01, 7.65, 119.59 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 93 + H GLU 94 OK 100 100 100 100 3.5-3.6 3.6=100 HA2 GLY 106 - H GLU 94 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 7179 from nnoeabs.peaks (1.31, 7.65, 119.59 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.98: * QB ALA 93 + H GLU 94 OK 98 100 100 98 2.1-2.6 2587=81, 10095/3.0=36...(8) HB3 LYS 98 - H GLU 94 far 0 100 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 7180 from nnoeabs.peaks (3.87, 7.65, 119.59 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 94 + H GLU 94 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 7181 from nnoeabs.peaks (1.98, 7.65, 119.59 ppm; 3.69 A increased from 3.28 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 94 + H GLU 94 OK 100 100 100 100 3.5-3.6 3.9=87, 3.0/2609=59...(11) HB ILE 90 + H GLU 94 OK 64 100 95 67 4.0-4.3 3.2/10108=38...(4) HG13 ILE 90 - H GLU 94 far 4 84 5 - 4.3-5.9 HB3 GLN 89 - H GLU 94 far 0 84 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 7182 from nnoeabs.peaks (2.15, 7.65, 119.59 ppm; 2.92 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 94 + H GLU 94 OK 98 100 100 98 2.0-2.8 2609=57, 1.8/7184=48...(12) * HB3 GLU 94 + H GLU 94 OK 95 100 100 95 2.3-2.7 1632=45, 3.0/2609=37...(14) HG12 ILE 90 - H GLU 94 far 0 96 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 7183 from nnoeabs.peaks (2.15, 7.65, 119.59 ppm; 2.92 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 94 + H GLU 94 OK 98 100 100 98 2.0-2.8 2609=57, 1.8/7184=48...(12) HB3 GLU 94 + H GLU 94 OK 95 100 100 95 2.3-2.7 1632=46, 3.0/2609=37...(14) HG12 ILE 90 - H GLU 94 far 0 99 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 7184 from nnoeabs.peaks (2.25, 7.65, 119.59 ppm; 3.57 A increased from 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 94 + H GLU 94 OK 100 100 100 100 3.0-3.4 2616=96, 1.8/2609=74...(11) HG2 GLN 96 - H GLU 94 far 0 98 0 - 5.8-7.1 HG2 GLN 89 - H GLU 94 far 0 100 0 - 9.2-12.8 HG3 GLN 89 - H GLU 94 far 0 95 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 7185 from nnoeabs.peaks (7.54, 7.65, 119.59 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 95 + H GLU 94 OK 99 100 100 99 2.7-2.9 7190=88, 2608/3.9=31...(10) Violated in 0 structures by 0.00 A. Peak 7186 from nnoeabs.peaks (7.97, 7.65, 119.59 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 96 + H GLU 94 OK 100 100 100 100 3.8-4.2 7201=80, 7203/7185=78...(5) Violated in 0 structures by 0.00 A. Peak 7187 from nnoeabs.peaks (7.54, 7.54, 124.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 95 + H ALA 95 OK 100 100 - 100 Peak 7190 from nnoeabs.peaks (7.65, 7.54, 124.41 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 94 + H ALA 95 OK 100 100 100 100 2.7-2.9 7185=100, 3.9/2608=35...(10) HE3 TRP 16 - H ALA 95 far 0 70 0 - 6.0-7.0 HE22 GLN 96 - H ALA 95 far 0 100 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 7191 from nnoeabs.peaks (3.87, 7.54, 124.41 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 94 + H ALA 95 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7192 from nnoeabs.peaks (1.98, 7.54, 124.41 ppm; 4.39 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 94 + H ALA 95 OK 100 100 100 100 3.1-3.9 4.2=100 HB ILE 90 + H ALA 95 OK 91 100 95 97 4.0-5.1 3.2/11184=51, ~8522=32...(9) HG13 ILE 90 + H ALA 95 OK 74 84 90 98 3.3-5.7 2.1/11184=60, ~8522=45...(7) HB3 GLN 89 - H ALA 95 far 0 84 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 7193 from nnoeabs.peaks (2.15, 7.54, 124.41 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 94 + H ALA 95 OK 100 100 100 100 2.4-2.8 2608=94, 3.9/7185=58...(11) HG2 GLU 94 + H ALA 95 OK 100 100 100 100 4.1-4.5 2615=66, 2609/7185=64...(11) HG12 ILE 90 - H ALA 95 far 5 96 5 - 4.6-5.9 HB VAL 102 - H ALA 95 far 0 59 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 7194 from nnoeabs.peaks (2.15, 7.54, 124.41 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 94 + H ALA 95 OK 100 100 100 100 4.1-4.5 2615=66, 2609/7185=64...(11) HB3 GLU 94 + H ALA 95 OK 100 100 100 100 2.4-2.8 2608=94, 3.9/7185=58...(11) HG12 ILE 90 - H ALA 95 far 5 99 5 - 4.6-5.9 Violated in 0 structures by 0.00 A. Peak 7196 from nnoeabs.peaks (3.47, 7.54, 124.41 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 95 + H ALA 95 OK 100 100 100 100 2.8-2.8 2.9=100 HB3 TRP 80 - H ALA 95 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 7197 from nnoeabs.peaks (-0.02, 7.54, 124.41 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 95 + H ALA 95 OK 100 100 100 100 2.1-2.2 2.9=100 Violated in 0 structures by 0.00 A. Peak 7198 from nnoeabs.peaks (7.97, 7.54, 124.41 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 96 + H ALA 95 OK 100 100 100 100 2.5-2.8 7203=100, 7205/2.9=62...(4) Violated in 0 structures by 0.00 A. Peak 7199 from nnoeabs.peaks (7.97, 7.97, 115.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 96 + H GLN 96 OK 100 100 - 100 Peak 7200 from nnoeabs.peaks (4.01, 7.97, 115.44 ppm; 4.25 A): 1 out of 2 assignments used, quality = 0.99: * HA ALA 93 + H GLN 96 OK 99 100 100 99 3.4-3.8 2581=72, 2583/7208=62...(6) HA2 GLY 106 - H GLN 96 far 0 100 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 7201 from nnoeabs.peaks (7.65, 7.97, 115.44 ppm; 4.37 A increased from 4.11 A): 2 out of 3 assignments used, quality = 0.99: * H GLU 94 + H GLN 96 OK 99 100 100 99 3.8-4.2 7186=77, 7185/7203=69...(5) HE22 GLN 96 + H GLN 96 OK 25 100 25 99 4.3-5.7 3.5/7209=62, 3.5/7210=60...(6) HE3 TRP 16 - H GLN 96 far 0 70 0 - 6.7-7.7 Violated in 0 structures by 0.00 A. Peak 7203 from nnoeabs.peaks (7.54, 7.97, 115.44 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.98: * H ALA 95 + H GLN 96 OK 98 100 100 98 2.5-2.8 7198=92, 2.9/7205=59...(4) Violated in 0 structures by 0.00 A. Peak 7204 from nnoeabs.peaks (3.47, 7.97, 115.44 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 95 + H GLN 96 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7205 from nnoeabs.peaks (-0.02, 7.97, 115.44 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.99: * QB ALA 95 + H GLN 96 OK 99 100 100 99 2.5-2.8 3.7=96, 2.9/7203=55 Violated in 0 structures by 0.00 A. Peak 7206 from nnoeabs.peaks (3.70, 7.97, 115.44 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 96 + H GLN 96 OK 100 100 100 100 2.8-2.8 3.0=100 HA2 GLY 97 - H GLN 96 far 0 77 0 - 5.3-5.5 HB3 PHE 79 - H GLN 96 far 0 79 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 7207 from nnoeabs.peaks (1.72, 7.97, 115.44 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 96 + H GLN 96 OK 100 100 100 100 3.3-3.6 4.0=78, 1.8/7208=78...(8) Violated in 0 structures by 0.00 A. Peak 7208 from nnoeabs.peaks (1.87, 7.97, 115.44 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLN 96 + H GLN 96 OK 99 100 100 99 2.1-2.3 4.0=70, 1.8/7207=69...(8) HB VAL 103 - H GLN 96 far 0 100 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 7209 from nnoeabs.peaks (2.27, 7.97, 115.44 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 96 + H GLN 96 OK 100 100 100 100 2.7-3.7 1.8/7210=73, 3.0/7208=68...(9) HG3 GLU 94 - H GLN 96 far 0 98 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 7210 from nnoeabs.peaks (2.20, 7.97, 115.44 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 96 + H GLN 96 OK 100 100 100 100 3.3-4.2 2669=86, 1.8/7209=79...(9) HB VAL 102 - H GLN 96 far 0 99 0 - 7.1-7.5 Violated in 3 structures by 0.01 A. Peak 7213 from nnoeabs.peaks (7.43, 7.97, 115.44 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.99: * H GLY 97 + H GLN 96 OK 99 100 100 99 2.7-2.9 7231=90, 4.1/7208=45...(8) HZ3 TRP 16 - H GLN 96 far 0 96 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 7214 from nnoeabs.peaks (7.92, 7.92, 117.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 96 + HE21 GLN 96 OK 100 100 - 100 Peak 7219 from nnoeabs.peaks (2.27, 7.92, 117.56 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 96 + HE21 GLN 96 OK 100 100 100 100 3.4-3.7 3.5=100 HG2 GLU 101 - HE21 GLN 96 far 0 95 0 - 9.3-10.7 HG3 GLU 101 - HE21 GLN 96 far 0 94 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 7220 from nnoeabs.peaks (2.20, 7.92, 117.56 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 96 + HE21 GLN 96 OK 100 100 100 100 3.7-4.1 3.5=100 HB VAL 102 - HE21 GLN 96 far 0 99 0 - 6.0-6.8 Violated in 0 structures by 0.00 A. Peak 7221 from nnoeabs.peaks (7.64, 7.92, 117.56 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 96 + HE21 GLN 96 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 108 - HE21 GLN 96 far 0 100 0 - 8.3-21.6 H GLU 94 - HE21 GLN 96 far 0 100 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 7222 from nnoeabs.peaks (7.64, 7.64, 117.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 96 + HE22 GLN 96 OK 100 100 - 100 Peak 7227 from nnoeabs.peaks (2.27, 7.64, 117.56 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 96 + HE22 GLN 96 OK 100 100 100 100 2.1-2.7 3.5=100 HG3 GLU 101 - HE22 GLN 96 far 0 94 0 - 9.5-11.3 HG2 GLU 101 - HE22 GLN 96 far 0 95 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 7228 from nnoeabs.peaks (2.20, 7.64, 117.56 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 96 + HE22 GLN 96 OK 100 100 100 100 2.8-3.6 3.5=100 HB VAL 102 - HE22 GLN 96 far 0 99 0 - 5.3-6.6 Violated in 0 structures by 0.00 A. Peak 7229 from nnoeabs.peaks (7.92, 7.64, 117.56 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 96 + HE22 GLN 96 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7230 from nnoeabs.peaks (7.43, 7.43, 103.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 97 + H GLY 97 OK 100 100 - 100 Peak 7231 from nnoeabs.peaks (7.97, 7.43, 103.99 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 96 + H GLY 97 OK 100 100 100 100 2.7-2.9 7213=100, 7208/4.1=48...(8) Violated in 0 structures by 0.00 A. Peak 7232 from nnoeabs.peaks (3.70, 7.43, 103.99 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 96 + H GLY 97 OK 98 100 100 98 3.5-3.6 3.6=94, 3.0/7213=49...(8) HA2 GLY 97 + H GLY 97 OK 77 77 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7233 from nnoeabs.peaks (1.72, 7.43, 103.99 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 96 + H GLY 97 OK 100 100 100 100 2.5-3.3 4.1=100 Violated in 0 structures by 0.00 A. Peak 7234 from nnoeabs.peaks (1.87, 7.43, 103.99 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 96 + H GLY 97 OK 100 100 100 100 2.5-3.2 4.1=100 Violated in 0 structures by 0.00 A. Peak 7235 from nnoeabs.peaks (2.27, 7.43, 103.99 ppm; 5.37 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 96 + H GLY 97 OK 100 100 100 100 4.6-5.0 4.9=100 HG3 GLU 94 + H GLY 97 OK 35 98 40 90 5.6-6.4 2617/10140=85, 10093/10139=29 Violated in 0 structures by 0.00 A. Peak 7236 from nnoeabs.peaks (2.20, 7.43, 103.99 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 96 + H GLY 97 OK 100 100 100 100 4.7-5.2 4.9=100 HB VAL 102 - H GLY 97 far 0 99 0 - 7.9-8.3 Violated in 3 structures by 0.00 A. Peak 7239 from nnoeabs.peaks (3.67, 7.43, 103.99 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 97 + H GLY 97 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLN 96 + H GLY 97 OK 71 77 100 92 3.5-3.6 3.6=77, 3.0/7213=43...(8) Violated in 0 structures by 0.00 A. Peak 7240 from nnoeabs.peaks (3.77, 7.43, 103.99 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 97 + H GLY 97 OK 100 100 100 100 2.3-2.3 3.0=100 HB3 TRP 16 - H GLY 97 far 0 99 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 7241 from nnoeabs.peaks (7.11, 7.43, 103.99 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + H GLY 97 OK 100 100 100 100 2.5-2.8 7243=100, 10142/10141=32...(4) Violated in 0 structures by 0.00 A. Peak 7242 from nnoeabs.peaks (7.11, 7.11, 120.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + H LYS 98 OK 100 100 - 100 Peak 7243 from nnoeabs.peaks (7.43, 7.11, 120.34 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.91: * H GLY 97 + H LYS 98 OK 91 100 100 91 2.5-2.8 7241=84, 10141/10142=28...(4) HZ3 TRP 16 - H LYS 98 far 0 96 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 7244 from nnoeabs.peaks (3.67, 7.11, 120.34 ppm; 3.67 A): 2 out of 3 assignments used, quality = 1.00: * HA2 GLY 97 + H LYS 98 OK 100 100 100 100 3.0-3.4 3.6=100 HA GLN 96 + H LYS 98 OK 42 77 100 54 3.7-4.0 3.6/7243=51, 11258/4.7=5 HB3 PHE 79 - H LYS 98 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 7245 from nnoeabs.peaks (3.77, 7.11, 120.34 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 97 + H LYS 98 OK 100 100 100 100 3.2-3.5 3.6=100 HB2 PHE 79 - H LYS 98 far 0 91 0 - 8.5-9.7 HB3 TRP 16 - H LYS 98 far 0 99 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 7246 from nnoeabs.peaks (3.81, 7.11, 120.34 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 98 + H LYS 98 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 PHE 79 - H LYS 98 far 0 90 0 - 8.5-9.7 HB3 TRP 16 - H LYS 98 far 0 71 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 7247 from nnoeabs.peaks (1.15, 7.11, 120.34 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LYS 98 + H LYS 98 OK 99 100 100 99 2.5-2.9 2696=88, 1.8/7248=72...(12) HD3 LYS 98 - H LYS 98 far 0 71 0 - 4.6-5.7 HB VAL 14 - H LYS 98 far 0 87 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 7248 from nnoeabs.peaks (1.31, 7.11, 120.34 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 98 + H LYS 98 OK 100 100 100 100 2.4-2.9 2706=97, 1.8/7247=68...(12) QB ALA 93 - H LYS 98 far 0 100 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 7249 from nnoeabs.peaks (0.25, 7.11, 120.34 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 98 + H LYS 98 OK 100 100 100 100 4.6-4.8 4.9=100 QG1 VAL 102 - H LYS 98 far 0 87 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 7250 from nnoeabs.peaks (0.47, 7.11, 120.34 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 98 + H LYS 98 OK 100 100 100 100 4.3-4.5 4.9=100 QG2 VAL 14 - H LYS 98 far 0 82 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 7255 from nnoeabs.peaks (8.85, 8.85, 115.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 101 + H GLU 101 OK 100 100 - 100 Peak 7256 from nnoeabs.peaks (4.50, 8.85, 115.51 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 100 + H GLU 101 OK 100 100 100 100 3.4-3.5 3.5=100 HA ASN 68 - H GLU 101 far 0 99 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 7257 from nnoeabs.peaks (2.37, 8.85, 115.51 ppm; 3.73 A increased from 2.98 A): 1 out of 3 assignments used, quality = 0.96: HB2 GLU 101 + H GLU 101 OK 96 96 100 100 3.6-3.7 2843=87, 2838/3.0=70...(12) ! HB2 PRO 100 - H GLU 101 far 15 100 15 - 4.2-4.4 HG2 GLU 75 - H GLU 101 far 0 100 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 7258 from nnoeabs.peaks (1.99, 8.85, 115.51 ppm; 2.97 A increased from 2.79 A): 1 out of 4 assignments used, quality = 0.59: HG2 PRO 100 + H GLU 101 OK 59 71 100 83 2.6-2.9 2835=45, 2.3/7262=45...(7) ! HB3 PRO 100 - H GLU 101 far 15 100 15 - 3.5-3.7 HG3 PRO 100 - H GLU 101 far 0 71 0 - 4.1-4.3 HB2 GLN 72 - H GLU 101 far 0 100 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 7259 from nnoeabs.peaks (1.96, 8.85, 115.51 ppm; 2.98 A increased from 2.65 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 101 + H GLU 101 OK 92 96 100 96 3.0-3.0 2850=47, 1.8/7264=47...(12) * HG2 PRO 100 + H GLU 101 OK 91 100 100 91 2.6-2.9 2835=64, 2.3/7262=45...(8) HB3 PRO 100 - H GLU 101 far 11 71 15 - 3.5-3.7 HG3 PRO 100 - H GLU 101 far 0 100 0 - 4.1-4.3 HB2 GLN 72 - H GLU 101 far 0 77 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 7260 from nnoeabs.peaks (1.96, 8.85, 115.51 ppm; 2.98 A increased from 2.65 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 101 + H GLU 101 OK 92 96 100 96 3.0-3.0 2850=47, 1.8/7264=47...(12) HG2 PRO 100 + H GLU 101 OK 91 100 100 91 2.6-2.9 2835=64, 2.3/7262=45...(8) HB3 PRO 100 - H GLU 101 far 11 71 15 - 3.5-3.7 ! HG3 PRO 100 - H GLU 101 far 0 100 0 - 4.1-4.3 HB2 GLN 72 - H GLU 101 far 0 77 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 7261 from nnoeabs.peaks (3.27, 8.85, 115.51 ppm; 4.05 A increased from 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + H GLU 101 OK 100 100 100 100 2.7-3.9 2.3/7258=90, 1.8/7262=87...(6) Violated in 0 structures by 0.00 A. Peak 7262 from nnoeabs.peaks (3.63, 8.85, 115.51 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.99: * HD3 PRO 100 + H GLU 101 OK 99 100 100 99 2.7-3.9 2.3/7258=78, 2795=76...(6) Violated in 3 structures by 0.04 A. Peak 7263 from nnoeabs.peaks (4.42, 8.85, 115.51 ppm; 2.95 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 101 + H GLU 101 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 103 - H GLU 101 far 0 70 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 7264 from nnoeabs.peaks (2.35, 8.85, 115.51 ppm; 3.73 A increased from 2.98 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 101 + H GLU 101 OK 100 100 100 100 3.6-3.7 2843=91, 2838/3.0=72...(12) HB2 PRO 100 - H GLU 101 far 14 96 15 - 4.2-4.4 HG2 GLU 75 - H GLU 101 far 0 93 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 7265 from nnoeabs.peaks (1.95, 8.85, 115.51 ppm; 2.98 A increased from 2.65 A): 2 out of 3 assignments used, quality = 0.99: * HB3 GLU 101 + H GLU 101 OK 96 100 100 96 3.0-3.0 2850=49, 1.8/7264=47...(12) HG2 PRO 100 + H GLU 101 OK 87 96 100 90 2.6-2.9 2835=62, 2.3/7262=45...(8) HG3 PRO 100 - H GLU 101 far 0 96 0 - 4.1-4.3 Violated in 0 structures by 0.00 A. Peak 7266 from nnoeabs.peaks (2.28, 8.85, 115.51 ppm; 2.73 A): 2 out of 7 assignments used, quality = 0.99: HG3 GLU 101 + H GLU 101 OK 94 100 100 94 2.1-2.2 2857=41, 3.0/7257=29...(13) * HG2 GLU 101 + H GLU 101 OK 89 100 100 89 2.4-2.6 2857=40, 2840/3.0=39...(8) HB3 GLN 72 - H GLU 101 far 0 100 0 - 4.7-4.9 HG2 GLN 72 - H GLU 101 far 0 98 0 - 6.3-6.6 HB2 GLU 75 - H GLU 101 far 0 98 0 - 7.0-7.3 HB3 GLU 75 - H GLU 101 far 0 99 0 - 8.0-8.3 HG2 GLN 96 - H GLU 101 far 0 95 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 7267 from nnoeabs.peaks (2.28, 8.85, 115.51 ppm; 2.73 A): 2 out of 7 assignments used, quality = 0.99: * HG3 GLU 101 + H GLU 101 OK 94 100 100 94 2.1-2.2 2864=41, 3.0/7257=29...(13) HG2 GLU 101 + H GLU 101 OK 89 100 100 89 2.4-2.6 2864=40, 2841/3.0=39...(8) HB3 GLN 72 - H GLU 101 far 0 100 0 - 4.7-4.9 HG2 GLN 72 - H GLU 101 far 0 99 0 - 6.3-6.6 HB2 GLU 75 - H GLU 101 far 0 98 0 - 7.0-7.3 HB3 GLU 75 - H GLU 101 far 0 98 0 - 8.0-8.3 HG2 GLN 96 - H GLU 101 far 0 94 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 7268 from nnoeabs.peaks (7.76, 8.85, 115.51 ppm; 2.82 A): 1 out of 2 assignments used, quality = 0.93: * H VAL 102 + H GLU 101 OK 93 100 100 93 2.4-2.6 7270=52, 2842/3.0=34...(12) H GLN 72 - H GLU 101 far 0 100 0 - 7.6-7.7 Violated in 0 structures by 0.00 A. Peak 7269 from nnoeabs.peaks (7.76, 7.76, 123.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 102 + H VAL 102 OK 100 100 - 100 Peak 7270 from nnoeabs.peaks (8.85, 7.76, 123.66 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 101 + H VAL 102 OK 100 100 100 100 2.4-2.6 7268=100, 3.0/2842=54...(12) H LYS 13 - H VAL 102 far 0 100 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 7271 from nnoeabs.peaks (4.42, 7.76, 123.66 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 101 + H VAL 102 OK 100 100 100 100 3.1-3.2 3.6=100 HA VAL 103 - H VAL 102 far 0 70 0 - 4.9-4.9 Violated in 0 structures by 0.00 A. Peak 7272 from nnoeabs.peaks (2.35, 7.76, 123.66 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 101 + H VAL 102 OK 100 100 100 100 4.5-4.6 4.1=100 HB2 PRO 100 - H VAL 102 far 0 96 0 - 5.5-5.6 HG2 GLU 75 - H VAL 102 far 0 93 0 - 8.7-10.1 HB2 ASP 26 - H VAL 102 far 0 70 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 7273 from nnoeabs.peaks (1.95, 7.76, 123.66 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 101 + H VAL 102 OK 100 100 100 100 3.7-3.9 4.1=100 HG2 PRO 100 + H VAL 102 OK 80 96 90 93 4.9-5.2 2827/7268=82...(5) HG3 PRO 100 - H VAL 102 far 0 96 0 - 6.1-6.3 HB VAL 69 - H VAL 102 far 0 85 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 7274 from nnoeabs.peaks (2.28, 7.76, 123.66 ppm; 4.54 A increased from 4.27 A): 2 out of 8 assignments used, quality = 1.00: HG3 GLU 101 + H VAL 102 OK 100 100 100 100 4.2-4.4 3.0/2856=73...(10) * HG2 GLU 101 + H VAL 102 OK 100 100 100 100 4.5-4.7 2840/2842=81...(8) HB3 GLN 72 - H VAL 102 far 0 100 0 - 5.3-5.6 HG2 GLN 72 - H VAL 102 far 0 98 0 - 5.7-6.1 HG2 GLN 96 - H VAL 102 far 0 95 0 - 7.0-7.8 HB2 GLU 75 - H VAL 102 far 0 98 0 - 7.6-8.0 HB3 GLU 75 - H VAL 102 far 0 99 0 - 8.9-9.2 HB2 ASP 26 - H VAL 102 far 0 59 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 7275 from nnoeabs.peaks (2.28, 7.76, 123.66 ppm; 4.54 A increased from 4.27 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 101 + H VAL 102 OK 100 100 100 100 4.2-4.4 3.0/2856=73...(10) HG2 GLU 101 + H VAL 102 OK 100 100 100 100 4.5-4.7 2841/2842=81...(8) HB3 GLN 72 - H VAL 102 far 0 100 0 - 5.3-5.6 HG2 GLN 72 - H VAL 102 far 0 99 0 - 5.7-6.1 HG2 GLN 96 - H VAL 102 far 0 94 0 - 7.0-7.8 HB2 GLU 75 - H VAL 102 far 0 98 0 - 7.6-8.0 HB3 GLU 75 - H VAL 102 far 0 98 0 - 8.9-9.2 HB2 ASP 26 - H VAL 102 far 0 61 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 7276 from nnoeabs.peaks (4.24, 7.76, 123.66 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 102 + H VAL 102 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7277 from nnoeabs.peaks (2.19, 7.76, 123.66 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.98: * HB VAL 102 + H VAL 102 OK 98 100 100 98 2.7-2.9 4.0=80, 2.1/2889=77...(7) HG3 GLN 96 - H VAL 102 far 0 99 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 7278 from nnoeabs.peaks (0.23, 7.76, 123.66 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 102 + H VAL 102 OK 100 100 100 100 3.9-3.9 4.0=100 HG2 LYS 98 - H VAL 102 far 0 87 0 - 9.0-10.1 QB ALA 24 - H VAL 102 far 0 79 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 7279 from nnoeabs.peaks (0.84, 7.76, 123.66 ppm; 3.43 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 102 + H VAL 102 OK 100 100 100 100 2.4-2.8 2889=100, 2.1/7277=60...(14) QG2 ILE 11 - H VAL 102 far 0 98 0 - 5.1-5.4 QG1 VAL 103 - H VAL 102 far 0 73 0 - 5.5-6.5 QD1 LEU 12 - H VAL 102 far 0 100 0 - 6.9-7.2 HD2 LYS 98 - H VAL 102 far 0 81 0 - 8.2-9.1 QG2 VAL 25 - H VAL 102 far 0 99 0 - 8.4-8.6 QG2 ILE 23 - H VAL 102 far 0 65 0 - 9.0-9.3 QD1 LEU 109 - H VAL 102 far 0 100 0 - 9.4-19.1 Violated in 0 structures by 0.00 A. Peak 7281 from nnoeabs.peaks (8.37, 8.37, 126.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 103 + H VAL 103 OK 100 100 - 100 Peak 7283 from nnoeabs.peaks (4.24, 8.37, 126.73 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 102 + H VAL 103 OK 100 100 100 100 2.2-2.3 3.5=100 HA ALA 24 - H VAL 103 far 0 99 0 - 8.6-8.9 HA LEU 109 - H VAL 103 far 0 94 0 - 9.4-18.9 Violated in 0 structures by 0.00 A. Peak 7285 from nnoeabs.peaks (0.23, 8.37, 126.73 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 102 + H VAL 103 OK 100 100 100 100 1.9-2.2 2888=100, 3.2/2876=68...(9) QB ALA 24 - H VAL 103 far 0 79 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 7286 from nnoeabs.peaks (0.84, 8.37, 126.73 ppm; 3.90 A): 3 out of 9 assignments used, quality = 1.00: * QG2 VAL 102 + H VAL 103 OK 99 100 100 99 3.9-4.1 4.3=74, 2.1/2888=70...(6) QG2 ILE 11 + H VAL 103 OK 74 98 90 84 4.4-4.6 8736=60, 8061/3.5=45...(4) QG1 VAL 103 + H VAL 103 OK 73 73 100 100 1.9-3.8 3.9=100 QD1 LEU 12 - H VAL 103 far 0 100 0 - 5.0-5.7 QG2 VAL 25 - H VAL 103 far 0 99 0 - 6.4-6.9 QG2 ILE 23 - H VAL 103 far 0 65 0 - 6.8-7.3 QD1 LEU 109 - H VAL 103 far 0 100 0 - 7.7-16.2 QD1 LEU 51 - H VAL 103 far 0 94 0 - 8.6-9.1 HG LEU 15 - H VAL 103 far 0 100 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 7287 from nnoeabs.peaks (4.39, 8.37, 126.73 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 103 + H VAL 103 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLU 101 - H VAL 103 far 0 70 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 7288 from nnoeabs.peaks (1.87, 8.37, 126.73 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * HB VAL 103 + H VAL 103 OK 100 100 100 100 2.5-3.7 2900=100, 2.1/2910=50...(11) HB3 LEU 12 + H VAL 103 OK 87 100 100 88 3.7-4.5 11265/2876=37...(8) HB VAL 76 - H VAL 103 far 0 87 0 - 7.2-7.5 HB3 GLN 96 - H VAL 103 far 0 100 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 7289 from nnoeabs.peaks (0.87, 8.37, 126.73 ppm; 3.56 A): 3 out of 10 assignments used, quality = 1.00: * QG1 VAL 103 + H VAL 103 OK 99 100 100 99 1.9-3.8 3.9=76, 2.1/2900=60...(11) QG2 VAL 103 + H VAL 103 OK 86 87 100 99 2.1-2.9 3.9=76, 2.1/2900=60...(13) QG2 VAL 102 + H VAL 103 OK 70 73 100 95 3.9-4.1 2.1/2888=59, 4.3=57...(6) QG2 ILE 11 - H VAL 103 far 0 92 0 - 4.4-4.6 QD1 LEU 12 - H VAL 103 far 0 85 0 - 5.0-5.7 QG2 VAL 25 - H VAL 103 far 0 87 0 - 6.4-6.9 QG1 VAL 69 - H VAL 103 far 0 91 0 - 7.0-7.6 QD1 LEU 109 - H VAL 103 far 0 77 0 - 7.7-16.2 QD1 LEU 51 - H VAL 103 far 0 97 0 - 8.6-9.1 HG LEU 15 - H VAL 103 far 0 77 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 7290 from nnoeabs.peaks (0.90, 8.37, 126.73 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 103 + H VAL 103 OK 100 100 100 100 2.1-2.9 3.9=77, 2.1/2900=61...(13) QG1 VAL 103 + H VAL 103 OK 86 87 100 99 1.9-3.8 3.9=77, 2.1/2900=61...(11) QG1 VAL 69 - H VAL 103 far 0 100 0 - 7.0-7.6 QD1 LEU 51 - H VAL 103 far 0 61 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 7291 from nnoeabs.peaks (8.86, 8.86, 116.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 105 + H SER 105 OK 100 100 - 100 Peak 7292 from nnoeabs.peaks (5.25, 8.86, 116.56 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 104 + H SER 105 OK 100 100 100 100 2.1-2.3 2921=100, 10731/3.0=37...(9) Violated in 0 structures by 0.00 A. Peak 7293 from nnoeabs.peaks (2.93, 8.86, 116.56 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: HB3 PHE 104 + H SER 105 OK 100 100 100 100 2.7-3.4 4.4=100 * HB2 PHE 104 + H SER 105 OK 100 100 100 100 3.8-4.2 4.4=100 HB3 HIS 111 - H SER 105 far 0 96 0 - 8.5-18.2 Violated in 0 structures by 0.00 A. Peak 7294 from nnoeabs.peaks (2.94, 8.86, 116.56 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 104 + H SER 105 OK 100 100 100 100 2.7-3.4 4.4=100 HB2 PHE 104 + H SER 105 OK 100 100 100 100 3.8-4.2 4.4=100 HB3 HIS 111 - H SER 105 far 0 98 0 - 8.5-18.2 Violated in 0 structures by 0.00 A. Peak 7298 from nnoeabs.peaks (4.67, 8.86, 116.56 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 105 + H SER 105 OK 100 100 100 100 2.7-2.9 3.0=100 HA ASN 108 - H SER 105 far 0 93 0 - 7.8-11.1 HA LEU 12 - H SER 105 far 0 96 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 7299 from nnoeabs.peaks (3.81, 8.86, 116.56 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: HB3 SER 105 + H SER 105 OK 100 100 100 100 2.2-2.9 3.9=100 * HB2 SER 105 + H SER 105 OK 100 100 100 100 2.6-3.7 3.9=100 HB3 TRP 16 - H SER 105 far 7 71 10 - 4.0-5.2 HB3 SER 107 - H SER 105 far 0 63 0 - 7.0-11.0 Violated in 0 structures by 0.00 A. Peak 7300 from nnoeabs.peaks (3.81, 8.86, 116.56 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 105 + H SER 105 OK 100 100 100 100 2.2-2.9 3.9=100 HB2 SER 105 + H SER 105 OK 100 100 100 100 2.6-3.7 3.9=100 HB3 TRP 16 - H SER 105 far 7 70 10 - 4.0-5.2 HB3 SER 107 - H SER 105 far 0 65 0 - 7.0-11.0 Violated in 0 structures by 0.00 A. Peak 7302 from nnoeabs.peaks (8.66, 8.66, 111.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 106 + H GLY 106 OK 100 100 - 100 Peak 7304 from nnoeabs.peaks (4.67, 8.66, 111.12 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 105 + H GLY 106 OK 100 100 100 100 2.1-2.5 3.6=100 HA ASN 108 - H GLY 106 far 9 93 10 - 5.4-8.5 Violated in 0 structures by 0.00 A. Peak 7329 from nnoeabs.peaks (7.64, 7.64, 112.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 108 + HD21 ASN 108 OK 100 100 - 100 Peak 7332 from nnoeabs.peaks (2.78, 7.64, 112.30 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 108 + HD21 ASN 108 OK 100 100 100 100 2.1-4.0 3.5=100 HB2 ASP 18 - HD21 ASN 108 far 0 73 0 - 7.6-23.5 HB3 ASP 18 - HD21 ASN 108 far 0 68 0 - 9.3-25.1 Violated in 1 structures by 0.01 A. Peak 7333 from nnoeabs.peaks (2.83, 7.64, 112.30 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 108 + HD21 ASN 108 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 7334 from nnoeabs.peaks (6.96, 7.64, 112.30 ppm; 2.89 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 108 + HD21 ASN 108 OK 100 100 100 100 1.7-1.7 1.7=100 QE PHE 41 - HD21 ASN 108 far 0 98 0 - 6.7-18.9 H LEU 17 - HD21 ASN 108 far 0 71 0 - 8.9-20.5 Violated in 0 structures by 0.00 A. Peak 7335 from nnoeabs.peaks (6.96, 6.96, 112.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 108 + HD22 ASN 108 OK 100 100 - 100 Peak 7338 from nnoeabs.peaks (2.78, 6.96, 112.30 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 108 + HD22 ASN 108 OK 100 100 100 100 3.4-4.0 3.5=100 HB2 ASP 18 - HD22 ASN 108 far 0 73 0 - 7.0-23.8 HB3 ASP 18 - HD22 ASN 108 far 0 68 0 - 8.6-25.3 Violated in 2 structures by 0.00 A. Peak 7339 from nnoeabs.peaks (2.83, 6.96, 112.30 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 108 + HD22 ASN 108 OK 100 100 100 100 2.2-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7340 from nnoeabs.peaks (7.64, 6.96, 112.30 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 108 + HD22 ASN 108 OK 100 100 100 100 1.7-1.7 1.7=100 HE3 TRP 16 - HD22 ASN 108 far 0 59 0 - 9.3-20.7 HE22 GLN 96 - HD22 ASN 108 far 0 100 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 7341 from nnoeabs.peaks (8.13, 8.13, 121.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 109 + H LEU 109 OK 100 100 - 100 H PHE 79 + H PHE 79 OK 40 40 - 100 Peak 7343 from nnoeabs.peaks (4.69, 8.13, 121.76 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 108 + H LEU 109 OK 100 100 100 100 2.4-3.6 3.6=100 HA SER 105 - H LEU 109 far 0 93 0 - 4.7-11.4 Violated in 0 structures by 0.00 A. Peak 7348 from nnoeabs.peaks (4.26, 8.13, 121.76 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 109 + H LEU 109 OK 100 100 100 100 2.8-2.9 3.0=100 HA3 GLY 106 - H LEU 109 far 4 84 5 - 3.9-10.3 HB THR 74 - H PHE 79 far 0 40 0 - 8.3-8.5 HA SER 38 - H LEU 109 far 0 92 0 - 8.8-16.2 Violated in 0 structures by 0.00 A. Peak 7349 from nnoeabs.peaks (1.48, 8.13, 121.76 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 109 + H LEU 109 OK 100 100 100 100 2.6-3.6 4.0=75, 2997/3.0=71...(10) HB ILE 77 - H PHE 79 far 0 59 0 - 5.1-5.2 HD2 LYS 13 - H LEU 109 far 0 100 0 - 7.7-16.0 HD3 LYS 13 - H LEU 109 far 0 100 0 - 8.0-16.9 Violated in 0 structures by 0.00 A. Peak 7350 from nnoeabs.peaks (1.55, 8.13, 121.76 ppm; 3.91 A increased from 3.48 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 109 + H LEU 109 OK 100 100 100 100 3.6-3.8 4.0=93, 2998/3.0=78...(9) HG LEU 109 + H LEU 109 OK 90 92 100 98 2.5-4.2 3019=66, 3021/4.0=37...(9) HG13 ILE 77 - H PHE 79 far 0 57 0 - 6.1-6.2 QB ALA 73 - H PHE 79 far 0 44 0 - 7.7-7.8 HB3 LEU 83 - H PHE 79 far 0 66 0 - 8.0-9.1 HD2 LYS 88 - H PHE 79 far 0 39 0 - 9.5-12.1 HD3 LYS 88 - H PHE 79 far 0 39 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 7351 from nnoeabs.peaks (1.53, 8.13, 121.76 ppm; 3.91 A increased from 3.48 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 109 + H LEU 109 OK 99 100 100 99 2.5-4.2 3019=72, 3021/4.0=41...(9) HB3 LEU 109 + H LEU 109 OK 92 92 100 100 3.6-3.8 4.0=93, 2999/3.0=78...(9) HG13 ILE 77 - H PHE 79 far 0 33 0 - 6.1-6.2 QB ALA 73 - H PHE 79 far 0 63 0 - 7.7-7.8 HB3 LEU 83 - H PHE 79 far 0 53 0 - 8.0-9.1 HD2 LYS 88 - H PHE 79 far 0 61 0 - 9.5-12.1 HD3 LYS 88 - H PHE 79 far 0 61 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 7353 from nnoeabs.peaks (0.84, 8.13, 121.76 ppm; 4.84 A): 1 out of 11 assignments used, quality = 1.00: * QD1 LEU 109 + H LEU 109 OK 100 100 100 100 1.8-2.5 4.7=100 HG LEU 15 - H LEU 109 far 5 100 5 - 5.4-14.0 QG1 VAL 103 - H LEU 109 far 4 77 5 - 5.4-13.1 QD2 LEU 17 - H LEU 109 lone 0 100 25 1 4.6-16.4 HD2 LYS 98 - H PHE 79 far 0 49 0 - 6.4-9.0 QD1 LEU 17 - H LEU 109 far 0 100 0 - 6.5-17.3 QG2 VAL 102 - H PHE 79 far 0 66 0 - 7.0-7.2 QG2 ILE 23 - H PHE 79 far 0 33 0 - 7.0-7.3 QD1 LEU 12 - H PHE 79 far 0 65 0 - 8.7-9.1 HB2 LYS 84 - H PHE 79 far 0 66 0 - 9.5-11.5 QG2 ILE 11 - H LEU 109 far 0 99 0 - 9.7-18.0 Violated in 0 structures by 0.00 A. Peak 7355 from nnoeabs.peaks (8.36, 8.36, 120.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H GLU 110 + H GLU 110 OK 100 100 - 100 H ALA 73 + H ALA 73 OK 51 51 - 100 H GLN 89 + H GLN 89 OK 32 32 - 100 Peak 7356 from nnoeabs.peaks (8.13, 8.36, 120.67 ppm; 4.78 A increased from 4.50 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 109 + H GLU 110 OK 100 100 100 100 2.0-4.6 4.7=100 H HIS 111 + H GLU 110 OK 99 99 100 100 2.0-4.6 4.6=100 H ASN 87 - H GLN 89 poor 19 29 65 - 4.6-7.2 H LYS 52 - H ALA 73 far 0 36 0 - 8.6-9.5 H PHE 79 - H ALA 73 far 0 41 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 7357 from nnoeabs.peaks (4.26, 8.36, 120.67 ppm; 3.22 A): 1 out of 7 assignments used, quality = 0.99: * HA LEU 109 + H GLU 110 OK 99 100 100 99 2.5-3.3 3002=93, 2997/7358=46...(8) HA ASN 87 - H GLN 89 far 0 43 0 - 4.1-6.5 HB THR 74 - H ALA 73 far 0 41 0 - 4.4-4.5 HA3 GLY 106 - H GLU 110 far 0 84 0 - 5.2-13.5 HA VAL 102 - H ALA 73 far 0 59 0 - 6.5-6.9 HA SER 38 - H GLU 110 far 0 92 0 - 7.8-15.3 HA ALA 24 - H ALA 73 far 0 66 0 - 9.1-9.5 Violated in 1 structures by 0.00 A. Peak 7358 from nnoeabs.peaks (1.48, 8.36, 120.67 ppm; 3.58 A increased from 3.37 A): 1 out of 5 assignments used, quality = 0.96: * HB2 LEU 109 + H GLU 110 OK 96 100 100 96 3.3-3.5 2997/7357=64, 4.2=61...(6) HB ILE 77 - H ALA 73 far 0 61 0 - 6.9-7.0 HB3 LEU 51 - H ALA 73 far 0 66 0 - 7.4-8.0 HD2 LYS 13 - H GLU 110 far 0 100 0 - 8.0-17.3 HD3 LYS 13 - H GLU 110 far 0 100 0 - 8.1-17.9 Violated in 0 structures by 0.00 A. Peak 7359 from nnoeabs.peaks (1.55, 8.36, 120.67 ppm; 3.32 A): 2 out of 11 assignments used, quality = 0.93: * HB3 LEU 109 + H GLU 110 OK 86 100 95 91 2.0-4.3 2998/7357=56, 4.2=49...(8) QB ALA 73 + H ALA 73 OK 45 45 100 100 2.0-2.1 2.9=100 HB3 LEU 83 - H GLN 89 poor 13 52 65 39 1.9-6.6 11175/4.4=21, ~10582=15...(4) HD2 LYS 88 - H GLN 89 far 4 30 15 - 3.3-5.8 HG LEU 109 - H GLU 110 far 0 92 0 - 4.0-5.6 HD3 LYS 88 - H GLN 89 far 0 30 0 - 4.3-5.8 HG LEU 12 - H ALA 73 far 0 49 0 - 5.4-5.5 HG13 ILE 77 - H ALA 73 far 0 59 0 - 6.3-6.6 HB3 LYS 84 - H GLN 89 far 0 27 0 - 7.0-10.9 HB2 ARG 66 - H ALA 73 far 0 40 0 - 9.6-9.9 HG2 ARG 44 - H GLU 110 far 0 94 0 - 9.6-24.8 Violated in 0 structures by 0.00 A. Peak 7360 from nnoeabs.peaks (1.53, 8.36, 120.67 ppm; 3.32 A): 2 out of 10 assignments used, quality = 0.93: HB3 LEU 109 + H GLU 110 OK 79 92 95 91 2.0-4.3 2999/7357=56, 4.2=49...(8) QB ALA 73 + H ALA 73 OK 65 65 100 100 2.0-2.1 2.9=100 HB3 LEU 83 - H GLN 89 poor 10 42 65 39 1.9-6.6 11175/4.4=19, ~10582=15...(4) HD2 LYS 88 - H GLN 89 far 7 48 15 - 3.3-5.8 ! HG LEU 109 - H GLU 110 far 0 100 0 - 4.0-5.6 HD3 LYS 88 - H GLN 89 far 0 48 0 - 4.3-5.8 HG LEU 12 - H ALA 73 far 0 66 0 - 5.4-5.5 HG13 ILE 77 - H ALA 73 far 0 34 0 - 6.3-6.6 HB3 LYS 84 - H GLN 89 far 0 46 0 - 7.0-10.9 HG2 ARG 44 - H GLU 110 far 0 61 0 - 9.6-24.8 Violated in 0 structures by 0.00 A. Peak 7361 from nnoeabs.peaks (0.75, 8.36, 120.67 ppm; 4.17 A): 2 out of 9 assignments used, quality = 0.99: * QD2 LEU 109 + H GLU 110 OK 98 100 100 98 3.1-4.4 3028/7357=70...(6) QG2 ILE 90 + H GLN 89 OK 27 37 100 72 2.7-4.1 3.2/9486=28, 3549/4.6=21...(8) QG2 VAL 69 - H ALA 73 far 0 51 0 - 5.1-5.1 QD1 ILE 23 - H ALA 73 far 0 68 0 - 5.1-5.3 QD1 ILE 11 - H GLU 110 far 0 98 0 - 7.8-18.7 HG2 LYS 52 - H ALA 73 far 0 33 0 - 8.4-10.9 QG2 VAL 29 - H GLU 110 far 0 79 0 - 9.3-21.8 QD1 ILE 11 - H ALA 73 far 0 64 0 - 10.0-10.5 QG1 VAL 29 - H GLU 110 far 0 100 0 - 10.0-23.3 Violated in 0 structures by 0.00 A. Peak 7362 from nnoeabs.peaks (0.84, 8.36, 120.67 ppm; 4.01 A): 3 out of 14 assignments used, quality = 0.99: * QD1 LEU 109 + H GLU 110 OK 88 100 90 98 3.8-4.7 3037/7358=72...(6) QD1 LEU 12 + H ALA 73 OK 67 67 100 100 2.8-3.1 8069/3.0=65, 229/2.9=42...(22) QG2 VAL 102 + H ALA 73 OK 64 68 100 95 4.3-4.6 10711/3.0=58...(10) QD2 LEU 17 - H GLU 110 far 15 100 15 - 3.1-16.5 QD1 LEU 17 - H GLU 110 far 10 100 10 - 4.3-16.8 QG2 VAL 25 - H ALA 73 far 0 67 0 - 5.1-5.5 HG LEU 15 - H GLU 110 far 0 100 0 - 5.6-13.8 QG2 ILE 23 - H ALA 73 far 0 34 0 - 5.7-5.9 QG1 VAL 103 - H GLU 110 far 0 77 0 - 6.1-14.7 HB2 LYS 84 - H GLN 89 far 0 52 0 - 6.5-10.4 QD1 LEU 51 - H ALA 73 far 0 61 0 - 6.5-6.8 QG2 ILE 11 - H ALA 73 far 0 65 0 - 7.9-8.0 QD1 ILE 67 - H ALA 73 far 0 32 0 - 8.1-8.2 QG1 VAL 103 - H ALA 73 far 0 45 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 7363 from nnoeabs.peaks (4.13, 8.36, 120.67 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 110 + H GLU 110 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 7364 from nnoeabs.peaks (1.89, 8.36, 120.67 ppm; 3.74 A increased from 3.52 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 110 + H GLU 110 OK 100 100 100 100 2.2-4.0 3.6=100 HB2 GLN 89 + H GLN 89 OK 31 32 100 96 3.1-4.1 4.0=81, 1.8/3508=51...(8) HB3 LEU 12 - H ALA 73 far 0 47 0 - 4.9-5.1 HB2 LEU 17 - H GLU 110 far 0 73 0 - 6.8-21.4 HG3 PRO 35 - H GLU 110 far 0 99 0 - 8.2-19.2 HB VAL 103 - H GLU 110 far 0 91 0 - 9.2-18.8 HB VAL 103 - H ALA 73 far 0 56 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 7365 from nnoeabs.peaks (1.83, 8.36, 120.67 ppm; 3.34 A): 1 out of 7 assignments used, quality = 0.97: * HB3 GLU 110 + H GLU 110 OK 97 100 100 97 2.1-3.5 3057=79, 3074/3071=40...(9) HB2 GLN 89 - H GLN 89 poor 15 34 45 - 3.1-4.1 HB3 LEU 12 - H ALA 73 far 0 40 0 - 4.9-5.1 HB3 GLN 86 - H GLN 89 far 0 52 0 - 5.0-6.5 HB VAL 76 - H ALA 73 far 0 60 0 - 5.3-5.4 HB2 LEU 17 - H GLU 110 far 0 77 0 - 6.8-21.4 HB ILE 67 - H ALA 73 far 0 60 0 - 9.4-9.5 Violated in 1 structures by 0.01 A. Peak 7366 from nnoeabs.peaks (2.17, 8.36, 120.67 ppm; 4.21 A increased from 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 110 + H GLU 110 OK 100 100 100 100 3.7-4.1 3064=96, 1.8/3071=79...(8) HG12 ILE 90 + H GLN 89 OK 24 34 90 80 4.1-4.9 9473/4.4=39, 9486=34...(6) HB2 PRO 35 - H GLU 110 far 0 94 0 - 6.8-17.1 HB3 GLU 94 - H GLN 89 far 0 47 0 - 7.3-8.5 HG2 GLU 94 - H GLN 89 far 0 44 0 - 7.4-9.4 HB VAL 102 - H ALA 73 far 0 52 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 7367 from nnoeabs.peaks (2.09, 8.36, 120.67 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 110 + H GLU 110 OK 100 100 100 100 2.4-4.5 3071=100, 3048/2.9=78...(8) HG2 PRO 35 - H GLU 110 far 0 77 0 - 6.7-18.0 Violated in 1 structures by 0.02 A. Peak 7368 from nnoeabs.peaks (8.13, 8.36, 120.67 ppm; 4.78 A increased from 4.50 A): 3 out of 4 assignments used, quality = 1.00: * H HIS 111 + H GLU 110 OK 100 100 100 100 2.0-4.6 4.6=100 H LEU 109 + H GLU 110 OK 99 99 100 100 2.0-4.6 4.7=100 H LEU 70 + H ALA 73 OK 33 33 100 100 4.7-4.7 3.0/2202=65, 4.6/6972=47...(10) H PHE 79 - H ALA 73 far 0 51 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 7369 from nnoeabs.peaks (8.13, 8.13, 119.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 111 + H HIS 111 OK 100 100 - 100 Peak 7371 from nnoeabs.peaks (4.13, 8.13, 119.55 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 110 + H HIS 111 OK 100 100 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7378 from nnoeabs.peaks (2.95, 8.13, 119.55 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 111 + H HIS 111 OK 100 100 100 100 2.4-3.8 3.9=100 HD2 ARG 44 - H HIS 111 far 0 92 0 - 9.1-26.4 Violated in 0 structures by 0.00 A. Peak 7416 from nnoeabs.peaks (7.87, 7.87, 125.86 ppm; diagonal): 1 out of 1 assignment used, quality = 0.86: H ALA 47 + H ALA 47 OK 86 86 - 100 Peak 7418 from nnoeabs.peaks (4.53, 7.87, 125.86 ppm; 2.79 A): 0 out of 2 assignments used, quality = 0.00: HA ALA 45 - H ALA 47 far 0 84 0 - 5.1-5.4 HA TYR 39 - H ALA 47 far 0 89 0 - 9.4-9.7 Violated in 20 structures by 2.45 A. Peak 7420 from nnoeabs.peaks (2.95, 7.87, 125.86 ppm; 3.07 A): 0 out of 2 assignments used, quality = 0.00: HD2 ARG 44 - H ALA 47 far 0 79 0 - 8.4-10.4 HD3 ARG 44 - H ALA 47 far 0 78 0 - 8.6-10.3 Violated in 20 structures by 5.21 A. Peak 7421 from nnoeabs.peaks (4.34, 7.87, 125.86 ppm; 3.31 A): 0 out of 0 assignments used, quality = 0.00: Peak 7422 from nnoeabs.peaks (3.07, 7.87, 125.86 ppm; 3.73 A): 0 out of 0 assignments used, quality = 0.00: Peak 7423 from nnoeabs.peaks (2.95, 7.87, 125.86 ppm; 3.18 A): 0 out of 2 assignments used, quality = 0.00: HD2 ARG 44 - H ALA 47 far 0 83 0 - 8.4-10.4 HD3 ARG 44 - H ALA 47 far 0 82 0 - 8.6-10.3 Violated in 20 structures by 5.10 A. Peak 7447 from nnoeabs.peaks (7.66, 7.66, 120.53 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H LYS 84 + H LYS 84 OK 100 100 - 100 H GLU 54 + H GLU 54 OK 76 76 - 100 H LEU 51 + H LEU 51 OK 25 25 - 100 Peak 7448 from nnoeabs.peaks (1.35, 7.66, 120.53 ppm; 4.32 A increased from 3.84 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 83 + H LYS 84 OK 98 100 100 98 4.0-4.6 3.0/10558=66, 10592=56...(8) HG3 LYS 84 + H LYS 84 OK 87 87 100 100 1.8-4.6 3.0/3227=69, 5.1=62...(18) HD3 LYS 84 + H LYS 84 OK 55 92 60 100 3.2-5.8 3.8/3227=58, 3.8/9470=46...(19) HG3 LYS 88 - H LYS 84 far 0 77 0 - 5.8-7.0 HD3 LYS 58 - H GLU 54 far 0 86 0 - 6.2-8.1 Violated in 0 structures by 0.00 A. Peak 7449 from nnoeabs.peaks (0.56, 7.66, 120.53 ppm; 4.66 A increased from 4.39 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 83 + H LYS 84 OK 100 100 100 100 4.2-4.7 10579/3.6=87, 4.9=84...(10) QD1 LEU 83 + H LYS 84 OK 59 59 100 100 4.6-5.1 4.9=84, 3.1/10558=73...(7) QD1 ILE 77 - H LEU 51 far 0 38 0 - 6.0-6.2 QD1 ILE 77 - H GLU 54 far 0 73 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 7450 from nnoeabs.peaks (0.60, 7.66, 120.53 ppm; 4.70 A increased from 4.18 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 83 + H LYS 84 OK 100 100 100 100 4.6-5.1 4.9=87, 3.1/10558=73...(7) QD2 LEU 83 + H LYS 84 OK 59 59 100 100 4.2-4.7 4.9=87, 3.1/10558=73...(10) QD1 ILE 77 - H LEU 51 far 0 43 0 - 6.0-6.2 QD2 LEU 12 - H LEU 51 far 0 35 0 - 8.8-9.3 QD1 ILE 77 - H GLU 54 far 0 81 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 7451 from nnoeabs.peaks (3.81, 7.66, 120.53 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 84 + H LYS 84 OK 100 100 100 100 2.8-2.9 2.9=100 HA TRP 80 - H LYS 84 far 0 70 0 - 5.0-5.7 HB2 PHE 79 - H LYS 84 far 0 96 0 - 8.9-9.2 HA ALA 73 - H LEU 51 far 0 48 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 7452 from nnoeabs.peaks (0.84, 7.66, 120.53 ppm; 3.60 A increased from 3.39 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 84 + H LYS 84 OK 99 100 100 99 2.2-3.6 4.0=72, 1.8/3227=63...(18) QD1 LEU 51 + H GLU 54 OK 63 78 85 95 4.0-4.3 1483/1447=43...(13) QD1 LEU 51 + H LEU 51 OK 24 41 60 99 4.2-4.3 1483/2.9=62, 4.6=49...(15) QG2 VAL 25 - H LEU 51 far 0 47 0 - 6.1-6.3 QD1 LEU 12 - H LEU 51 far 0 47 0 - 6.5-6.9 QG2 ILE 23 - H LEU 51 far 0 26 0 - 6.6-6.8 QG2 VAL 25 - H GLU 54 far 0 86 0 - 6.7-7.2 QD1 LEU 12 - H GLU 54 far 0 87 0 - 8.6-9.1 QD1 ILE 67 - H GLU 54 far 0 50 0 - 8.8-9.4 QD1 ILE 67 - H LEU 51 far 0 25 0 - 9.3-9.7 QG2 ILE 23 - H GLU 54 far 0 54 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 7453 from nnoeabs.peaks (1.52, 7.66, 120.53 ppm; 3.20 A): 3 out of 10 assignments used, quality = 0.98: * HB3 LYS 84 + H LYS 84 OK 95 100 100 95 2.6-3.0 3227=52, 1.8/9470=40...(16) HB3 LEU 83 + H LYS 84 OK 46 59 90 85 2.9-4.1 4.2=45, 4.0/10560=29...(9) HB3 LEU 51 + H LEU 51 OK 26 27 100 94 2.2-3.0 4.0=52, 1477/4.6=21...(16) HB3 LEU 51 - H GLU 54 far 0 56 0 - 5.5-5.7 QB ALA 73 - H LEU 51 far 0 47 0 - 6.0-6.2 HD2 LYS 88 - H LYS 84 far 0 100 0 - 6.7-8.4 HD3 LYS 88 - H LYS 84 far 0 100 0 - 7.0-8.6 HB3 LYS 58 - H GLU 54 far 0 54 0 - 8.0-8.9 QB ALA 73 - H GLU 54 far 0 87 0 - 8.7-9.1 HG LEU 12 - H LEU 51 far 0 46 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 7454 from nnoeabs.peaks (1.21, 7.66, 120.53 ppm; 4.13 A increased from 3.88 A): 3 out of 9 assignments used, quality = 1.00: * HG2 LYS 84 + H LYS 84 OK 100 100 100 100 1.8-4.7 3.0/3227=63, 5.1=54...(15) HD2 LYS 84 + H LYS 84 OK 75 100 75 100 3.0-5.8 3.8/3227=53, 3.8/9470=42...(19) HB2 LEU 83 + H LYS 84 OK 73 73 100 100 3.1-4.1 4.2=96, 1.8/10558=76...(8) HD2 LYS 52 - H LEU 51 far 1 24 5 - 4.7-6.6 HG2 LYS 88 - H LYS 84 far 0 99 0 - 5.2-8.1 HG13 ILE 23 - H LEU 51 far 0 38 0 - 5.5-5.9 HD2 LYS 52 - H GLU 54 far 0 49 0 - 6.3-7.7 HG13 ILE 23 - H GLU 54 far 0 73 0 - 9.6-10.0 HB2 LEU 12 - H LEU 51 far 0 36 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 7455 from nnoeabs.peaks (1.38, 7.66, 120.53 ppm; 4.39 A increased from 3.90 A): 5 out of 7 assignments used, quality = 1.00: * HG3 LYS 84 + H LYS 84 OK 100 100 100 100 1.8-4.6 3.0/3227=70, 5.1=65...(18) HG LEU 83 + H LYS 84 OK 85 87 100 98 4.0-4.6 3.0/10558=68, 10592=51...(8) HD3 LYS 84 + H LYS 84 OK 60 100 60 100 3.2-5.8 3.8/3227=60, 3.8/9470=47...(19) HB3 LYS 52 + H LEU 51 OK 29 40 85 86 4.4-5.3 6646/4.6=46, 4.7/6658=27...(9) HB3 LYS 52 + H GLU 54 OK 25 77 40 83 4.7-5.8 4.7/6673=48, 4.0/6654=46...(7) HD3 LYS 58 - H GLU 54 far 0 83 0 - 6.2-8.1 HB2 LYS 88 - H LYS 84 far 0 96 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 7456 from nnoeabs.peaks (1.20, 7.66, 120.53 ppm; 4.23 A): 3 out of 7 assignments used, quality = 1.00: HG2 LYS 84 + H LYS 84 OK 100 100 100 100 1.8-4.7 3.0/3227=66, 5.1=58...(15) * HD2 LYS 84 + H LYS 84 OK 80 100 80 100 3.0-5.8 3.8/3227=56, 3.8/9470=44...(19) HB2 LEU 83 + H LYS 84 OK 63 63 100 100 3.1-4.1 4.2=100 HG2 LYS 88 - H LYS 84 far 0 100 0 - 5.2-8.1 HG13 ILE 23 - H LEU 51 far 0 33 0 - 5.5-5.9 HG13 ILE 23 - H GLU 54 far 0 65 0 - 9.6-10.0 HB2 LEU 12 - H LEU 51 far 0 40 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 7457 from nnoeabs.peaks (1.37, 7.66, 120.53 ppm; 4.39 A increased from 3.90 A): 5 out of 7 assignments used, quality = 1.00: HG3 LYS 84 + H LYS 84 OK 100 100 100 100 1.8-4.6 3.0/3227=70, 5.1=65...(18) HG LEU 83 + H LYS 84 OK 90 92 100 98 4.0-4.6 3.0/10558=68, 10592=54...(8) * HD3 LYS 84 + H LYS 84 OK 60 100 60 100 3.2-5.8 3.8/3227=60, 3.8/9470=47...(19) HB3 LYS 52 + H LEU 51 OK 26 37 85 84 4.4-5.3 6646/4.6=41, 4.7/6658=27...(9) HB3 LYS 52 + H GLU 54 OK 24 72 40 82 4.7-5.8 4.7/6673=48, 4.0/6654=46...(6) HD3 LYS 58 - H GLU 54 far 0 86 0 - 6.2-8.1 HB2 LYS 88 - H LYS 84 far 0 92 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 7460 from nnoeabs.peaks (8.77, 7.66, 120.53 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.93: * H ASN 85 + H LYS 84 OK 93 100 100 93 2.5-2.6 7462=81, 7465/3227=36...(5) H ILE 90 - H LYS 84 far 0 92 0 - 7.3-8.6 H ILE 23 - H LEU 51 far 0 25 0 - 7.4-7.7 H ALA 45 - H LEU 51 far 0 27 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 7461 from nnoeabs.peaks (8.77, 8.77, 119.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 85 + H ASN 85 OK 100 100 - 100 Peak 7462 from nnoeabs.peaks (7.66, 8.77, 119.80 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 84 + H ASN 85 OK 100 100 100 100 2.5-2.6 7460=100, 3227/7465=42...(5) HD21 ASN 20 - H ALA 45 far 0 26 0 - 6.9-10.0 QD PHE 79 - H ASN 85 far 0 81 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 7463 from nnoeabs.peaks (3.81, 8.77, 119.80 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 84 + H ASN 85 OK 100 100 100 100 3.5-3.6 3.6=100 HA TRP 80 - H ASN 85 far 0 69 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 7464 from nnoeabs.peaks (0.84, 8.77, 119.80 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LYS 84 + H ASN 85 OK 99 100 100 99 3.4-3.8 4.7=91, 1.8/7465=84, 4.0/7460=64 QD1 LEU 17 - H ALA 45 far 0 35 0 - 7.2-8.7 QD2 LEU 17 - H ALA 45 far 0 35 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 7465 from nnoeabs.peaks (1.52, 8.77, 119.80 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.97: * HB3 LYS 84 + H ASN 85 OK 97 100 100 97 2.4-2.8 4.7=76, 1.8/7464=70...(4) HB3 LEU 83 - H ASN 85 far 0 59 0 - 5.1-6.0 HD2 LYS 88 - H ASN 85 far 0 100 0 - 7.3-9.1 HD3 LYS 88 - H ASN 85 far 0 100 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 7472 from nnoeabs.peaks (4.36, 8.77, 119.80 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 85 + H ASN 85 OK 100 100 100 100 2.9-2.9 2.9=100 HA ASN 78 - H ASN 85 far 0 90 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 7473 from nnoeabs.peaks (2.90, 8.77, 119.80 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 85 + H ASN 85 OK 100 100 100 100 2.4-3.6 3311=100, 7493/7491=46...(4) HE2 LYS 88 - H ASN 85 far 0 92 0 - 7.7-8.9 HE3 LYS 88 - H ASN 85 far 0 96 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 7474 from nnoeabs.peaks (3.19, 8.77, 119.80 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 85 + H ASN 85 OK 100 100 100 100 2.4-3.6 4.0=100 HB3 TRP 42 - H ALA 45 poor 19 30 65 - 4.2-4.7 HB2 TRP 42 - H ALA 45 poor 17 30 100 56 3.3-4.0 3.0/9240=24...(6) HB3 ASP 46 - H ALA 45 far 0 29 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 7477 from nnoeabs.peaks (7.56, 8.77, 119.80 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 86 + H ASN 85 OK 100 100 100 100 2.3-2.5 7491=100, 7493/3311=40...(7) H LEU 83 - H ASN 85 far 10 65 15 - 4.3-4.6 HD22 ASN 87 - H ASN 85 far 0 98 0 - 7.6-7.9 H GLN 49 - H ALA 45 far 0 33 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 7478 from nnoeabs.peaks (7.21, 7.21, 111.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 85 + HD21 ASN 85 OK 100 100 - 100 Peak 7481 from nnoeabs.peaks (2.90, 7.21, 111.36 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 85 + HD21 ASN 85 OK 100 100 100 100 3.4-4.0 3.5=100 HE2 LYS 88 - HD21 ASN 85 far 0 92 0 - 6.8-11.9 HE3 LYS 88 - HD21 ASN 85 far 0 96 0 - 7.6-12.8 HB3 ASN 78 - HD21 ASN 85 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 7482 from nnoeabs.peaks (3.19, 7.21, 111.36 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HD21 ASN 85 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7483 from nnoeabs.peaks (7.98, 7.21, 111.36 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HD21 ASN 85 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7484 from nnoeabs.peaks (7.98, 7.98, 111.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HD22 ASN 85 OK 100 100 - 100 Peak 7487 from nnoeabs.peaks (2.90, 7.98, 111.36 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 85 + HD22 ASN 85 OK 100 100 100 100 2.1-3.4 3.5=100 HE2 LYS 88 - HD22 ASN 85 far 0 92 0 - 7.9-10.5 HE3 LYS 88 - HD22 ASN 85 far 0 96 0 - 8.6-11.5 HB3 ASN 78 - HD22 ASN 85 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 7488 from nnoeabs.peaks (3.19, 7.98, 111.36 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HD22 ASN 85 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 7489 from nnoeabs.peaks (7.21, 7.98, 111.36 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 85 + HD22 ASN 85 OK 100 100 100 100 1.7-1.7 1.7=100 HZ3 TRP 80 - HD22 ASN 85 far 0 100 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 7490 from nnoeabs.peaks (7.56, 7.56, 116.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 86 + H GLN 86 OK 100 100 - 100 Peak 7491 from nnoeabs.peaks (8.77, 7.56, 116.39 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.99: * H ASN 85 + H GLN 86 OK 99 100 100 99 2.3-2.5 7477=94, 3311/7493=39...(7) H ILE 90 - H GLN 86 far 0 92 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 7492 from nnoeabs.peaks (4.36, 7.56, 116.39 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + H GLN 86 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7493 from nnoeabs.peaks (2.90, 7.56, 116.39 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 85 + H GLN 86 OK 100 100 100 100 2.6-4.2 4.4=92, 1.8/7494=79...(8) HE3 LYS 88 - H GLN 86 far 0 96 0 - 5.9-7.7 HE2 LYS 88 - H GLN 86 far 0 92 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 7494 from nnoeabs.peaks (3.19, 7.56, 116.39 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 85 + H GLN 86 OK 98 100 100 98 3.7-4.2 4.4=86, 1.8/7493=74...(4) Violated in 3 structures by 0.00 A. Peak 7497 from nnoeabs.peaks (4.31, 7.56, 116.39 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 86 + H GLN 86 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASN 87 - H GLN 86 far 0 82 0 - 4.4-4.8 Violated in 0 structures by 0.00 A. Peak 7498 from nnoeabs.peaks (2.27, 7.56, 116.39 ppm; 3.68 A increased from 3.27 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 86 + H GLN 86 OK 100 100 100 100 3.6-3.7 1.8/7499=82, 4.0=79...(16) HG2 GLN 86 + H GLN 86 OK 92 92 100 100 3.1-3.6 3352=91, 1.8/7501=80...(15) HG2 GLN 89 - H GLN 86 far 0 93 0 - 6.4-11.6 HG3 GLN 89 - H GLN 86 far 0 79 0 - 6.4-11.2 Violated in 0 structures by 0.00 A. Peak 7499 from nnoeabs.peaks (1.83, 7.56, 116.39 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLN 86 + H GLN 86 OK 99 100 100 99 2.4-2.6 3343=73, 3.0/7501=51...(15) HB2 GLN 89 - H GLN 86 far 0 82 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 7500 from nnoeabs.peaks (2.29, 7.56, 116.39 ppm; 3.57 A increased from 3.17 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 86 + H GLN 86 OK 100 100 100 100 3.1-3.6 3352=91, 1.8/7501=77...(15) HB2 GLN 86 + H GLN 86 OK 92 92 100 100 3.6-3.7 1.8/7499=79, 4.0=72...(16) HG2 GLN 89 - H GLN 86 far 0 59 0 - 6.4-11.6 Violated in 0 structures by 0.00 A. Peak 7501 from nnoeabs.peaks (2.50, 7.56, 116.39 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 86 + H GLN 86 OK 100 100 100 100 2.2-2.8 3361=79, 1.8/3352=64...(15) HG3 GLN 81 - H GLN 86 far 0 99 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 7503 from nnoeabs.peaks (7.27, 7.56, 116.39 ppm; 5.03 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 86 + H GLN 86 OK 100 100 100 100 4.0-4.4 7519/7501=89...(8) QE PHE 79 - H GLN 86 far 0 70 0 - 7.3-8.3 HZ PHE 79 - H GLN 86 far 0 88 0 - 8.5-9.5 HE3 TRP 80 - H GLN 86 far 0 79 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 7504 from nnoeabs.peaks (8.09, 7.56, 116.39 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + H GLN 86 OK 100 100 100 100 2.1-2.5 7522=100, 7525/7499=30...(9) Violated in 0 structures by 0.00 A. Peak 7505 from nnoeabs.peaks (6.76, 6.76, 112.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 86 + HE21 GLN 86 OK 100 100 - 100 HE21 GLN 89 + HE21 GLN 89 OK 42 42 - 100 Peak 7506 from nnoeabs.peaks (7.56, 6.76, 112.58 ppm; 3.52 A): 0 out of 6 assignments used, quality = 0.00: H GLN 86 - HE21 GLN 89 far 0 55 0 - 4.9-12.3 H LEU 83 - HE21 GLN 86 far 0 65 0 - 5.4-5.7 ! H GLN 86 - HE21 GLN 86 far 0 100 0 - 5.5-5.9 HD22 ASN 87 - HE21 GLN 89 far 0 52 0 - 5.7-11.5 H LEU 83 - HE21 GLN 89 far 0 29 0 - 5.8-12.3 H ALA 95 - HE21 GLN 89 far 0 43 0 - 9.5-14.3 Violated in 20 structures by 1.34 A. Peak 7508 from nnoeabs.peaks (2.27, 6.76, 112.58 ppm; 3.54 A): 4 out of 10 assignments used, quality = 1.00: * HB2 GLN 86 + HE21 GLN 86 OK 98 100 100 98 3.9-4.1 4.6=47, 7516/1.7=37...(15) HG2 GLN 86 + HE21 GLN 86 OK 92 92 100 100 4.1-4.1 3.5=100 HG2 GLN 89 + HE21 GLN 89 OK 46 46 100 100 2.1-3.6 3.5=100 HG3 GLN 89 + HE21 GLN 89 OK 37 37 100 100 2.1-3.6 3.5=100 HB2 GLN 86 - HE21 GLN 89 far 0 55 0 - 6.7-12.0 HG2 GLN 86 - HE21 GLN 89 far 0 45 0 - 7.9-14.3 HG3 GLU 94 - HE21 GLN 89 far 0 51 0 - 8.0-14.2 HB2 GLN 19 - HE21 GLN 89 far 0 55 0 - 9.4-16.5 HG3 GLN 89 - HE21 GLN 86 far 0 79 0 - 9.6-12.7 HG2 GLN 89 - HE21 GLN 86 far 0 93 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 7509 from nnoeabs.peaks (1.83, 6.76, 112.58 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 86 + HE21 GLN 86 OK 100 100 100 100 3.8-4.0 4.6=100 HB2 GLN 89 + HE21 GLN 89 OK 39 39 100 100 2.0-4.5 4.5=100 HB3 GLN 86 - HE21 GLN 89 far 0 55 0 - 5.4-11.5 HB2 LEU 17 - HE21 GLN 89 far 0 39 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Peak 7510 from nnoeabs.peaks (2.29, 6.76, 112.58 ppm; 3.57 A increased from 3.36 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLN 86 + HE21 GLN 86 OK 100 100 100 100 4.1-4.1 3.5=100 HB2 GLN 86 + HE21 GLN 86 OK 90 92 100 98 3.9-4.1 4.6=48, ~7519=36...(15) HG2 GLN 89 + HE21 GLN 89 OK 26 26 100 100 2.1-3.6 3.5=100 HB2 GLN 86 - HE21 GLN 89 far 0 45 0 - 6.7-12.0 HG2 GLN 86 - HE21 GLN 89 far 0 55 0 - 7.9-14.3 HG3 GLU 94 - HE21 GLN 89 far 0 33 0 - 8.0-14.2 HB2 GLN 19 - HE21 GLN 89 far 0 43 0 - 9.4-16.5 HG2 GLN 89 - HE21 GLN 86 far 0 59 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 7511 from nnoeabs.peaks (2.50, 6.76, 112.58 ppm; 3.65 A increased from 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 86 + HE21 GLN 86 OK 100 100 100 100 3.5-3.6 3.5=100 HG3 GLN 86 - HE21 GLN 89 far 0 55 0 - 6.9-13.7 HG3 GLN 81 - HE21 GLN 86 far 0 99 0 - 8.3-11.7 HG3 GLN 81 - HE21 GLN 89 far 0 53 0 - 8.6-17.8 Violated in 0 structures by 0.00 A. Peak 7512 from nnoeabs.peaks (7.27, 6.76, 112.58 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HE22 GLN 86 + HE21 GLN 86 OK 100 100 100 100 1.7-1.7 1.7=100 QE PHE 79 - HE21 GLN 86 far 7 70 10 - 2.7-4.2 HZ PHE 79 - HE21 GLN 86 far 0 88 0 - 4.2-6.1 HE22 GLN 86 - HE21 GLN 89 far 0 55 0 - 7.2-13.2 QE PHE 79 - HE21 GLN 89 far 0 31 0 - 8.7-12.1 HZ PHE 79 - HE21 GLN 89 far 0 43 0 - 8.9-12.6 H ASN 20 - HE21 GLN 89 far 0 26 0 - 8.9-15.8 HE3 TRP 80 - HE21 GLN 89 far 0 37 0 - 9.4-16.8 QD PHE 99 - HE21 GLN 86 far 0 79 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 7513 from nnoeabs.peaks (7.27, 7.27, 112.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 86 + HE22 GLN 86 OK 100 100 - 100 Peak 7515 from nnoeabs.peaks (4.31, 7.27, 112.58 ppm; 5.22 A increased from 4.91 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 86 + HE22 GLN 86 OK 100 100 100 100 4.9-5.1 3362/7519=93...(10) HA ASN 87 - HE22 GLN 86 far 0 82 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 7516 from nnoeabs.peaks (2.27, 7.27, 112.58 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 86 + HE22 GLN 86 OK 98 100 100 98 3.2-3.6 3.0/7519=63, 4.6=50...(12) HG2 GLN 86 + HE22 GLN 86 OK 92 92 100 100 3.5-3.5 3.5=100 HG3 GLN 89 - HE22 GLN 86 far 0 79 0 - 8.2-11.8 HG2 GLN 89 - HE22 GLN 86 far 0 93 0 - 8.2-12.1 Violated in 0 structures by 0.00 A. Peak 7517 from nnoeabs.peaks (1.83, 7.27, 112.58 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 86 + HE22 GLN 86 OK 100 100 100 100 2.4-2.8 4.6=100 Violated in 0 structures by 0.00 A. Peak 7518 from nnoeabs.peaks (2.29, 7.27, 112.58 ppm; 3.57 A increased from 3.36 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 86 + HE22 GLN 86 OK 100 100 100 100 3.5-3.5 3.5=100 HB2 GLN 86 + HE22 GLN 86 OK 89 92 100 97 3.2-3.6 3.0/7519=61, 4.6=48...(12) HG2 GLN 89 - HE22 GLN 86 far 0 59 0 - 8.2-12.1 Violated in 0 structures by 0.00 A. Peak 7519 from nnoeabs.peaks (2.50, 7.27, 112.58 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.95: * HG3 GLN 86 + HE22 GLN 86 OK 95 100 100 95 2.3-2.5 3368=79, 7501/7503=24...(11) HG3 GLN 81 - HE22 GLN 86 far 0 99 0 - 7.3-10.6 Violated in 0 structures by 0.00 A. Peak 7520 from nnoeabs.peaks (6.76, 7.27, 112.58 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 86 + HE22 GLN 86 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 89 - HE22 GLN 86 far 0 87 0 - 7.2-13.2 Violated in 0 structures by 0.00 A. Peak 7521 from nnoeabs.peaks (8.09, 8.09, 117.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + H ASN 87 OK 100 100 - 100 Peak 7522 from nnoeabs.peaks (7.56, 8.09, 117.37 ppm; 3.15 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 86 + H ASN 87 OK 100 100 100 100 2.1-2.5 7504=100, 7499/7525=29...(9) HD22 ASN 87 - H ASN 87 far 0 99 0 - 4.5-4.7 H LEU 83 - H ASN 87 far 0 65 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. Peak 7523 from nnoeabs.peaks (4.31, 8.09, 117.37 ppm; 2.81 A): 2 out of 2 assignments used, quality = 0.98: * HA GLN 86 + H ASN 87 OK 89 100 100 89 3.2-3.4 3.6=49, 3.0/7522=40...(7) HA ASN 87 + H ASN 87 OK 81 82 100 99 2.3-2.3 2.9=88, 3.0/3377=38...(12) Violated in 0 structures by 0.00 A. Peak 7524 from nnoeabs.peaks (2.27, 8.09, 117.37 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 86 + H ASN 87 OK 100 100 100 100 4.1-4.4 3342=96, 1.8/7525=77...(7) HG2 GLN 89 - H ASN 87 far 5 93 5 - 4.7-10.2 HG3 GLN 89 - H ASN 87 lone 1 79 40 4 4.6-9.7 1.8/3360=3 HG2 GLN 86 - H ASN 87 far 0 92 0 - 5.0-5.0 Violated in 4 structures by 0.00 A. Peak 7525 from nnoeabs.peaks (1.83, 8.09, 117.37 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 86 + H ASN 87 OK 100 100 100 100 3.3-3.6 4.6=82, 7499/7522=77...(8) HB2 GLN 89 - H ASN 87 far 0 82 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 7526 from nnoeabs.peaks (2.29, 8.09, 117.37 ppm; 4.55 A increased from 4.28 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 86 + H ASN 87 OK 100 100 100 100 5.0-5.0 4.9=81, 3352/7522=76...(7) HB2 GLN 86 + H ASN 87 OK 92 92 100 100 4.1-4.4 4.6=94, 1.8/7525=83...(7) HG2 GLN 89 - H ASN 87 far 3 59 5 - 4.7-10.2 Violated in 0 structures by 0.00 A. Peak 7527 from nnoeabs.peaks (2.50, 8.09, 117.37 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 86 + H ASN 87 OK 100 100 100 100 4.5-4.7 4.9=100 HG3 GLN 81 - H ASN 87 far 0 99 0 - 8.1-10.8 Violated in 0 structures by 0.00 A. Peak 7530 from nnoeabs.peaks (4.28, 8.09, 117.37 ppm; 2.67 A): 1 out of 2 assignments used, quality = 0.99: * HA ASN 87 + H ASN 87 OK 99 100 100 99 2.3-2.3 3370=91, 3376/7549=36...(12) HA GLN 86 - H ASN 87 far 8 82 10 - 3.2-3.4 Violated in 0 structures by 0.00 A. Peak 7531 from nnoeabs.peaks (2.69, 8.09, 117.37 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 87 + H ASN 87 OK 100 100 100 100 3.2-3.3 3377=100, 3378/7530=66...(6) HB2 ASP 82 - H ASN 87 far 0 98 0 - 6.8-7.1 HE2 LYS 84 - H ASN 87 far 0 100 0 - 6.9-8.8 Violated in 0 structures by 0.00 A. Peak 7532 from nnoeabs.peaks (3.11, 8.09, 117.37 ppm; 4.27 A increased from 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 87 + H ASN 87 OK 100 100 100 100 4.1-4.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 7535 from nnoeabs.peaks (8.04, 8.09, 117.37 ppm; 2.81 A increased from 2.65 A): 1 out of 1 assignment used, quality = 0.85: * H LYS 88 + H ASN 87 OK 85 100 100 85 2.6-2.7 3376/7530=42...(9) Violated in 0 structures by 0.00 A. Peak 7536 from nnoeabs.peaks (6.82, 6.82, 112.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 87 + HD21 ASN 87 OK 100 100 - 100 Peak 7537 from nnoeabs.peaks (8.09, 6.82, 112.57 ppm; 5.25 A increased from 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + HD21 ASN 87 OK 100 100 100 100 5.1-5.1 7543/1.7=93...(6) Violated in 0 structures by 0.00 A. Peak 7538 from nnoeabs.peaks (4.28, 6.82, 112.57 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 87 + HD21 ASN 87 OK 100 100 100 100 4.3-4.4 4.4=100 HA GLN 86 - HD21 ASN 87 far 0 82 0 - 6.3-6.4 Violated in 0 structures by 0.00 A. Peak 7539 from nnoeabs.peaks (2.69, 6.82, 112.57 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 87 + HD21 ASN 87 OK 100 100 100 100 3.4-3.5 3.5=95, 7545/1.7=79...(7) HE2 LYS 84 - HD21 ASN 87 far 0 100 0 - 9.4-11.8 Violated in 1 structures by 0.00 A. Peak 7540 from nnoeabs.peaks (3.11, 6.82, 112.57 ppm; 3.87 A increased from 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 87 + HD21 ASN 87 OK 100 100 100 100 3.8-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 7541 from nnoeabs.peaks (7.55, 6.82, 112.57 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 87 + HD21 ASN 87 OK 100 100 100 100 1.7-1.7 1.7=100 H GLN 86 - HD21 ASN 87 far 0 99 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 7542 from nnoeabs.peaks (7.55, 7.55, 112.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 87 + HD22 ASN 87 OK 100 100 - 100 Peak 7543 from nnoeabs.peaks (8.09, 7.55, 112.57 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + HD22 ASN 87 OK 100 100 100 100 4.5-4.7 3377/7545=85...(5) Violated in 0 structures by 0.00 A. Peak 7544 from nnoeabs.peaks (4.28, 7.55, 112.57 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 87 + HD22 ASN 87 OK 100 100 100 100 4.1-4.2 4.4=91, 3385/7546=81...(6) HA GLN 86 - HD22 ASN 87 far 0 82 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 7545 from nnoeabs.peaks (2.69, 7.55, 112.57 ppm; 3.23 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASN 87 + HD22 ASN 87 OK 99 100 100 99 2.1-2.2 3382=86, 1.8/7546=70...(5) Violated in 0 structures by 0.00 A. Peak 7546 from nnoeabs.peaks (3.11, 7.55, 112.57 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 87 + HD22 ASN 87 OK 98 100 100 98 3.0-3.1 3.5=77, 1.8/7545=70...(5) Violated in 0 structures by 0.00 A. Peak 7547 from nnoeabs.peaks (6.82, 7.55, 112.57 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 87 + HD22 ASN 87 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7548 from nnoeabs.peaks (8.04, 8.04, 118.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + H LYS 88 OK 100 100 - 100 Peak 7549 from nnoeabs.peaks (8.09, 8.04, 118.59 ppm; 2.76 A increased from 2.60 A): 1 out of 1 assignment used, quality = 0.84: * H ASN 87 + H LYS 88 OK 84 100 100 84 2.6-2.7 7530/3376=40...(9) Violated in 0 structures by 0.00 A. Peak 7550 from nnoeabs.peaks (4.28, 8.04, 118.59 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 87 + H LYS 88 OK 100 100 100 100 3.0-3.1 3376=100, 7530/7549=65...(7) HA GLN 86 - H LYS 88 far 0 82 0 - 4.2-4.3 Violated in 0 structures by 0.00 A. Peak 7551 from nnoeabs.peaks (2.69, 8.04, 118.59 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 87 + H LYS 88 OK 100 100 100 100 4.0-4.1 4.3=100 HB2 ASP 82 - H LYS 88 far 0 98 0 - 6.3-6.7 HE2 LYS 84 - H LYS 88 far 0 100 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 7552 from nnoeabs.peaks (3.11, 8.04, 118.59 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 87 + H LYS 88 OK 100 100 100 100 4.1-4.2 4.3=100 Violated in 0 structures by 0.00 A. Peak 7555 from nnoeabs.peaks (4.50, 8.04, 118.59 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 88 + H LYS 88 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLN 89 - H LYS 88 far 0 100 0 - 5.1-5.6 Violated in 0 structures by 0.00 A. Peak 7556 from nnoeabs.peaks (1.39, 8.04, 118.59 ppm; 3.72 A increased from 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 88 + H LYS 88 OK 100 100 100 100 3.5-3.6 3402=92, 1.8/3413=78...(17) HD3 LYS 84 - H LYS 88 far 0 92 0 - 6.3-9.5 HG3 LYS 84 - H LYS 88 far 0 96 0 - 6.5-8.4 Violated in 0 structures by 0.00 A. Peak 7557 from nnoeabs.peaks (1.69, 8.04, 118.59 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 88 + H LYS 88 OK 100 100 100 100 2.2-2.7 3413=100, 1.8/7556=74...(20) Violated in 0 structures by 0.00 A. Peak 7558 from nnoeabs.peaks (1.20, 8.04, 118.59 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 88 + H LYS 88 OK 100 100 100 100 2.2-3.9 3424=98, 1.8/7559=85...(21) HD2 LYS 84 - H LYS 88 far 0 100 0 - 6.1-9.5 HG2 LYS 84 - H LYS 88 far 0 99 0 - 6.6-8.5 Violated in 0 structures by 0.00 A. Peak 7559 from nnoeabs.peaks (1.32, 8.04, 118.59 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 88 + H LYS 88 OK 100 100 100 100 2.5-3.3 3435=82, 1.8/7558=64...(23) HG LEU 83 - H LYS 88 far 0 77 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 7560 from nnoeabs.peaks (1.52, 8.04, 118.59 ppm; 4.66 A): 3 out of 4 assignments used, quality = 1.00: HD3 LYS 88 + H LYS 88 OK 100 100 100 100 4.2-5.3 3.0/7559=81, 3.0/7558=75...(25) * HD2 LYS 88 + H LYS 88 OK 100 100 100 100 4.4-4.6 3.0/7559=81, 3.0/7558=75...(25) HB3 LEU 83 + H LYS 88 OK 64 65 100 98 3.4-5.0 3.1/10594=73...(8) HB3 LYS 84 - H LYS 88 far 0 100 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 7561 from nnoeabs.peaks (1.52, 8.04, 118.59 ppm; 4.66 A): 3 out of 4 assignments used, quality = 1.00: * HD3 LYS 88 + H LYS 88 OK 100 100 100 100 4.2-5.3 3.0/7559=81, 3.0/7558=75...(25) HD2 LYS 88 + H LYS 88 OK 100 100 100 100 4.4-4.6 3.0/7559=81, 3.0/7558=75...(25) HB3 LEU 83 + H LYS 88 OK 64 65 100 98 3.4-5.0 3.1/10594=73...(8) HB3 LYS 84 - H LYS 88 far 0 100 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 7564 from nnoeabs.peaks (8.32, 8.04, 118.59 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + H LYS 88 OK 100 100 100 100 2.8-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 7565 from nnoeabs.peaks (8.32, 8.32, 121.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLN 89 + H GLN 89 OK 100 100 - 100 H GLU 110 + H GLU 110 OK 32 32 - 100 Peak 7566 from nnoeabs.peaks (8.04, 8.32, 121.01 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + H GLN 89 OK 100 100 100 100 2.8-4.6 4.6=100 Violated in 1 structures by 0.00 A. Peak 7567 from nnoeabs.peaks (4.50, 8.32, 121.01 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: HA GLN 89 + H GLN 89 OK 100 100 100 100 2.3-2.9 2.9=100 * HA LYS 88 + H GLN 89 OK 93 100 100 93 2.3-3.6 3.6=66, 3.0/7569=35...(11) HA SER 107 - H GLU 110 far 0 46 0 - 4.1-10.1 HA TYR 39 - H GLU 110 far 0 38 0 - 7.3-16.1 HA GLN 19 - H GLN 89 far 0 100 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 7568 from nnoeabs.peaks (1.39, 8.32, 121.01 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 88 + H GLN 89 OK 100 100 100 100 2.1-3.5 4.4=100 HG LEU 17 - H GLU 110 far 3 51 5 - 4.6-18.5 HD3 LYS 84 - H GLN 89 far 0 92 0 - 5.2-12.6 HG3 LYS 84 - H GLN 89 far 0 96 0 - 5.4-11.2 Violated in 0 structures by 0.00 A. Peak 7569 from nnoeabs.peaks (1.69, 8.32, 121.01 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 88 + H GLN 89 OK 100 100 100 100 1.9-4.1 3423=96, 3.0/7570=50...(11) Violated in 4 structures by 0.01 A. Peak 7570 from nnoeabs.peaks (1.20, 8.32, 121.01 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 88 + H GLN 89 OK 100 100 100 100 3.5-4.6 3434=97, 3.0/7569=75...(9) HD2 LYS 84 - H GLN 89 far 0 100 0 - 5.4-12.8 HG2 LYS 84 - H GLN 89 far 0 99 0 - 5.7-11.3 HB3 LEU 15 - H GLU 110 far 0 36 0 - 6.3-16.6 Violated in 0 structures by 0.00 A. Peak 7571 from nnoeabs.peaks (1.32, 8.32, 121.01 ppm; 4.94 A increased from 4.65 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 88 + H GLN 89 OK 100 100 100 100 4.2-5.0 3445=100, 1.8/7570=87...(8) HG LEU 83 + H GLN 89 OK 34 77 65 68 4.8-7.4 ~10582=48, ~10581=22...(4) HB2 LYS 13 - H GLU 110 far 0 48 0 - 8.3-16.3 QB ALA 93 - H GLN 89 far 0 99 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 7572 from nnoeabs.peaks (1.52, 8.32, 121.01 ppm; 4.14 A): 4 out of 6 assignments used, quality = 0.87: HD3 LYS 88 + H GLN 89 OK 58 100 60 97 4.3-5.8 3.7/7569=53, 3.0/7570=53...(8) HG LEU 109 + H GLU 110 OK 41 48 95 90 4.0-5.6 3.7/3002=47, 3021/4.2=41...(7) HB3 LEU 109 + H GLU 110 OK 30 30 100 99 2.0-4.3 4.2=95, 2999/3.6=71...(8) HB3 LEU 83 + H GLN 89 OK 26 65 65 60 1.9-6.6 ~10582=26, 11175/7569=24...(5) ! HD2 LYS 88 - H GLN 89 far 15 100 15 - 3.3-5.8 HB3 LYS 84 - H GLN 89 far 0 100 0 - 7.0-10.9 Violated in 0 structures by 0.00 A. Peak 7573 from nnoeabs.peaks (1.52, 8.32, 121.01 ppm; 4.14 A): 4 out of 6 assignments used, quality = 0.87: * HD3 LYS 88 + H GLN 89 OK 58 100 60 97 4.3-5.8 3.7/7569=53, 3.0/7570=53...(8) HG LEU 109 + H GLU 110 OK 41 48 95 90 4.0-5.6 3.7/3002=47, 3021/4.2=41...(7) HB3 LEU 109 + H GLU 110 OK 30 30 100 99 2.0-4.3 4.2=95, 2999/3.6=71...(8) HB3 LEU 83 + H GLN 89 OK 26 65 65 60 1.9-6.6 ~10582=26, 11175/7569=24...(5) HD2 LYS 88 - H GLN 89 far 15 100 15 - 3.3-5.8 HB3 LYS 84 - H GLN 89 far 0 100 0 - 7.0-10.9 Violated in 0 structures by 0.00 A. Peak 7576 from nnoeabs.peaks (4.50, 8.32, 121.01 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 89 + H GLN 89 OK 100 100 100 100 2.3-2.9 2.9=100 HA LYS 88 + H GLN 89 OK 93 100 100 93 2.3-3.6 3.6=66, 3.0/7569=35...(11) HA SER 107 - H GLU 110 far 0 42 0 - 4.1-10.1 HA TYR 39 - H GLU 110 far 0 42 0 - 7.3-16.1 HA GLN 19 - H GLN 89 far 0 100 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 7577 from nnoeabs.peaks (1.86, 8.32, 121.01 ppm; 3.56 A): 3 out of 6 assignments used, quality = 0.98: * HB2 GLN 89 + H GLN 89 OK 96 100 100 96 3.1-4.1 4.0=70, 1.8/7578=63...(8) HB3 GLU 110 + H GLU 110 OK 34 34 100 99 2.1-3.5 3.6=93, 3.0/3071=33...(9) HB2 GLU 110 + H GLU 110 OK 32 32 100 100 2.2-4.0 3.6=93, 1.8/3057=52...(9) HB3 GLN 86 - H GLN 89 far 0 82 0 - 5.0-6.5 HB2 LEU 17 - H GLU 110 far 0 52 0 - 6.8-21.4 HB VAL 103 - H GLU 110 far 0 49 0 - 9.2-18.8 Violated in 0 structures by 0.00 A. Peak 7578 from nnoeabs.peaks (1.95, 8.32, 121.01 ppm; 3.90 A increased from 3.67 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 89 + H GLN 89 OK 100 100 100 100 2.9-3.7 3508=99, 1.8/7577=50...(9) HG13 ILE 90 - H GLN 89 far 5 100 5 - 4.5-6.4 HB ILE 90 - H GLN 89 far 0 71 0 - 5.1-6.5 HB2 GLU 94 - H GLN 89 far 0 84 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 7579 from nnoeabs.peaks (2.25, 8.32, 121.01 ppm; 3.87 A): 2 out of 6 assignments used, quality = 0.99: * HG2 GLN 89 + H GLN 89 OK 93 100 95 98 2.9-4.7 3.0/7578=57, 4.9=48...(14) HG3 GLN 89 + H GLN 89 OK 87 99 90 98 2.4-4.7 3.0/7578=57, 4.9=48...(13) HB2 GLN 86 - H GLN 89 far 0 93 0 - 6.0-7.1 HG2 GLN 86 - H GLN 89 far 0 59 0 - 7.9-9.4 HB2 ASN 20 - H GLU 110 far 0 28 0 - 8.3-23.1 HG3 GLU 94 - H GLN 89 far 0 100 0 - 8.6-10.4 Violated in 1 structures by 0.01 A. Peak 7580 from nnoeabs.peaks (2.24, 8.32, 121.01 ppm; 3.83 A): 2 out of 5 assignments used, quality = 0.99: HG2 GLN 89 + H GLN 89 OK 92 99 95 98 2.9-4.7 3.0/7578=56, 4.9=46...(13) * HG3 GLN 89 + H GLN 89 OK 88 100 90 98 2.4-4.7 3.0/7578=56, 4.9=46...(13) HB2 GLN 86 - H GLN 89 far 0 79 0 - 6.0-7.1 HB2 ASN 20 - H GLU 110 far 0 38 0 - 8.3-23.1 HG3 GLU 94 - H GLN 89 far 0 95 0 - 8.6-10.4 Violated in 1 structures by 0.02 A. Peak 7583 from nnoeabs.peaks (8.79, 8.32, 121.01 ppm; 5.51 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 90 + H GLN 89 OK 100 100 100 100 1.9-3.0 4.6=100 H ASN 85 - H GLN 89 far 0 91 0 - 6.4-9.8 H ILE 23 - H GLU 110 far 0 46 0 - 10.0-19.7 Violated in 0 structures by 0.00 A. Peak 7584 from nnoeabs.peaks (6.74, 6.74, 112.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 89 + HE21 GLN 89 OK 100 100 - 100 HE21 GLN 86 + HE21 GLN 86 OK 42 42 - 100 Peak 7586 from nnoeabs.peaks (4.50, 6.74, 112.17 ppm; 5.40 A): 2 out of 5 assignments used, quality = 0.98: * HA GLN 89 + HE21 GLN 89 OK 98 100 100 98 3.4-5.8 5.9=77, 3495/3.5=45...(7) HA LYS 88 + HE21 GLN 89 OK 36 100 70 52 4.3-7.1 7576/6.9=21, ~10079=11...(6) HA LYS 88 - HE21 GLN 86 far 0 54 0 - 6.9-7.4 HA GLN 19 - HE21 GLN 89 far 0 100 0 - 7.2-14.1 HA GLN 89 - HE21 GLN 86 far 0 55 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 7589 from nnoeabs.peaks (2.25, 6.74, 112.17 ppm; 4.22 A): 4 out of 10 assignments used, quality = 1.00: * HG2 GLN 89 + HE21 GLN 89 OK 100 100 100 100 2.1-3.6 3.5=100 HG3 GLN 89 + HE21 GLN 89 OK 99 99 100 100 2.1-3.6 3.5=100 HB2 GLN 86 + HE21 GLN 86 OK 46 46 100 100 3.9-4.1 4.6=79, ~7519=51...(15) HG2 GLN 86 + HE21 GLN 86 OK 26 26 100 100 4.1-4.1 3.5=100 HB2 GLN 86 - HE21 GLN 89 far 0 93 0 - 6.7-12.0 HG2 GLN 86 - HE21 GLN 89 far 0 59 0 - 7.9-14.3 HG3 GLU 94 - HE21 GLN 89 far 0 100 0 - 8.0-14.2 HB2 GLN 19 - HE21 GLN 89 far 0 96 0 - 9.4-16.5 HG3 GLN 89 - HE21 GLN 86 far 0 52 0 - 9.6-12.7 HG2 GLN 89 - HE21 GLN 86 far 0 55 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 7590 from nnoeabs.peaks (2.24, 6.74, 112.17 ppm; 3.99 A): 3 out of 8 assignments used, quality = 1.00: * HG3 GLN 89 + HE21 GLN 89 OK 100 100 100 100 2.1-3.6 3.5=100 HG2 GLN 89 + HE21 GLN 89 OK 99 99 100 100 2.1-3.6 3.5=100 HB2 GLN 86 + HE21 GLN 86 OK 36 37 100 98 3.9-4.1 4.6=67, ~7519=45...(14) HB2 GLN 86 - HE21 GLN 89 far 0 79 0 - 6.7-12.0 HG3 GLU 94 - HE21 GLN 89 far 0 95 0 - 8.0-14.2 HB2 GLN 19 - HE21 GLN 89 far 0 84 0 - 9.4-16.5 HG3 GLN 89 - HE21 GLN 86 far 0 55 0 - 9.6-12.7 HG2 GLN 89 - HE21 GLN 86 far 0 52 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 7591 from nnoeabs.peaks (7.43, 6.74, 112.17 ppm; 2.51 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 89 + HE21 GLN 89 OK 100 100 100 100 1.7-1.7 1.7=100 HZ2 TRP 16 - HE21 GLN 89 far 0 59 0 - 7.7-11.5 HZ2 TRP 16 - HE21 GLN 86 far 0 26 0 - 8.5-9.4 HE22 GLN 89 - HE21 GLN 86 far 0 55 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 7592 from nnoeabs.peaks (7.43, 7.43, 112.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 89 + HE22 GLN 89 OK 100 100 - 100 Peak 7597 from nnoeabs.peaks (2.25, 7.43, 112.17 ppm; 4.10 A increased from 3.86 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 89 + HE22 GLN 89 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 89 + HE22 GLN 89 OK 99 99 100 100 3.4-4.1 3.5=100 HB2 GLN 86 - HE22 GLN 89 far 0 93 0 - 8.0-13.1 HG2 GLN 86 - HE22 GLN 89 far 0 59 0 - 8.8-15.4 HG3 GLU 94 - HE22 GLN 89 far 0 100 0 - 8.9-15.0 HB2 GLN 19 - HE22 GLN 89 far 0 96 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 7598 from nnoeabs.peaks (2.24, 7.43, 112.17 ppm; 4.03 A increased from 3.58 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 89 + HE22 GLN 89 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLN 89 + HE22 GLN 89 OK 99 99 100 100 3.4-4.1 3.5=100 HB2 GLN 86 - HE22 GLN 89 far 0 79 0 - 8.0-13.1 HG3 GLU 94 - HE22 GLN 89 far 0 95 0 - 8.9-15.0 HB2 GLN 19 - HE22 GLN 89 far 0 84 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 7599 from nnoeabs.peaks (6.74, 7.43, 112.17 ppm; 2.53 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 89 + HE22 GLN 89 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 86 - HE22 GLN 89 far 0 87 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 7600 from nnoeabs.peaks (8.79, 8.79, 119.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 90 + H ILE 90 OK 100 100 - 100 Peak 7602 from nnoeabs.peaks (4.50, 8.79, 119.01 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 89 + H ILE 90 OK 100 100 100 100 2.8-3.1 3.6=100 HA LYS 88 + H ILE 90 OK 69 100 100 69 3.9-4.3 3.0/10823=43...(4) Violated in 0 structures by 0.00 A. Peak 7604 from nnoeabs.peaks (1.95, 8.79, 119.01 ppm; 4.28 A): 3 out of 4 assignments used, quality = 1.00: HG13 ILE 90 + H ILE 90 OK 98 100 100 98 2.5-3.7 4.7=78, 2.1/3570=62...(7) * HB3 GLN 89 + H ILE 90 OK 89 100 100 89 4.0-4.6 4.7=78, 7578/4.6=47, 3540/3.0=8 HB ILE 90 + H ILE 90 OK 71 71 100 100 3.6-3.6 4.0=100 HB2 GLU 94 - H ILE 90 far 0 84 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. Peak 7609 from nnoeabs.peaks (4.68, 8.79, 119.01 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 90 + H ILE 90 OK 100 100 100 100 2.7-2.8 3.0=100 HA TRP 16 - H ILE 90 far 0 79 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 7610 from nnoeabs.peaks (1.99, 8.79, 119.01 ppm; 4.14 A): 3 out of 4 assignments used, quality = 1.00: * HB ILE 90 + H ILE 90 OK 100 100 100 100 3.6-3.6 4.0=100 HG13 ILE 90 + H ILE 90 OK 69 71 100 97 2.5-3.7 4.7=70, 2.1/3570=58...(7) HB3 GLN 89 + H ILE 90 OK 58 71 100 81 4.0-4.6 4.7=71, 3508/4.6=32, 3540/3.0=5 HB2 GLU 94 - H ILE 90 far 0 100 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. Peak 7611 from nnoeabs.peaks (0.78, 8.79, 119.01 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 90 + H ILE 90 OK 100 100 100 100 2.0-2.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 7612 from nnoeabs.peaks (2.13, 8.79, 119.01 ppm; 5.19 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 90 + H ILE 90 OK 100 100 100 100 2.1-3.1 4.7=100 HB3 GLU 94 + H ILE 90 OK 62 96 85 75 5.4-6.2 2568/3570=31...(6) HG2 GLU 94 - H ILE 90 far 0 99 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 7613 from nnoeabs.peaks (1.95, 8.79, 119.01 ppm; 4.28 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 90 + H ILE 90 OK 98 100 100 98 2.5-3.7 4.7=78, 2.1/3570=62...(7) HB3 GLN 89 + H ILE 90 OK 89 100 100 89 4.0-4.6 4.7=78, 7578/4.6=47, 3540/3.0=8 HB ILE 90 + H ILE 90 OK 71 71 100 100 3.6-3.6 4.0=100 HB2 GLU 94 - H ILE 90 far 0 84 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. Peak 7880 from nnoeabs.peaks (7.26, 7.26, 115.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 99 + H PHE 99 OK 100 100 - 100 Peak 7881 from nnoeabs.peaks (7.11, 7.26, 115.86 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + H PHE 99 OK 100 100 100 100 2.0-2.7 10142=100, 7248/4.2=54...(8) Violated in 0 structures by 0.00 A. Peak 7882 from nnoeabs.peaks (3.81, 7.26, 115.86 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 98 + H PHE 99 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 PHE 79 - H PHE 99 far 0 90 0 - 7.6-8.5 HA ALA 73 - H PHE 99 far 0 100 0 - 9.5-10.4 HB3 TRP 16 - H PHE 99 far 0 71 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 7883 from nnoeabs.peaks (1.15, 7.26, 115.86 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 98 + H PHE 99 OK 100 100 100 100 3.3-3.8 4.2=100 HD3 LYS 98 + H PHE 99 OK 62 71 90 96 3.7-5.8 2747/3.6=53, ~10160=44...(9) HB VAL 14 - H PHE 99 far 0 87 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 7884 from nnoeabs.peaks (1.31, 7.26, 115.86 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 98 + H PHE 99 OK 100 100 100 100 2.4-2.9 4.2=100 QB ALA 93 - H PHE 99 far 0 100 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 7891 from nnoeabs.peaks (5.11, 7.26, 115.86 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 99 + H PHE 99 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7893 from nnoeabs.peaks (3.12, 7.26, 115.86 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 99 + H PHE 99 OK 100 100 100 100 3.7-3.8 3.3=100 Violated in 0 structures by 0.00 A. Peak 8034 from nnoeabs.peaks (0.78, 8.51, 118.95 ppm; 4.20 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 28 + H SER 9 OK 99 100 100 99 2.7-2.9 2.1/8035=48, 759=47...(11) HB3 LEU 55 + H GLU 56 OK 53 54 100 98 3.7-3.9 4.6=75, 6704/4.6=46...(14) HG2 LYS 52 - H GLU 56 far 0 52 0 - 5.5-6.6 QD1 ILE 11 - H SER 9 far 0 98 0 - 5.5-6.5 QG1 VAL 29 - H SER 9 far 0 82 0 - 5.6-5.7 QD2 LEU 36 - H GLU 56 far 0 53 0 - 6.0-6.3 QG2 VAL 69 - H GLU 56 far 0 56 0 - 6.4-6.6 QD1 ILE 67 - H GLU 56 far 0 45 0 - 6.7-7.2 QD2 LEU 36 - H SER 9 far 0 99 0 - 6.9-7.1 QD1 ILE 23 - H GLU 56 far 0 42 0 - 9.3-9.6 QG2 VAL 69 - H SER 9 far 0 100 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 8035 from nnoeabs.peaks (1.62, 8.51, 118.95 ppm; 3.97 A): 2 out of 8 assignments used, quality = 1.00: HB ILE 28 + H SER 9 OK 99 100 100 99 2.3-2.5 8704/2.9=66...(11) HB2 LEU 55 + H GLU 56 OK 44 47 100 94 2.5-2.6 4.6=63, 6703/4.6=37...(14) HB2 ARG 66 - H GLU 56 poor 17 31 65 85 4.2-4.8 ~9525=23, ~9526=22...(15) HD2 LYS 58 - H GLU 56 far 0 56 0 - 5.1-6.6 HG13 ILE 67 - H GLU 56 far 0 41 0 - 9.0-10.1 HB2 LEU 70 - H GLU 56 far 0 49 0 - 9.1-9.4 HB ILE 11 - H SER 9 far 0 100 0 - 9.1-9.4 HB2 GLN 50 - H GLU 56 far 0 56 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 8042 from nnoeabs.peaks (1.09, 8.17, 119.03 ppm; 4.40 A increased from 3.52 A): 1 out of 2 assignments used, quality = 0.61: HG12 ILE 11 + H PHE 10 OK 61 61 100 99 3.8-4.3 3.2/8737=47, 3.8/8725=46...(13) QG2 THR 8 - H PHE 10 far 0 100 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 8043 from nnoeabs.peaks (0.67, 8.17, 119.03 ppm; 4.33 A increased from 4.08 A): 1 out of 1 assignment used, quality = 0.98: QD1 ILE 28 + H PHE 10 OK 98 98 100 100 4.1-4.2 2.1/774=69, 2.1/8707=69...(20) Violated in 0 structures by 0.00 A. Peak 8065 from nnoeabs.peaks (5.04, 8.97, 120.10 ppm; 3.71 A): 1 out of 2 assignments used, quality = 0.99: HA GLN 27 + H ILE 11 OK 99 100 100 99 3.3-3.6 9016=69, 8045/6081=62...(11) HA PRO 35 - H ILE 11 far 0 98 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 8067 from nnoeabs.peaks (4.27, 9.16, 127.98 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.71: HA VAL 102 + H LEU 12 OK 71 73 100 97 3.6-3.8 8061/6098=74...(6) HA ALA 24 - H LEU 12 far 0 91 0 - 8.1-8.3 HA ILE 28 - H LEU 12 far 0 90 0 - 8.7-8.8 Violated in 0 structures by 0.00 A. Peak 8114 from nnoeabs.peaks (6.83, 7.31, 113.99 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.77: HZ2 TRP 80 + H ASN 20 OK 77 92 100 84 2.7-3.5 2.8/8861=33...(8) HZ2 TRP 80 - HE22 GLN 81 far 0 39 0 - 5.0-10.0 HD1 TRP 42 - H ASN 20 far 0 100 0 - 6.4-7.0 HD1 TRP 42 - HE22 GLN 81 far 0 48 0 - 6.7-11.0 HZ PHE 41 - H ASN 20 far 0 100 0 - 6.8-9.2 Violated in 1 structures by 0.00 A. Peak 8115 from nnoeabs.peaks (1.87, 7.31, 113.99 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.97: HB2 LEU 17 + H ASN 20 OK 97 98 100 99 2.3-2.7 1.8/6237=85, 8843=49...(8) HB3 GLN 86 - HE22 GLN 81 far 0 22 0 - 8.2-12.6 HB3 ARG 44 - H ASN 20 far 0 97 0 - 8.3-10.8 HB2 GLN 89 - H ASN 20 far 0 98 0 - 8.8-12.7 HB2 LEU 17 - HE22 GLN 81 far 0 45 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 8116 from nnoeabs.peaks (0.85, 7.31, 113.99 ppm; 3.78 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 17 + H ASN 20 OK 94 96 100 97 3.4-3.6 3.1/6237=59, 3.1/8115=52...(10) QD2 LEU 17 + H ASN 20 OK 91 99 95 97 4.0-4.4 3.1/6237=59, 3.1/8115=52...(13) HB2 LYS 84 - HE22 GLN 81 poor 11 44 55 47 3.3-7.7 11174/5.9=20...(4) QD1 LEU 109 - H ASN 20 far 0 99 0 - 7.9-21.5 HB2 LYS 84 - H ASN 20 far 0 98 0 - 8.0-9.3 QD1 LEU 17 - HE22 GLN 81 far 0 43 0 - 9.2-12.8 HG LEU 15 - H ASN 20 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 8168 from nnoeabs.peaks (1.11, 7.17, 109.31 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.85: QG2 THR 8 + HE21 GLN 27 OK 85 85 100 99 1.8-2.2 10325/1.7=74...(11) Violated in 0 structures by 0.00 A. Peak 8169 from nnoeabs.peaks (0.74, 7.17, 109.31 ppm; 3.55 A): 1 out of 4 assignments used, quality = 0.98: QG2 VAL 29 + HE21 GLN 27 OK 98 98 100 100 2.6-2.6 9075=81, 10326/1.7=64...(9) QG1 VAL 29 - HE21 GLN 27 far 0 96 0 - 4.7-4.8 QD1 ILE 11 - HE21 GLN 27 far 0 79 0 - 6.8-8.4 HB3 LEU 55 - HE21 GLN 27 far 0 73 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8176 from nnoeabs.peaks (5.31, 8.52, 126.46 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.98: HA PHE 10 + H ILE 28 OK 98 99 100 100 1.8-1.9 8729=59, 8045/6351=55...(22) HA ASP 26 - H ILE 28 far 0 100 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 8181 from nnoeabs.peaks (5.26, 8.20, 128.13 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.99: HA THR 33 + H VAL 29 OK 99 100 100 100 1.9-2.2 8226=73, 8223/750=46...(14) Violated in 0 structures by 0.00 A. Peak 8208 from nnoeabs.peaks (3.95, 8.00, 109.20 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.64: HA3 GLY 30 + H GLY 32 OK 64 68 100 95 3.8-4.0 1.8/8209=70...(6) HB THR 33 - H GLY 32 far 0 100 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 8209 from nnoeabs.peaks (3.64, 8.00, 109.20 ppm; 4.60 A): 1 out of 4 assignments used, quality = 0.74: HA2 GLY 30 + H GLY 32 OK 74 77 100 96 4.1-4.2 1.8/8208=85...(3) HB3 SER 34 - H GLY 32 far 0 99 0 - 6.2-6.9 HB2 SER 9 - H GLY 32 far 0 100 0 - 7.8-8.9 HB3 SER 9 - H GLY 32 far 0 100 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 8210 from nnoeabs.peaks (0.75, 8.00, 109.20 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.99: QG1 VAL 29 + H GLY 32 OK 99 100 100 99 2.8-2.8 809/10813=45, 9085=43...(11) QG2 ILE 28 - H GLY 32 far 0 68 0 - 4.3-4.4 QG2 VAL 29 - H GLY 32 far 0 90 0 - 4.6-4.6 QD1 ILE 11 - H GLY 32 far 0 93 0 - 7.3-7.4 QD2 LEU 109 - H GLY 32 far 0 100 0 - 10.0-24.2 Violated in 0 structures by 0.00 A. Peak 8212 from nnoeabs.peaks (0.74, 8.24, 113.07 ppm; 4.96 A increased from 4.18 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 29 + H THR 33 OK 99 99 100 100 4.7-4.9 8210/6414=79...(8) QG2 VAL 29 + H THR 33 OK 95 95 100 100 4.7-5.1 8186/3.0=83...(6) QD1 ILE 11 - H THR 33 far 0 87 0 - 5.6-5.7 QD2 LEU 109 - H THR 33 far 0 98 0 - 7.1-21.2 Violated in 0 structures by 0.00 A. Peak 8215 from nnoeabs.peaks (0.73, 9.01, 117.64 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 29 + H SER 34 OK 100 100 100 100 2.9-3.4 8183=72, 10350/6430=55...(12) QD1 ILE 11 + H SER 34 OK 38 65 80 73 3.6-4.5 8213/939=31...(9) QG1 VAL 29 - H SER 34 far 0 90 0 - 5.0-5.6 QD2 LEU 109 - H SER 34 far 0 87 0 - 7.7-19.9 Violated in 0 structures by 0.00 A. Peak 8216 from nnoeabs.peaks (2.34, 9.01, 117.64 ppm; 4.10 A increased from 3.86 A): 1 out of 2 assignments used, quality = 0.96: HB3 ASP 26 + H SER 34 OK 96 98 100 98 3.6-4.1 8217/939=73...(6) HB2 ASP 26 - H SER 34 far 0 95 0 - 5.3-5.8 Violated in 1 structures by 0.00 A. Peak 8220 from nnoeabs.peaks (4.27, 9.01, 117.64 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.95: HA ILE 28 + H SER 34 OK 95 95 100 100 3.0-3.1 9023=90, 8223/6425=72...(11) HA VAL 29 - H SER 34 far 0 70 0 - 5.3-5.8 HA LEU 109 - H SER 34 far 0 99 0 - 9.7-22.0 Violated in 0 structures by 0.00 A. Peak 8228 from nnoeabs.peaks (9.19, 9.01, 117.64 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.95: H GLN 27 + H SER 34 OK 95 95 100 100 3.2-3.5 6321=93, 6324/8216=39...(15) H LEU 12 - H SER 34 far 0 70 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 8256 from nnoeabs.peaks (2.20, 7.82, 106.16 ppm; 5.88 A increased from 5.53 A): 1 out of 2 assignments used, quality = 0.98: HB2 PRO 35 + H THR 37 OK 98 98 100 100 5.6-5.7 2.3/8268=98, 1.8/9139=97...(4) HG3 GLN 27 - H THR 37 far 0 98 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 8267 from nnoeabs.peaks (7.46, 7.82, 106.16 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.98: H VAL 25 + H THR 37 OK 98 100 100 99 3.4-4.1 8971=63, 8266/1075=58...(9) HZ2 TRP 60 - H THR 37 far 0 100 0 - 7.4-7.5 Violated in 1 structures by 0.00 A. Peak 8268 from nnoeabs.peaks (5.04, 7.82, 106.16 ppm; 4.36 A increased from 3.88 A): 1 out of 3 assignments used, quality = 0.98: HA PRO 35 + H THR 37 OK 98 100 100 98 4.1-4.2 3.6/6447=71...(5) HA GLN 27 - H THR 37 far 0 97 0 - 6.3-6.8 HA PHE 40 - H THR 37 far 0 98 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 8269 from nnoeabs.peaks (7.08, 8.28, 114.78 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.99: QE PHE 40 + H SER 38 OK 94 97 100 97 3.7-4.0 10400/4.0=58...(7) HZ PHE 40 + H SER 38 OK 89 99 100 90 3.3-3.9 2.2/10881=53...(6) QD PHE 10 - H SER 38 far 0 63 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8279 from nnoeabs.peaks (0.20, 9.07, 121.99 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.97: QB ALA 24 + H PHE 40 OK 97 100 100 97 3.3-3.6 8145=66, 2.1/9221=60...(6) QG1 VAL 102 - H PHE 40 far 0 82 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 8280 from nnoeabs.peaks (0.13, 9.07, 121.99 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 22 + H PHE 40 OK 100 100 100 100 3.5-3.7 8137=97, 602/8562=57...(11) QD1 LEU 15 - H PHE 40 far 0 96 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 8281 from nnoeabs.peaks (1.24, 9.07, 121.99 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.96: HG13 ILE 23 + H PHE 40 OK 96 96 100 100 3.7-4.0 8905=96, 1.8/9212=91...(10) HB3 LEU 15 - H PHE 40 far 0 93 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 8285 from nnoeabs.peaks (0.14, 9.31, 123.27 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 22 + H PHE 41 OK 99 99 100 100 3.5-3.9 8132/3.0=90...(11) QD1 LEU 15 - H PHE 41 far 0 93 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 8294 from nnoeabs.peaks (5.62, 8.73, 120.28 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.95: HA TRP 42 + H ALA 45 OK 95 100 100 95 1.8-2.5 2.5/9267=48...(11) HA ALA 22 - H ALA 45 far 0 98 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 8318 from nnoeabs.peaks (1.25, 6.75, 115.43 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.99: HD2 LYS 52 + HE21 GLN 49 OK 99 100 100 100 2.0-3.9 8319/1.7=64, 1.8/9376=54...(13) Violated in 2 structures by 0.02 A. Peak 8319 from nnoeabs.peaks (1.25, 7.83, 115.43 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.98: HD2 LYS 52 + HE22 GLN 49 OK 98 99 100 100 2.1-3.9 8318/1.7=83, 1.8/9377=58...(13) HG2 ARG 66 - HE22 GLN 49 far 0 65 0 - 9.4-12.0 Violated in 1 structures by 0.00 A. Peak 8320 from nnoeabs.peaks (7.57, 8.05, 116.44 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.95: H GLN 49 + H GLN 50 OK 95 100 100 95 2.7-2.9 9351=70, 9367/6584=40...(6) Violated in 0 structures by 0.00 A. Peak 8327 from nnoeabs.peaks (-0.14, 8.09, 121.12 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + H LYS 52 OK 100 100 100 100 2.2-2.9 9838=85, 8464/3.0=58...(25) Violated in 0 structures by 0.00 A. Peak 8410 from nnoeabs.peaks (1.59, 8.85, 117.44 ppm; 3.40 A increased from 3.02 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 62 + H ALA 64 OK 98 99 100 100 3.1-3.3 10459=98, 8412/6837=62...(9) HG13 ILE 67 + H ALA 64 OK 98 99 100 99 3.7-4.0 8408/6835=51...(18) HB2 ARG 66 - H ALA 64 far 0 100 0 - 7.3-7.6 HB2 LEU 55 - H ALA 64 far 0 95 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 8411 from nnoeabs.peaks (1.81, 8.85, 117.44 ppm; 4.44 A increased from 4.18 A): 1 out of 1 assignment used, quality = 1.00: HB ILE 67 + H ALA 64 OK 100 100 100 100 4.4-4.5 1998/6835=87...(14) Violated in 3 structures by 0.01 A. Peak 8412 from nnoeabs.peaks (1.58, 6.88, 115.50 ppm; 2.80 A): 1 out of 10 assignments used, quality = 0.99: QB ALA 62 + H ASP 65 OK 99 100 100 99 2.3-2.4 8386=77, 8409/6844=39...(11) HB3 LYS 58 - H TRP 60 poor 15 59 25 - 3.3-3.5 HG13 ILE 67 - H ASP 65 far 0 91 0 - 5.1-5.1 HB2 ARG 66 - H ASP 65 far 0 98 0 - 6.2-6.4 QB ALA 62 - H TRP 60 far 0 75 0 - 7.2-7.4 HB2 LEU 55 - H ASP 65 far 0 82 0 - 7.7-8.4 HB2 LEU 55 - H TRP 60 far 0 55 0 - 8.3-9.0 HG LEU 36 - H TRP 60 far 0 71 0 - 8.7-9.1 HB2 ARG 66 - H TRP 60 far 0 71 0 - 9.4-10.5 HB3 LYS 58 - H ASP 65 far 0 87 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 8413 from nnoeabs.peaks (0.33, 6.88, 115.50 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.47: HB2 LYS 58 + H TRP 60 OK 47 57 100 83 2.4-2.9 1.8/9729=41...(6) QG2 ILE 61 - H ASP 65 far 0 98 0 - 4.3-4.5 QG2 ILE 61 - H TRP 60 far 0 71 0 - 5.3-5.7 QD2 LEU 55 - H TRP 60 far 0 74 0 - 7.2-7.8 QD2 LEU 55 - H ASP 65 far 0 100 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 8418 from nnoeabs.peaks (0.33, 7.83, 120.22 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.98: QG2 ILE 61 + H ARG 66 OK 98 99 100 100 3.1-3.5 8384=81, 9624/3.0=43...(16) QD2 LEU 55 - H ARG 66 far 0 100 0 - 5.9-6.2 HB2 LYS 58 - H ARG 66 far 0 87 0 - 9.8-10.9 Violated in 3 structures by 0.01 A. Peak 8446 from nnoeabs.peaks (1.09, 7.05, 114.06 ppm; 4.41 A): 0 out of 3 assignments used, quality = 0.00: HG3 ARG 66 - HD21 ASN 68 far 0 61 0 - 8.4-9.1 QG2 THR 8 - HD21 ASN 68 far 0 99 0 - 9.2-9.5 HG LEU 51 - HD21 ASN 68 far 0 95 0 - 9.4-9.9 Violated in 20 structures by 3.34 A. Peak 8447 from nnoeabs.peaks (0.88, 7.05, 114.06 ppm; 4.33 A): 1 out of 8 assignments used, quality = 0.98: QG1 VAL 69 + HD21 ASN 68 OK 98 99 100 100 2.3-2.5 9804/3.5=63, 8448/1.7=53...(11) QG2 ILE 11 - HD21 ASN 68 lone 1 77 100 2 4.4-4.7 QG2 VAL 25 - HD21 ASN 68 far 0 70 0 - 5.3-5.5 QD1 LEU 12 - HD21 ASN 68 far 0 68 0 - 6.3-6.5 QG2 VAL 103 - HD21 ASN 68 far 0 97 0 - 6.9-7.9 QG2 ILE 67 - HD21 ASN 68 far 0 93 0 - 7.1-7.3 QD1 LEU 51 - HD21 ASN 68 far 0 87 0 - 7.5-7.8 QG1 VAL 103 - HD21 ASN 68 far 0 99 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 8448 from nnoeabs.peaks (0.90, 7.99, 114.06 ppm; 4.71 A): 1 out of 4 assignments used, quality = 0.98: QG1 VAL 69 + HD22 ASN 68 OK 98 99 100 100 1.8-2.0 8443/6917=83...(11) QG2 ILE 67 - HD22 ASN 68 far 0 100 0 - 6.1-6.3 QG2 VAL 103 - HD22 ASN 68 far 0 99 0 - 8.2-9.2 QG1 VAL 103 - HD22 ASN 68 far 0 73 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 8472 from nnoeabs.peaks (0.90, 6.80, 111.21 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 67 + HD21 ASN 71 OK 100 100 100 100 2.0-2.3 8437=100, 8440/1.7=65...(9) QG1 VAL 69 - HD21 ASN 71 far 0 99 0 - 8.1-8.2 HG3 LYS 52 - HD21 ASN 71 far 0 63 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 8473 from nnoeabs.peaks (0.97, 6.75, 111.17 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.98: QG2 THR 74 + HD22 ASN 78 OK 98 99 100 99 2.6-3.0 8482=95, 8515/1.7=66...(9) QG1 VAL 76 - HD22 ASN 78 far 0 75 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 8475 from nnoeabs.peaks (0.90, 7.79, 111.21 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 67 + HD22 ASN 71 OK 100 100 100 100 2.2-2.4 8440=100, 8437/1.7=81...(10) QG1 VAL 69 - HD22 ASN 71 far 0 100 0 - 6.8-7.0 QD1 LEU 51 - HD22 ASN 71 far 0 61 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 8487 from nnoeabs.peaks (0.84, 8.38, 120.97 ppm; 3.54 A): 1 out of 13 assignments used, quality = 1.00: QD1 LEU 12 + H ALA 73 OK 100 100 100 100 2.8-3.1 2.1/8488=71, 8069/3.0=52...(21) QD2 LEU 17 - H GLU 110 far 7 68 10 - 3.1-16.5 QD1 LEU 109 - H GLU 110 far 3 68 5 - 3.8-4.7 QD1 LEU 17 - H GLU 110 far 0 67 0 - 4.3-16.8 QG2 VAL 102 - H ALA 73 far 0 100 0 - 4.3-4.6 QG2 VAL 25 - H ALA 73 far 0 100 0 - 5.1-5.5 HG LEU 15 - H GLU 110 far 0 68 0 - 5.6-13.8 QG2 ILE 23 - H ALA 73 far 0 61 0 - 5.7-5.9 QG1 VAL 103 - H GLU 110 far 0 45 0 - 6.1-14.7 QD1 LEU 51 - H ALA 73 far 0 96 0 - 6.5-6.8 QG2 ILE 11 - H ALA 73 far 0 99 0 - 7.9-8.0 QD1 ILE 67 - H ALA 73 far 0 57 0 - 8.1-8.2 QG1 VAL 103 - H ALA 73 far 0 77 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 8488 from nnoeabs.peaks (0.62, 8.38, 120.97 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 12 + H ALA 73 OK 99 99 100 100 2.6-3.0 2.1/8487=63, 8490/3.0=58...(22) QD1 ILE 77 - H ALA 73 far 0 73 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 8515 from nnoeabs.peaks (0.98, 7.57, 111.17 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.91: QG2 THR 74 + HD21 ASN 78 OK 91 97 100 94 2.1-2.4 8482/1.7=75, 2349=31...(8) QG1 VAL 76 - HD21 ASN 78 far 0 68 0 - 7.3-7.5 QG1 VAL 14 - HD21 ASN 78 far 0 81 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8525 from nnoeabs.peaks (0.86, 8.85, 115.51 ppm; 3.56 A): 1 out of 8 assignments used, quality = 0.86: QG2 VAL 102 + H GLU 101 OK 86 87 100 99 3.0-3.5 10301=62, 2889/7268=54...(11) QG2 ILE 11 - H GLU 101 far 0 98 0 - 6.2-6.7 QG2 VAL 103 - H GLU 101 far 0 73 0 - 6.3-6.7 QG1 VAL 103 - H GLU 101 far 0 99 0 - 7.4-8.6 HD2 LYS 98 - H GLU 101 far 0 100 0 - 7.7-8.1 QD1 LEU 12 - H GLU 101 far 0 95 0 - 7.9-8.1 QG1 VAL 69 - H GLU 101 far 0 79 0 - 8.4-8.6 QG2 VAL 25 - H GLU 101 far 0 96 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 8562 from nnoeabs.peaks (8.80, 9.07, 121.99 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.99: H ILE 23 + H PHE 40 OK 99 100 100 99 3.1-3.3 8895=67, 602/8280=46...(13) Violated in 0 structures by 0.00 A. Peak 8597 from nnoeabs.peaks (4.39, 8.62, 127.23 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 103 + H PHE 104 OK 100 100 100 100 2.3-2.3 3.6=100 HA GLU 101 - H PHE 104 far 0 70 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 8598 from nnoeabs.peaks (8.62, 8.62, 127.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 104 + H PHE 104 OK 100 100 - 100 Peak 8599 from nnoeabs.peaks (2.94, 8.62, 127.23 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 104 + H PHE 104 OK 100 100 100 100 3.8-3.9 4.1=100 HB2 PHE 104 + H PHE 104 OK 99 99 100 100 2.7-2.8 4.1=100 Violated in 0 structures by 0.00 A. Peak 8600 from nnoeabs.peaks (2.78, 8.41, 115.44 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 48 + H TRP 48 OK 100 100 100 100 2.3-2.8 4.0=100 HE3 LYS 52 - H TRP 48 far 0 92 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 8601 from nnoeabs.peaks (3.39, 8.41, 115.44 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 48 + H TRP 48 OK 100 100 100 100 2.3-2.8 4.0=100 HB3 PHE 40 - H TRP 48 far 0 100 0 - 5.3-5.5 HA ILE 77 - H TRP 48 far 0 100 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 8606 from nnoeabs.peaks (8.41, 8.41, 115.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 48 + H TRP 48 OK 100 100 - 100 Peak 8607 from nnoeabs.peaks (7.57, 7.57, 118.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 49 + H GLN 49 OK 100 100 - 100 Peak 8608 from nnoeabs.peaks (3.46, 7.57, 118.11 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 49 + H GLN 49 OK 100 100 100 100 2.8-2.8 3.0=100 HA LEU 51 - H GLN 49 far 0 97 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 8610 from nnoeabs.peaks (9.46, 9.45, 118.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 81 + H GLN 81 OK 100 100 - 100 Peak 8614 from nnoeabs.peaks (6.81, 9.20, 127.20 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 80 + HE1 TRP 80 OK 100 100 100 100 2.8-2.8 2.8=100 HD1 TRP 42 - HE1 TRP 80 far 0 94 0 - 6.5-7.0 HZ PHE 41 - HE1 TRP 80 far 0 90 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 8617 from nnoeabs.peaks (9.74, 9.74, 130.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 16 + HE1 TRP 16 OK 100 100 - 100 Peak 8618 from nnoeabs.peaks (7.16, 9.74, 130.22 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HD1 TRP 16 + HE1 TRP 16 OK 100 100 100 100 2.6-2.6 2.6=100 QD PHE 104 - HE1 TRP 16 far 0 95 0 - 6.2-7.9 Violated in 0 structures by 0.00 A. Peak 8619 from nnoeabs.peaks (7.47, 9.74, 130.22 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 16 + HE1 TRP 16 OK 100 100 100 100 2.8-2.8 2.8=100 HZ3 TRP 16 - HE1 TRP 16 far 0 87 0 - 5.9-5.9 HE22 GLN 89 - HE1 TRP 16 far 0 69 0 - 7.4-11.8 Violated in 0 structures by 0.00 A. Peak 8637 from nnoeabs.peaks (9.51, 9.51, 130.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 48 + HE1 TRP 48 OK 100 100 - 100 Peak 8638 from nnoeabs.peaks (7.32, 9.51, 130.48 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 48 + HE1 TRP 48 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 8639 from nnoeabs.peaks (6.70, 9.51, 130.48 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 48 + HE1 TRP 48 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 8642 from nnoeabs.peaks (10.44, 10.44, 130.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 60 + HE1 TRP 60 OK 100 100 - 100 Peak 8643 from nnoeabs.peaks (7.46, 10.44, 130.59 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 60 + HE1 TRP 60 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 8644 from nnoeabs.peaks (7.19, 10.44, 130.59 ppm; 2.71 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 60 + HE1 TRP 60 OK 100 100 100 100 2.6-2.6 2.6=100 HZ3 TRP 60 - HE1 TRP 60 far 0 84 0 - 5.9-5.9 HE21 GLN 27 - HE1 TRP 60 far 0 92 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 8657 from nnoeabs.peaks (9.52, 8.47, 115.55 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.98: HE1 TRP 48 + H THR 74 OK 98 98 100 100 3.1-3.2 9307=97, 9345/3.6=66...(12) Violated in 0 structures by 0.00 A. Peak 8671 from nnoeabs.peaks (4.72, 8.14, 122.35 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.56: HA PHE 79 + H PHE 79 OK 56 56 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 8699 from nnoeabs.peaks (7.00, 8.51, 118.95 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.73: H LYS 58 + H GLU 56 OK 51 54 100 94 4.2-4.4 9560/3.0=60, 9561/3.6=55...(6) H ALA 57 + H GLU 56 OK 45 45 100 100 2.6-2.7 4.5=80, 6735/4.0=53...(15) H ILE 61 - H GLU 56 far 0 39 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 8707 from nnoeabs.peaks (0.97, 8.17, 119.03 ppm; 4.52 A increased from 4.02 A): 1 out of 3 assignments used, quality = 0.94: HG13 ILE 28 + H PHE 10 OK 94 94 100 100 4.4-4.5 2.1/8043=78, 1.8/774=78...(18) QG1 VAL 25 - H PHE 10 far 0 100 0 - 5.8-5.9 QG2 THR 37 - H PHE 10 far 0 85 0 - 9.1-9.3 Violated in 3 structures by 0.00 A. Peak 8708 from nnoeabs.peaks (0.88, 8.17, 119.03 ppm; 4.60 A increased from 4.09 A): 2 out of 9 assignments used, quality = 1.00: QG1 VAL 69 + H PHE 10 OK 99 99 100 100 4.3-4.5 8453/6073=75...(9) QG2 ILE 11 + H PHE 10 OK 68 75 90 100 5.1-5.2 3.2/8042=66, 3.2/8725=57...(14) QG2 VAL 25 - H PHE 10 far 0 68 0 - 6.9-7.1 QG1 VAL 6 - H PHE 10 far 0 59 0 - 7.2-10.4 QG2 VAL 103 - H PHE 10 far 0 98 0 - 7.9-8.8 QD1 LEU 51 - H PHE 10 far 0 85 0 - 8.7-8.9 QG1 VAL 103 - H PHE 10 far 0 99 0 - 9.0-10.7 QD1 LEU 12 - H PHE 10 far 0 65 0 - 9.1-9.3 QG2 ILE 67 - H PHE 10 far 0 94 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 8709 from nnoeabs.peaks (0.78, 8.17, 119.03 ppm; 4.68 A increased from 4.16 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 28 + H PHE 10 OK 100 100 100 100 4.5-4.6 2.1/8710=76, 3.2/8043=68...(17) QD1 ILE 11 + H PHE 10 OK 24 97 25 100 4.4-5.4 2.1/8042=81...(15) QD2 LEU 36 - H PHE 10 far 0 99 0 - 6.0-6.2 QG2 VAL 69 - H PHE 10 far 0 100 0 - 6.4-6.5 QG1 VAL 29 - H PHE 10 far 0 81 0 - 8.9-9.0 HB3 LEU 55 - H PHE 10 far 0 99 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 8710 from nnoeabs.peaks (1.62, 8.17, 119.03 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: HB ILE 28 + H PHE 10 OK 100 100 100 100 3.3-3.4 8704/6069=85...(17) HB ILE 11 - H PHE 10 far 0 98 0 - 6.5-6.5 HB2 ARG 66 - H PHE 10 far 0 77 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 8725 from nnoeabs.peaks (4.60, 8.17, 119.03 ppm; 4.91 A increased from 4.14 A): 1 out of 2 assignments used, quality = 0.79: HA ILE 11 + H PHE 10 OK 79 79 100 100 4.8-4.8 3.0/6078=72, 3.8/8042=65...(8) HA THR 8 - H PHE 10 far 0 100 0 - 6.4-6.4 Violated in 0 structures by 0.00 A. Peak 8726 from nnoeabs.peaks (7.24, 8.17, 119.03 ppm; 4.87 A increased from 4.33 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 10 + H PHE 10 OK 100 100 100 100 4.7-4.8 2.2/6075=99, 4.4/6073=68...(7) HZ3 TRP 60 - H PHE 10 far 0 88 0 - 6.9-7.2 HH2 TRP 60 - H PHE 10 far 0 96 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 8734 from nnoeabs.peaks (8.52, 8.97, 120.10 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: H ILE 28 + H ILE 11 OK 100 100 100 100 3.9-4.0 8176/6081=77...(11) H SER 9 - H ILE 11 far 0 99 0 - 7.3-7.5 H ILE 67 - H ILE 11 far 0 88 0 - 9.5-9.9 H VAL 14 - H ILE 11 far 0 82 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 8748 from nnoeabs.peaks (2.33, 8.97, 120.10 ppm; 5.14 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASP 26 + H ILE 11 OK 97 100 100 97 4.2-4.6 8049/6088=46...(9) HB2 ASP 26 + H ILE 11 OK 97 98 100 98 3.8-4.1 11205/4.0=70...(9) HG2 GLN 72 - H ILE 11 far 0 59 0 - 7.6-7.9 HB2 GLU 101 - H ILE 11 far 0 90 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 8756 from nnoeabs.peaks (0.98, 8.97, 120.10 ppm; 3.29 A): 1 out of 4 assignments used, quality = 0.91: QG1 VAL 25 + H ILE 11 OK 91 99 100 92 2.5-2.7 8950/6083=38...(14) HG13 ILE 28 - H ILE 11 far 0 79 0 - 4.5-4.6 QG2 THR 33 - H ILE 11 far 0 70 0 - 4.9-5.2 QG2 THR 37 - H ILE 11 far 0 97 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 8792 from nnoeabs.peaks (0.50, 8.85, 126.44 ppm; 4.61 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 14 + H LYS 13 OK 99 100 100 99 4.3-4.7 8813/2.9=69...(10) QD2 LEU 51 + H LYS 13 OK 33 91 55 66 4.9-5.5 10911/8805=23...(6) HG12 ILE 77 - H LYS 13 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 8793 from nnoeabs.peaks (0.19, 8.85, 126.44 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.99: QB ALA 24 + H LYS 13 OK 98 100 100 98 2.7-3.6 4.4/10800=52...(15) QG1 VAL 102 + H LYS 13 OK 64 70 100 92 4.3-4.7 8073/6116=48...(11) Violated in 0 structures by 0.00 A. Peak 8805 from nnoeabs.peaks (0.96, 8.85, 126.44 ppm; 5.26 A increased from 4.67 A): 1 out of 6 assignments used, quality = 0.96: QG1 VAL 25 + H LYS 13 OK 96 96 100 99 4.9-5.0 3.2/10800=86...(7) QG2 THR 37 - H LYS 13 far 0 63 0 - 6.4-6.9 QG1 VAL 14 - H LYS 13 far 0 98 0 - 6.4-6.6 QG1 VAL 76 - H LYS 13 far 0 93 0 - 7.2-7.5 HB2 LEU 15 - H LYS 13 far 0 100 0 - 7.5-8.0 HG13 ILE 28 - H LYS 13 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 8808 from nnoeabs.peaks (0.20, 8.54, 119.92 ppm; 5.53 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 24 + H VAL 14 OK 99 100 100 99 4.8-5.6 8797/273=65...(9) QG1 VAL 102 + H VAL 14 OK 85 85 100 100 2.6-3.0 10219=85, 8527/352=78...(12) Violated in 0 structures by 0.00 A. Peak 8810 from nnoeabs.peaks (0.88, 8.54, 119.92 ppm; 4.45 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 103 + H VAL 14 OK 99 99 100 100 1.8-4.0 10234=99, 2.1/8531=86...(11) QG2 VAL 103 + H VAL 14 OK 91 96 95 100 3.6-5.1 2.1/8531=86...(9) QD1 LEU 12 - H VAL 14 far 0 70 0 - 5.2-5.8 QG2 ILE 11 - H VAL 14 far 0 79 0 - 6.5-6.7 HG LEU 15 - H VAL 14 far 0 59 0 - 6.7-7.0 QG2 VAL 25 - H VAL 14 far 0 71 0 - 7.0-7.4 QD1 LEU 109 - H VAL 14 far 0 59 0 - 7.7-13.9 QD1 LEU 51 - H VAL 14 far 0 88 0 - 8.6-9.0 QG1 VAL 69 - H VAL 14 far 0 98 0 - 8.7-8.9 QD2 LEU 17 - H VAL 14 far 0 63 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8811 from nnoeabs.peaks (1.89, 8.54, 119.92 ppm; 5.21 A): 1 out of 3 assignments used, quality = 0.94: HB VAL 103 + H VAL 14 OK 94 94 100 100 3.3-4.7 2.1/10234=96, 8531=94...(10) HB3 LEU 12 - H VAL 14 far 0 85 0 - 5.8-6.3 HB3 GLN 96 - H VAL 14 far 0 96 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 8820 from nnoeabs.peaks (8.43, 8.89, 126.92 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.77: H ALA 22 + H LEU 15 OK 77 79 100 98 3.5-3.8 2.9/8887=77, 11193=62...(10) H ASP 18 - H LEU 15 far 0 82 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 8828 from nnoeabs.peaks (5.13, 8.89, 126.92 ppm; 4.45 A): 0 out of 3 assignments used, quality = 0.00: HA LYS 13 - H LEU 15 far 0 91 0 - 5.9-6.2 HA VAL 25 - H LEU 15 far 0 87 0 - 9.0-9.5 HA ASN 20 - H LEU 15 far 0 87 0 - 9.3-9.7 Violated in 20 structures by 1.50 A. Peak 8829 from nnoeabs.peaks (5.49, 8.89, 126.92 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.98: HA ILE 23 + H LEU 15 OK 98 99 100 99 3.1-3.4 8814/363=66...(8) Violated in 0 structures by 0.00 A. Peak 8841 from nnoeabs.peaks (4.46, 6.92, 124.25 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.95: HA VAL 21 + H LEU 17 OK 95 96 100 99 2.5-3.4 8698=80, 8705/4.8=57...(6) HA GLN 19 - H LEU 17 far 0 68 0 - 7.0-8.3 HA SER 107 - H LEU 17 far 0 92 0 - 9.1-16.6 Violated in 0 structures by 0.00 A. Peak 8861 from nnoeabs.peaks (9.20, 7.31, 113.99 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.98: HE1 TRP 80 + H ASN 20 OK 98 100 100 98 3.2-4.2 2.8/8114=91, ~10512=37...(7) HE1 TRP 80 - HE22 GLN 81 far 0 48 0 - 7.0-11.6 H TRP 16 - H ASN 20 far 0 77 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 8862 from nnoeabs.peaks (2.75, 7.31, 113.99 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.99: HB3 ASP 18 + H ASN 20 OK 96 99 100 96 4.1-4.7 8850/6234=62...(10) HB2 ASP 18 + H ASN 20 OK 60 100 100 61 4.6-5.3 8848/8115=34...(6) HG2 GLN 81 + HE22 GLN 81 OK 33 33 100 100 2.7-4.1 3.5=100 HG2 GLN 81 - H ASN 20 far 0 81 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 8864 from nnoeabs.peaks (0.84, 7.63, 113.39 ppm; 5.95 A): 3 out of 10 assignments used, quality = 1.00: QD1 LEU 17 + HD21 ASN 20 OK 98 100 100 98 1.9-5.0 8595/3.5=84...(6) QD2 LEU 17 + HD21 ASN 20 OK 87 100 95 92 2.5-6.9 ~8595=65, 8596/3.5=39...(8) QD2 LEU 17 + HE21 GLN 19 OK 44 99 95 46 4.3-6.6 8849/10305=16...(5) QD1 LEU 17 - HE21 GLN 19 poor 14 99 45 31 4.7-7.5 10300/6247=27, 8596/568=3 QD1 LEU 109 - HE21 GLN 19 far 0 99 0 - 6.8-23.8 QD1 LEU 109 - HD21 ASN 20 far 0 100 0 - 7.0-22.7 HB2 LYS 84 - HE21 GLN 19 far 0 99 0 - 8.4-11.0 QG2 ILE 23 - HD21 ASN 20 far 0 61 0 - 8.4-10.1 HG LEU 15 - HD21 ASN 20 far 0 100 0 - 9.0-12.4 HB2 LYS 84 - HD21 ASN 20 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 8877 from nnoeabs.peaks (9.29, 8.68, 116.09 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.91: H TRP 42 + H VAL 21 OK 91 99 100 92 3.1-3.6 9235/6267=69, 9241=49...(5) H PHE 41 - H VAL 21 far 0 95 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 8895 from nnoeabs.peaks (9.08, 8.80, 113.81 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.99: H PHE 40 + H ILE 23 OK 99 99 100 100 3.1-3.3 8562=99, 8280/602=59...(13) Violated in 0 structures by 0.00 A. Peak 8923 from nnoeabs.peaks (4.61, 8.80, 113.81 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.94: HA PHE 41 + H ILE 23 OK 94 100 100 94 3.9-4.3 8132/602=75...(3) HB THR 37 - H ILE 23 far 0 90 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 8924 from nnoeabs.peaks (4.54, 8.80, 113.81 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.91: HA TYR 39 + H ILE 23 OK 91 91 100 100 4.2-4.4 10354=89, 3.6/8562=86...(4) HA ALA 45 - H ILE 23 far 0 71 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 8937 from nnoeabs.peaks (0.51, 8.92, 123.89 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 14 + H ALA 24 OK 97 98 100 99 3.2-4.0 8084/6292=63...(14) QD2 LEU 51 + H ALA 24 OK 57 63 100 90 3.8-4.4 8144/650=44...(11) HG12 ILE 77 - H ALA 24 far 0 97 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 8938 from nnoeabs.peaks (0.84, 8.92, 123.89 ppm; 3.30 A): 2 out of 10 assignments used, quality = 1.00: QD1 LEU 12 + H ALA 24 OK 99 99 100 100 2.8-3.2 10845=98, 8155/6292=35...(15) QG2 ILE 23 + H ALA 24 OK 67 68 100 99 3.7-3.8 2.1/6293=55, 3.2/6292=52...(17) QG2 VAL 25 - H ALA 24 far 0 99 0 - 4.2-4.5 QD1 LEU 51 - H ALA 24 far 0 93 0 - 4.8-5.3 QG1 VAL 103 - H ALA 24 far 0 71 0 - 5.7-7.3 QG2 VAL 102 - H ALA 24 far 0 100 0 - 6.3-7.1 QG2 ILE 11 - H ALA 24 far 0 98 0 - 7.7-7.8 HG LEU 15 - H ALA 24 far 0 100 0 - 8.1-9.0 QD1 LEU 17 - H ALA 24 far 0 100 0 - 9.2-9.5 QD1 LEU 109 - H ALA 24 far 0 100 0 - 9.9-15.6 Violated in 0 structures by 0.00 A. Peak 8940 from nnoeabs.peaks (1.16, 8.92, 123.89 ppm; 5.82 A): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 13 + H ALA 24 OK 96 96 100 100 5.4-6.1 3.0/8941=73, ~8797=57...(13) HB2 LEU 12 + H ALA 24 OK 95 95 100 100 5.2-5.6 3.1/10845=99...(11) HG2 LYS 13 + H ALA 24 OK 82 96 85 100 5.2-6.5 3.0/8941=73, ~8797=57...(14) Violated in 0 structures by 0.00 A. Peak 8941 from nnoeabs.peaks (1.60, 8.92, 123.89 ppm; 5.75 A increased from 5.41 A): 1 out of 5 assignments used, quality = 1.00: HB3 LYS 13 + H ALA 24 OK 100 100 100 100 4.0-5.5 8797/2.9=89, ~10866=61...(10) HG13 ILE 77 - H ALA 24 far 0 77 0 - 6.5-7.1 HB ILE 11 - H ALA 24 far 0 81 0 - 7.9-8.0 HB2 GLN 50 - H ALA 24 far 0 90 0 - 9.2-9.7 HB2 LEU 70 - H ALA 24 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8959 from nnoeabs.peaks (5.39, 7.45, 115.93 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.70: HG1 THR 37 + H VAL 25 OK 70 71 100 98 1.9-2.0 3.0/8266=70...(8) HA VAL 14 - H VAL 25 far 0 75 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 8963 from nnoeabs.peaks (6.35, 8.92, 123.89 ppm; 5.75 A increased from 5.41 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 39 + H ALA 24 OK 100 100 100 100 3.5-5.5 8972/2.9=82, ~8147=65...(10) Violated in 0 structures by 0.00 A. Peak 8965 from nnoeabs.peaks (5.12, 8.92, 123.89 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 25 + H ALA 24 OK 99 99 100 100 4.4-4.7 10318=85, ~6303=71...(15) HA LYS 13 + H ALA 24 OK 65 65 100 100 4.8-5.0 3.0/8941=77, ~8797=60...(11) Violated in 0 structures by 0.00 A. Peak 8971 from nnoeabs.peaks (7.84, 7.45, 115.93 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.88: H THR 37 + H VAL 25 OK 88 88 100 100 3.4-4.1 8267=88, 1075/8266=62...(9) Violated in 0 structures by 0.00 A. Peak 8976 from nnoeabs.peaks (8.87, 9.00, 126.86 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.92: H LYS 13 + H ASP 26 OK 92 96 100 96 3.4-3.8 10800/6312=60...(9) Violated in 0 structures by 0.00 A. Peak 8980 from nnoeabs.peaks (3.95, 9.18, 119.24 ppm; 4.87 A increased from 4.58 A): 1 out of 1 assignment used, quality = 1.00: HB THR 33 + H GLN 27 OK 100 100 100 100 4.6-4.9 9113=88, 8217/6324=87...(7) Violated in 1 structures by 0.00 A. Peak 8981 from nnoeabs.peaks (3.71, 9.18, 119.24 ppm; 5.85 A increased from 5.20 A): 2 out of 3 assignments used, quality = 0.99: HD2 PRO 35 + H GLN 27 OK 97 97 100 100 5.4-5.6 4.8/6321=81...(5) HB2 SER 34 + H GLN 27 OK 77 77 100 100 3.8-5.7 1.8/9115=99, 4.0/6321=91...(5) HA LEU 55 - H GLN 27 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 8982 from nnoeabs.peaks (1.16, 9.00, 126.86 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: HG3 LYS 13 + H ASP 26 OK 97 99 100 98 3.0-4.9 8787=48, 4.9/8976=43...(15) HG2 LYS 13 + H ASP 26 OK 97 99 100 98 2.8-4.6 8787=48, 4.9/8976=43...(15) HB2 LEU 12 - H ASP 26 far 4 90 5 - 4.9-5.1 QD1 LEU 36 - H ASP 26 far 0 99 0 - 6.8-7.0 HB VAL 14 - H ASP 26 far 0 65 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 8983 from nnoeabs.peaks (1.44, 9.00, 126.86 ppm; 4.93 A increased from 4.38 A): 4 out of 5 assignments used, quality = 1.00: HB2 LEU 36 + H ASP 26 OK 95 96 100 100 5.2-5.4 8945/6315=80, ~8161=54...(10) HG13 ILE 11 + H ASP 26 OK 92 92 100 100 3.5-5.3 2.1/10322=91...(10) HD3 LYS 13 + H ASP 26 OK 61 65 100 93 4.0-5.2 5.8/8976=44, 3.0/8982=39...(10) HD2 LYS 13 + H ASP 26 OK 52 65 85 94 4.5-6.1 5.8/8976=44, 3.0/8982=39...(10) HG LEU 70 - H ASP 26 far 0 96 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 8984 from nnoeabs.peaks (1.64, 9.00, 126.86 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.98: HB ILE 11 + H ASP 26 OK 98 100 100 98 2.8-3.2 187/10322=68...(13) HB3 LYS 13 - H ASP 26 far 0 63 0 - 5.0-6.1 HB ILE 28 - H ASP 26 far 0 95 0 - 8.0-8.2 HB2 LEU 55 - H ASP 26 far 0 71 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 8996 from nnoeabs.peaks (1.75, 9.18, 119.24 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 36 + H GLN 27 OK 100 100 100 100 3.7-4.1 9141=99, 1.8/8997=89...(14) HB3 PRO 35 - H GLN 27 far 0 99 0 - 5.7-5.7 HG LEU 55 - H GLN 27 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 8997 from nnoeabs.peaks (1.47, 9.18, 119.24 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.98: HB2 LEU 36 + H GLN 27 OK 98 99 100 100 2.5-2.8 9140=93, 1.8/9141=68...(14) HD2 LYS 13 - H GLN 27 far 0 99 0 - 6.1-8.7 HD3 LYS 13 - H GLN 27 far 0 99 0 - 6.4-7.2 HG3 LYS 58 - H GLN 27 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 8998 from nnoeabs.peaks (1.15, 9.18, 119.24 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 36 + H GLN 27 OK 100 100 100 100 4.1-4.4 9142=99, 1059/8997=70...(17) HG3 LYS 13 - H GLN 27 far 0 100 0 - 6.2-7.7 HG2 LYS 13 - H GLN 27 far 0 100 0 - 6.5-7.9 HB2 LEU 12 - H GLN 27 far 0 70 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 8999 from nnoeabs.peaks (1.01, 9.18, 119.24 ppm; 4.37 A increased from 4.11 A): 3 out of 4 assignments used, quality = 1.00: QG2 THR 33 + H GLN 27 OK 100 100 100 100 4.5-4.8 8218/6323=75...(9) QG1 VAL 25 + H GLN 27 OK 57 61 100 93 4.1-4.5 8974=41, 4.1/6319=26...(13) HG12 ILE 11 + H GLN 27 OK 45 68 75 89 4.8-6.1 2.1/9000=35...(10) QG2 THR 37 - H GLN 27 far 0 96 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 9000 from nnoeabs.peaks (0.78, 9.18, 119.24 ppm; 4.53 A): 2 out of 7 assignments used, quality = 1.00: QD1 ILE 11 + H GLN 27 OK 98 99 100 99 3.2-4.8 8743/6350=52...(13) QD2 LEU 36 + H GLN 27 OK 97 97 100 100 3.9-4.1 2.1/9142=78, 3.1/8997=63...(17) QG2 ILE 28 - H GLN 27 far 0 100 0 - 6.5-6.7 QG1 VAL 29 - H GLN 27 far 0 87 0 - 7.5-7.8 QG2 VAL 69 - H GLN 27 far 0 100 0 - 7.8-8.1 QD2 LEU 109 - H GLN 27 far 0 90 0 - 8.3-18.8 HB3 LEU 55 - H GLN 27 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 9020 from nnoeabs.peaks (8.99, 8.52, 126.46 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.99: H SER 34 + H ILE 28 OK 93 94 100 99 4.3-4.4 9023/3.0=64...(11) H ILE 11 + H ILE 28 OK 84 84 100 100 3.9-4.0 8734=77, 9016/6351=69...(11) H ASP 26 - H ILE 28 far 0 100 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 9030 from nnoeabs.peaks (7.04, 8.52, 126.46 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 10 + H ILE 28 OK 100 100 100 100 4.1-4.1 9015/6351=87...(10) HD21 ASN 68 - H ILE 28 far 0 99 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 9035 from nnoeabs.peaks (4.47, 8.52, 126.46 ppm; 4.62 A increased from 4.35 A): 1 out of 2 assignments used, quality = 1.00: HA SER 9 + H ILE 28 OK 100 100 100 100 4.5-4.6 8704/6359=82...(9) HA2 GLY 32 - H ILE 28 far 0 93 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 9049 from nnoeabs.peaks (3.66, 8.52, 126.46 ppm; 3.89 A): 1 out of 4 assignments used, quality = 0.98: HB2 SER 9 + H ILE 28 OK 98 99 100 99 3.5-4.2 8040/6363=48...(12) HB3 SER 9 - H ILE 28 far 5 99 5 - 3.8-5.2 HB3 SER 34 - H ILE 28 far 0 100 0 - 5.4-6.3 HD2 PRO 35 - H ILE 28 far 0 59 0 - 8.6-8.7 Violated in 2 structures by 0.03 A. Peak 9060 from nnoeabs.peaks (1.02, 8.20, 128.13 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 33 + H VAL 29 OK 100 100 100 100 2.9-3.0 11214=100, 8221/750=63...(14) HG12 ILE 11 - H VAL 29 far 0 85 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 9067 from nnoeabs.peaks (3.95, 8.20, 128.13 ppm; 4.69 A increased from 4.17 A): 2 out of 2 assignments used, quality = 1.00: HB THR 33 + H VAL 29 OK 100 100 100 100 4.5-4.8 2.1/11214=97...(7) HA3 GLY 30 + H VAL 29 OK 68 70 100 98 5.2-5.2 8208/10813=65...(6) Violated in 0 structures by 0.00 A. Peak 9068 from nnoeabs.peaks (3.84, 8.20, 128.13 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: HA3 GLY 32 + H VAL 29 OK 100 100 100 100 4.2-4.6 6413/10813=93...(6) Violated in 0 structures by 0.00 A. Peak 9070 from nnoeabs.peaks (4.44, 8.20, 128.13 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.99: HA2 GLY 32 + H VAL 29 OK 99 99 100 100 4.1-4.6 3.0/10813=88...(5) HA SER 9 - H VAL 29 far 0 82 0 - 7.2-7.2 Violated in 0 structures by 0.00 A. Peak 9079 from nnoeabs.peaks (8.01, 8.20, 128.13 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.98: H GLY 32 + H VAL 29 OK 98 99 100 100 3.4-3.5 10813=99, 8210/809=60...(10) Violated in 0 structures by 0.00 A. Peak 9080 from nnoeabs.peaks (9.02, 8.20, 128.13 ppm; 4.18 A increased from 3.94 A): 1 out of 2 assignments used, quality = 0.99: H SER 34 + H VAL 29 OK 99 99 100 100 3.7-4.0 6425/8181=84...(11) H ASP 26 - H VAL 29 far 0 91 0 - 9.5-9.6 Violated in 0 structures by 0.00 A. Peak 9081 from nnoeabs.peaks (8.21, 9.01, 117.64 ppm; 4.14 A increased from 3.90 A): 2 out of 3 assignments used, quality = 0.99: H VAL 29 + H SER 34 OK 94 94 100 100 3.7-4.0 9080=90, 8181/6425=78...(11) H THR 33 + H SER 34 OK 82 82 100 100 4.3-4.4 3.0/6425=86, 4.6=71...(6) H PHE 10 - H SER 34 far 0 59 0 - 7.8-7.9 Violated in 0 structures by 0.00 A. Peak 9096 from nnoeabs.peaks (1.01, 8.00, 109.20 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 33 + H GLY 32 OK 100 100 100 100 4.9-5.0 11214/10813=91...(5) HG12 ILE 11 - H GLY 32 far 0 68 0 - 9.6-9.7 Violated in 0 structures by 0.00 A. Peak 9102 from nnoeabs.peaks (1.82, 8.00, 109.20 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 29 + H GLY 32 OK 100 100 100 100 3.1-3.2 2.1/8210=95...(6) HB3 GLU 110 - H GLY 32 far 0 98 0 - 9.1-29.3 Violated in 0 structures by 0.00 A. Peak 9119 from nnoeabs.peaks (2.21, 9.01, 117.64 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.87: HG3 GLN 27 + H SER 34 OK 87 87 100 100 2.6-4.7 1.8/10349=86...(10) HB2 PRO 35 - H SER 34 far 0 85 0 - 6.3-6.7 Violated in 1 structures by 0.00 A. Peak 9120 from nnoeabs.peaks (1.98, 9.01, 117.64 ppm; 4.62 A increased from 4.10 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLN 27 + H SER 34 OK 99 100 100 99 4.1-4.5 3.0/10349=71...(7) HB2 GLN 27 + H SER 34 OK 89 100 90 99 5.1-5.2 3.0/10349=71...(7) HB2 LYS 31 - H SER 34 far 0 100 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 9121 from nnoeabs.peaks (1.84, 9.01, 117.64 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.85: HB VAL 29 + H SER 34 OK 85 85 100 100 3.7-4.4 2.1/8183=97, 4.0/9080=71...(6) HB3 GLU 110 - H SER 34 far 0 99 0 - 7.0-25.1 Violated in 0 structures by 0.00 A. Peak 9152 from nnoeabs.peaks (5.32, 9.28, 125.30 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 26 + H LEU 36 OK 100 100 100 100 2.2-2.5 8547=97, 9179/6447=59...(11) HA PHE 10 - H LEU 36 far 0 100 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 9179 from nnoeabs.peaks (5.32, 7.82, 106.16 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.98: HA ASP 26 + H THR 37 OK 98 100 100 98 3.5-3.8 8977=57, 8547/6447=50...(13) HA PHE 10 - H THR 37 far 0 100 0 - 7.7-8.0 Violated in 1 structures by 0.00 A. Peak 9194 from nnoeabs.peaks (0.21, 7.82, 106.16 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.88: QB ALA 24 + H THR 37 OK 88 99 100 89 4.3-4.6 3.5/8267=74...(6) Violated in 0 structures by 0.00 A. Peak 9195 from nnoeabs.peaks (0.86, 7.82, 106.16 ppm; 5.14 A increased from 4.33 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 51 + H THR 37 OK 96 100 100 96 4.9-5.1 9193/3.9=68, 8969=36...(8) QG2 VAL 25 + H THR 37 OK 94 95 100 99 5.4-5.6 2.1/8970=80, 4.0/8267=73...(7) QG1 VAL 69 - H THR 37 far 0 81 0 - 7.2-7.4 QD1 LEU 12 - H THR 37 far 0 94 0 - 7.4-7.6 QG1 VAL 103 - H THR 37 far 0 100 0 - 8.3-9.7 QG2 VAL 103 - H THR 37 far 0 75 0 - 8.6-10.2 QG2 ILE 11 - H THR 37 far 0 98 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 9209 from nnoeabs.peaks (0.77, 9.07, 121.99 ppm; 4.86 A): 2 out of 5 assignments used, quality = 0.98: QD1 ILE 23 + H PHE 40 OK 92 92 100 100 4.8-4.9 2.1/9212=81, 2.1/8905=76...(9) QG2 ILE 23 + H PHE 40 OK 78 79 100 99 5.0-5.2 4.0/8562=72, 3.2/9212=68...(6) QD2 LEU 109 - H PHE 40 far 0 92 0 - 9.1-18.1 QG2 VAL 69 - H PHE 40 far 0 100 0 - 9.4-9.6 QD2 LEU 36 - H PHE 40 far 0 96 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 9210 from nnoeabs.peaks (0.86, 9.07, 121.99 ppm; 4.89 A): 0 out of 9 assignments used, quality = 0.00: QD1 LEU 51 - H PHE 40 far 0 100 0 - 5.9-6.2 QD1 LEU 12 - H PHE 40 far 0 96 0 - 6.3-6.5 QG2 VAL 25 - H PHE 40 far 0 96 0 - 6.8-7.0 QD1 LEU 17 - H PHE 40 far 0 84 0 - 7.5-7.9 HG LEU 15 - H PHE 40 far 0 91 0 - 8.6-9.3 QG1 VAL 103 - H PHE 40 far 0 99 0 - 8.6-10.3 QD1 LEU 109 - H PHE 40 far 0 91 0 - 9.1-17.2 QD2 LEU 17 - H PHE 40 far 0 93 0 - 9.4-10.2 QG2 VAL 103 - H PHE 40 far 0 71 0 - 9.6-11.5 Violated in 20 structures by 0.24 A. Peak 9211 from nnoeabs.peaks (1.42, 9.07, 121.99 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 47 + H PHE 40 OK 100 100 100 100 4.1-4.5 8307/6486=65...(12) HG LEU 17 - H PHE 40 far 0 61 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 9212 from nnoeabs.peaks (1.72, 9.07, 121.99 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: HG12 ILE 23 + H PHE 40 OK 100 100 100 100 3.4-3.6 8906=77, 1.8/8905=73...(14) HB VAL 25 - H PHE 40 far 0 98 0 - 7.3-7.5 HB3 LEU 36 - H PHE 40 far 0 84 0 - 9.6-9.9 HG LEU 55 - H PHE 40 far 0 88 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 9221 from nnoeabs.peaks (4.25, 9.07, 121.99 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.99: HA ALA 24 + H PHE 40 OK 99 100 100 99 3.5-3.6 2.1/8279=79, 8973=60...(10) HA ALA 47 - H PHE 40 far 0 84 0 - 4.9-5.1 HA SER 38 - H PHE 40 far 0 97 0 - 5.4-5.7 HA LEU 109 - H PHE 40 far 0 100 0 - 9.4-19.5 Violated in 0 structures by 0.00 A. Peak 9225 from nnoeabs.peaks (5.60, 9.07, 121.99 ppm; 4.95 A increased from 4.66 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 22 + H PHE 40 OK 100 100 100 100 4.6-4.7 2.1/8280=94...(8) HA TRP 42 - H PHE 40 far 0 94 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 9232 from nnoeabs.peaks (1.61, 9.31, 123.27 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.97: HB2 ARG 44 + H PHE 41 OK 97 100 100 98 4.7-5.0 10899/6502=65...(6) HB2 GLN 50 - H PHE 41 far 0 99 0 - 6.3-6.7 HB3 PRO 43 - H PHE 41 far 0 82 0 - 10.0-10.0 Violated in 0 structures by 0.00 A. Peak 9233 from nnoeabs.peaks (1.44, 9.31, 123.27 ppm; 4.18 A increased from 3.93 A): 2 out of 2 assignments used, quality = 0.99: QB ALA 47 + H PHE 41 OK 97 99 100 98 4.2-4.7 10401/6494=50...(11) QB ALA 45 + H PHE 41 OK 67 77 100 87 3.5-4.1 9261=58, 8293/9232=32...(8) Violated in 0 structures by 0.00 A. Peak 9235 from nnoeabs.peaks (0.30, 9.30, 125.35 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.99: QG1 VAL 21 + H TRP 42 OK 99 100 100 99 3.9-4.5 8880=78, 8117/3.8=62...(7) QD2 LEU 55 - H LEU 36 far 0 68 0 - 5.4-5.5 QG2 ILE 61 - H LEU 36 far 0 57 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 9236 from nnoeabs.peaks (0.12, 9.30, 125.35 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 22 + H TRP 42 OK 99 100 100 99 3.5-3.8 8132/6509=74...(9) QD1 LEU 15 - H TRP 42 far 0 100 0 - 6.8-7.9 QD1 ILE 61 - H LEU 36 far 0 72 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 9237 from nnoeabs.peaks (1.44, 9.30, 125.35 ppm; 4.13 A): 2 out of 7 assignments used, quality = 0.99: QB ALA 47 + H TRP 42 OK 95 99 100 96 3.9-4.4 8314=40, 9293/9235=38...(11) HB2 LEU 36 + H LEU 36 OK 71 71 100 100 2.4-2.7 4.0=100 QB ALA 45 - H TRP 42 far 0 71 0 - 5.3-5.7 HG13 ILE 11 - H LEU 36 far 0 81 0 - 6.2-8.9 HG3 LYS 58 - H LEU 36 far 0 58 0 - 8.9-9.6 HB ILE 77 - H TRP 42 far 0 84 0 - 9.0-9.7 QB ALA 57 - H LEU 36 far 0 85 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9241 from nnoeabs.peaks (8.70, 9.30, 125.35 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.97: H VAL 21 + H TRP 42 OK 92 93 100 99 3.1-3.6 8877=92, 4.0/9235=72...(5) H ALA 45 + H TRP 42 OK 58 61 100 94 4.1-4.3 8294/3.0=57, 9267/4.8=38...(8) Violated in 0 structures by 0.00 A. Peak 9255 from nnoeabs.peaks (5.62, 7.59, 125.96 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.84: HA TRP 42 + H ARG 44 OK 84 100 100 84 2.3-2.4 8294/6540=56...(5) HA ALA 22 - H ARG 44 far 0 96 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 9260 from nnoeabs.peaks (9.32, 8.73, 120.28 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.99: H PHE 41 + H ALA 45 OK 91 98 100 94 4.5-5.1 9261/2.9=76...(6) H TRP 42 + H ALA 45 OK 91 92 100 99 4.1-4.3 3.0/8294=87, 4.8/9267=53...(8) Violated in 0 structures by 0.00 A. Peak 9263 from nnoeabs.peaks (8.16, 7.86, 125.61 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.96: HE3 TRP 42 + H ALA 47 OK 96 100 100 96 2.7-3.0 9262/6561=52...(10) Violated in 0 structures by 0.00 A. Peak 9264 from nnoeabs.peaks (7.34, 7.86, 125.61 ppm; 5.16 A increased from 4.86 A): 1 out of 3 assignments used, quality = 0.99: HZ3 TRP 42 + H ALA 47 OK 99 99 100 100 4.8-5.1 2.5/9263=94...(7) HE22 GLN 50 - H ALA 47 far 0 100 0 - 6.0-7.7 HE22 GLN 81 - H ALA 47 far 0 99 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 9267 from nnoeabs.peaks (3.52, 8.73, 120.28 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.99: HA PRO 43 + H ALA 45 OK 99 100 100 99 3.6-4.4 2.5/8294=86, 3.6/6540=74...(9) HD2 PRO 43 - H ALA 45 far 0 98 0 - 5.8-6.9 Violated in 0 structures by 0.00 A. Peak 9268 from nnoeabs.peaks (3.16, 8.73, 120.28 ppm; 4.64 A): 3 out of 4 assignments used, quality = 1.00: HB2 TRP 42 + H ALA 45 OK 94 100 100 94 3.3-4.0 3.0/8294=76, 4.7/9267=45...(8) HB3 TRP 42 + H ALA 45 OK 94 100 100 94 4.2-4.7 3.0/8294=76, 4.7/9267=45...(8) HB3 ASN 85 + H ASN 85 OK 28 28 100 100 2.4-3.6 4.0=100 HB3 ASP 46 - H ALA 45 far 0 100 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 9287 from nnoeabs.peaks (8.44, 7.86, 125.61 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.75: H TRP 48 + H ALA 47 OK 75 79 100 94 2.8-3.0 4.6=92, ~9315=34 H ALA 22 - H ALA 47 far 0 97 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9290 from nnoeabs.peaks (5.63, 7.86, 125.61 ppm; 5.37 A): 1 out of 2 assignments used, quality = 0.95: HA TRP 42 + H ALA 47 OK 95 96 100 99 4.0-4.5 4.7/9263=70, 8313/2.9=44...(11) HA ALA 22 - H ALA 47 far 0 79 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 9294 from nnoeabs.peaks (3.58, 8.41, 115.44 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 48 + H TRP 48 OK 100 100 100 100 2.7-2.7 3.0=100 HA THR 74 - H TRP 48 far 0 68 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 9303 from nnoeabs.peaks (7.58, 8.41, 115.44 ppm; 4.89 A): 1 out of 3 assignments used, quality = 0.99: H GLN 49 + H TRP 48 OK 99 99 100 100 2.9-3.0 4.6=100 H ARG 44 - H TRP 48 far 0 97 0 - 8.7-9.3 HD21 ASN 78 - H TRP 48 far 0 96 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 9306 from nnoeabs.peaks (8.96, 9.51, 130.48 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.96: H ASN 71 + HE1 TRP 48 OK 96 96 100 100 4.2-4.3 9847=81, 3.6/9341=75...(13) H ALA 24 - HE1 TRP 48 far 0 65 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 9307 from nnoeabs.peaks (8.48, 9.51, 130.48 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.98: H THR 74 + HE1 TRP 48 OK 98 99 100 99 3.1-3.2 8657=58, 3.6/9345=50...(12) H ASN 78 - HE1 TRP 48 far 0 73 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 9308 from nnoeabs.peaks (8.38, 9.51, 130.48 ppm; 4.56 A increased from 4.29 A): 1 out of 4 assignments used, quality = 1.00: H ALA 73 + HE1 TRP 48 OK 100 100 100 100 4.3-4.4 2.9/9345=84...(14) H TRP 48 - HE1 TRP 48 far 0 71 0 - 6.8-6.9 H ILE 77 - HE1 TRP 48 far 0 70 0 - 7.7-7.8 H ASP 53 - HE1 TRP 48 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 9309 from nnoeabs.peaks (8.17, 9.51, 130.48 ppm; 4.78 A increased from 4.50 A): 1 out of 1 assignment used, quality = 0.99: H LEU 70 + HE1 TRP 48 OK 99 99 100 100 4.7-4.8 9830=98, 3.0/9341=86...(15) Violated in 0 structures by 0.00 A. Peak 9310 from nnoeabs.peaks (7.08, 9.51, 130.48 ppm; 5.19 A increased from 4.37 A): 1 out of 4 assignments used, quality = 1.00: HH2 TRP 48 + HE1 TRP 48 OK 100 100 100 100 5.0-5.0 5.0=100 HE22 GLN 72 - HE1 TRP 48 far 0 96 0 - 7.9-8.5 QE PHE 40 - HE1 TRP 48 far 0 99 0 - 8.9-10.1 HD21 ASN 68 - HE1 TRP 48 far 0 90 0 - 9.9-10.0 Violated in 0 structures by 0.00 A. Peak 9312 from nnoeabs.peaks (1.42, 8.41, 115.44 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 47 + H TRP 48 OK 98 98 100 100 2.0-2.3 3.6=100 HB3 LYS 52 - H TRP 48 far 0 92 0 - 7.1-8.4 HG LEU 70 - H TRP 48 far 0 98 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 9313 from nnoeabs.peaks (0.60, 8.41, 115.44 ppm; 5.17 A): 1 out of 3 assignments used, quality = 0.96: QD1 ILE 77 + H TRP 48 OK 96 96 100 100 2.7-2.9 11125=96, 8546/8744=89...(9) QD2 LEU 12 - H TRP 48 far 0 82 0 - 7.9-8.3 HB2 PRO 43 - H TRP 48 far 0 95 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 9339 from nnoeabs.peaks (4.61, 9.51, 130.48 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.95: HA ASN 71 + HE1 TRP 48 OK 95 95 100 100 3.7-4.0 2.9/9306=74...(6) Violated in 0 structures by 0.00 A. Peak 9340 from nnoeabs.peaks (4.24, 9.51, 130.48 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.99: HB THR 74 + HE1 TRP 48 OK 99 99 100 100 3.1-3.4 7047/9307=72...(12) HA ALA 47 - HE1 TRP 48 far 0 99 0 - 9.6-9.7 Violated in 0 structures by 0.00 A. Peak 9341 from nnoeabs.peaks (3.96, 9.51, 130.48 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.98: HA LEU 70 + HE1 TRP 48 OK 98 98 100 100 2.6-2.7 9831=63, 2.9/9344=56...(20) Violated in 0 structures by 0.00 A. Peak 9342 from nnoeabs.peaks (3.57, 9.51, 130.48 ppm; 4.76 A increased from 4.01 A): 2 out of 3 assignments used, quality = 1.00: HA TRP 48 + HE1 TRP 48 OK 98 99 100 99 4.8-4.9 9298/2.6=80...(9) HA THR 74 + HE1 TRP 48 OK 81 81 100 100 4.5-4.6 3.0/9307=85, 8502=81...(12) HA ILE 67 - HE1 TRP 48 far 0 99 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 9343 from nnoeabs.peaks (1.94, 9.51, 130.48 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.99: HB3 LEU 70 + HE1 TRP 48 OK 99 99 100 100 3.4-3.5 1.8/9344=77, 2.9/9341=59...(28) HB VAL 69 - HE1 TRP 48 far 0 73 0 - 7.0-7.2 HB3 GLU 101 - HE1 TRP 48 far 0 100 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 9344 from nnoeabs.peaks (1.61, 9.51, 130.48 ppm; 3.55 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 70 + HE1 TRP 48 OK 99 99 100 100 1.9-2.0 1.8/9343=69, 9835=55...(24) HB2 ARG 66 - HE1 TRP 48 far 0 85 0 - 8.0-8.7 HG13 ILE 67 - HE1 TRP 48 far 0 96 0 - 9.2-9.4 HB2 LEU 55 - HE1 TRP 48 far 0 99 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 9345 from nnoeabs.peaks (1.54, 9.51, 130.48 ppm; 3.43 A increased from 3.23 A): 1 out of 3 assignments used, quality = 0.95: QB ALA 73 + HE1 TRP 48 OK 95 95 100 100 3.2-3.4 8501=67, 8478/2.6=59...(20) HG13 ILE 77 - HE1 TRP 48 far 0 75 0 - 7.4-7.7 HG LEU 12 - HE1 TRP 48 far 0 97 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 9346 from nnoeabs.peaks (1.42, 9.51, 130.48 ppm; 4.59 A increased from 4.08 A): 1 out of 3 assignments used, quality = 0.98: HG LEU 70 + HE1 TRP 48 OK 98 98 100 100 4.4-4.6 2.1/9350=94, 2.9/9344=83...(23) HB3 LYS 52 - HE1 TRP 48 far 0 92 0 - 5.3-7.9 QB ALA 47 - HE1 TRP 48 far 0 98 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 9347 from nnoeabs.peaks (0.97, 9.51, 130.48 ppm; 4.81 A increased from 4.53 A): 2 out of 5 assignments used, quality = 0.99: QG2 THR 74 + HE1 TRP 48 OK 99 99 100 100 4.6-4.8 2.1/9340=81...(11) HG3 LYS 52 + HE1 TRP 48 OK 23 75 35 88 5.0-8.1 9414/9350=45...(8) QG1 VAL 25 - HE1 TRP 48 far 0 100 0 - 8.4-8.7 QG1 VAL 76 - HE1 TRP 48 far 0 77 0 - 8.6-8.8 QG2 THR 37 - HE1 TRP 48 far 0 84 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 9348 from nnoeabs.peaks (0.78, 9.51, 130.48 ppm; 5.59 A increased from 5.26 A): 4 out of 5 assignments used, quality = 1.00: QG2 VAL 69 + HE1 TRP 48 OK 100 100 100 100 5.2-5.4 8577/9350=90...(10) QD1 ILE 23 + HE1 TRP 48 OK 79 79 100 100 5.1-5.4 9325/2.6=79...(9) QD1 ILE 67 + HE1 TRP 48 OK 56 94 60 99 6.1-6.3 8432/9343=83...(4) HG2 LYS 52 + HE1 TRP 48 OK 54 99 55 98 5.0-7.8 9413/9350=78...(8) QG2 ILE 23 - HE1 TRP 48 far 0 92 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 9349 from nnoeabs.peaks (0.44, 9.51, 130.48 ppm; 4.32 A increased from 3.84 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 70 + HE1 TRP 48 OK 95 95 100 100 4.0-4.2 2.1/9350=89, 9846=80...(25) QD2 LEU 51 + HE1 TRP 48 OK 58 61 100 94 4.1-4.4 9410/9350=46...(9) HB2 LYS 52 - HE1 TRP 48 far 0 70 0 - 6.3-8.2 QD1 LEU 55 - HE1 TRP 48 far 0 99 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 9350 from nnoeabs.peaks (-0.13, 9.51, 130.48 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HE1 TRP 48 OK 100 100 100 100 2.7-2.9 9845=79, 3.1/9344=53...(28) Violated in 0 structures by 0.00 A. Peak 9351 from nnoeabs.peaks (8.06, 7.57, 118.11 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.98: H GLN 50 + H GLN 49 OK 98 98 100 100 2.7-2.9 8320=98, 6584/9367=49...(6) H LYS 52 - H GLN 49 far 0 77 0 - 4.8-5.0 Violated in 0 structures by 0.00 A. Peak 9352 from nnoeabs.peaks (7.29, 7.57, 118.11 ppm; 4.15 A): 1 out of 3 assignments used, quality = 0.96: HE3 TRP 48 + H GLN 49 OK 96 98 100 99 3.1-3.6 8316/3.0=64, 11077=54...(9) HZ2 TRP 48 - H GLN 49 far 0 68 0 - 7.5-7.8 HH2 TRP 42 - H GLN 49 far 0 99 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 9353 from nnoeabs.peaks (8.43, 7.57, 118.11 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.95: H TRP 48 + H GLN 49 OK 95 98 100 97 2.9-3.0 4.6=90, 4.0/10817=52...(4) H LEU 55 - H GLN 49 far 0 96 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 9363 from nnoeabs.peaks (8.40, 6.75, 115.43 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.94: H ASP 53 + HE21 GLN 49 OK 94 98 100 96 4.0-4.3 9448/1.7=58...(6) H TRP 48 - HE21 GLN 49 far 0 95 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 9365 from nnoeabs.peaks (2.79, 7.57, 118.11 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: HB2 TRP 48 + H GLN 49 OK 100 100 100 100 2.4-3.8 4.6=100 HE3 LYS 52 - H GLN 49 far 0 98 0 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 9366 from nnoeabs.peaks (2.45, 7.57, 118.11 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLN 49 + H GLN 49 OK 100 100 100 100 4.1-4.4 9361=99, 2.9/9367=82...(10) HB2 ASP 53 - H GLN 49 far 0 77 0 - 6.6-9.0 Violated in 0 structures by 0.00 A. Peak 9367 from nnoeabs.peaks (2.25, 7.57, 118.11 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 49 + H GLN 49 OK 100 100 100 100 2.6-3.0 3.9=88, 1.8/9356=71...(10) Violated in 0 structures by 0.00 A. Peak 9368 from nnoeabs.peaks (2.06, 7.57, 118.11 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 49 + H GLN 49 OK 100 100 100 100 2.2-2.4 3.9=100 HG3 GLN 50 - H GLN 49 far 0 96 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 9376 from nnoeabs.peaks (1.18, 6.75, 115.43 ppm; 4.21 A increased from 3.96 A): 1 out of 1 assignment used, quality = 0.87: HD3 LYS 52 + HE21 GLN 49 OK 87 87 100 100 2.0-4.2 1.8/8318=91, 9436=80...(13) Violated in 1 structures by 0.00 A. Peak 9377 from nnoeabs.peaks (1.18, 7.83, 115.43 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.92: HD3 LYS 52 + HE22 GLN 49 OK 92 92 100 100 2.4-4.1 1.8/8319=91, 9376/1.7=84...(13) Violated in 0 structures by 0.00 A. Peak 9378 from nnoeabs.peaks (0.96, 6.75, 115.43 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.92: HG3 LYS 52 + HE21 GLN 49 OK 92 92 100 100 2.5-5.1 2.9/8318=100...(11) QG2 THR 37 - HE21 GLN 49 far 0 63 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 9379 from nnoeabs.peaks (3.58, 7.57, 118.11 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: HA TRP 48 + H GLN 49 OK 100 100 100 100 3.5-3.6 3.6=100 HA THR 74 - H GLN 49 far 0 63 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 9380 from nnoeabs.peaks (1.40, 6.75, 115.43 ppm; 5.45 A): 1 out of 3 assignments used, quality = 1.00: HB3 LYS 52 + HE21 GLN 49 OK 100 100 100 100 2.7-5.2 3.4/8318=92, 3.4/9376=83...(12) HG LEU 70 - HE21 GLN 49 far 0 75 0 - 8.2-9.0 QB ALA 47 - HE21 GLN 49 far 0 75 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 9381 from nnoeabs.peaks (1.39, 7.83, 115.43 ppm; 5.59 A): 1 out of 3 assignments used, quality = 1.00: HB3 LYS 52 + HE22 GLN 49 OK 100 100 100 100 3.4-5.5 3.4/8319=90, 9380/1.7=85...(11) QB ALA 47 - HE22 GLN 49 far 0 68 0 - 7.7-8.0 HG LEU 70 - HE22 GLN 49 far 0 68 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 9382 from nnoeabs.peaks (8.41, 8.05, 116.44 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.99: H TRP 48 + H GLN 50 OK 95 100 100 96 4.5-4.6 3.6/6581=76, 4.6/8320=66...(4) H ASP 53 + H GLN 50 OK 82 88 100 93 4.9-5.3 6657/3.0=74...(3) H LEU 55 - H GLN 50 far 0 68 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 9383 from nnoeabs.peaks (7.11, 8.05, 116.44 ppm; 5.23 A increased from 4.92 A): 1 out of 3 assignments used, quality = 0.98: QD PHE 40 + H GLN 50 OK 98 99 100 100 4.9-5.2 10757/3.0=65...(13) HZ PHE 40 - H GLN 50 far 0 85 0 - 6.4-6.7 HH2 TRP 48 - H GLN 50 far 0 61 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 9389 from nnoeabs.peaks (7.12, 6.37, 109.01 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 40 + HE21 GLN 50 OK 97 100 100 98 2.6-4.4 9390/1.7=64, 9388/3.5=46...(8) HZ PHE 40 - HE21 GLN 50 far 0 79 0 - 5.1-6.9 Violated in 3 structures by 0.01 A. Peak 9390 from nnoeabs.peaks (7.12, 7.35, 109.01 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 40 + HE22 GLN 50 OK 99 100 100 100 1.9-4.9 9389/1.7=86, 9388/3.5=53...(8) HZ PHE 40 - HE22 GLN 50 poor 8 79 35 28 5.0-7.1 9385/4.5=16, 10767/4.5=14 Violated in 4 structures by 0.02 A. Peak 9393 from nnoeabs.peaks (1.48, 6.37, 109.01 ppm; 3.64 A increased from 3.42 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 45 + HE21 GLN 50 OK 99 99 100 99 3.3-3.7 8296=94, 9394/1.7=76...(5) HB3 LEU 51 - HE21 GLN 50 far 0 99 0 - 8.4-9.9 QB ALA 57 - HE21 GLN 50 far 0 68 0 - 9.7-10.1 Violated in 2 structures by 0.00 A. Peak 9394 from nnoeabs.peaks (1.48, 7.35, 109.01 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 45 + HE22 GLN 50 OK 97 99 100 98 2.4-3.7 8297=83, 9393/1.7=70...(6) HB3 LEU 51 - HE22 GLN 50 far 0 99 0 - 7.2-9.3 QB ALA 57 - HE22 GLN 50 far 0 68 0 - 9.1-10.4 Violated in 1 structures by 0.01 A. Peak 9395 from nnoeabs.peaks (1.45, 8.05, 116.44 ppm; 4.83 A increased from 4.30 A): 3 out of 5 assignments used, quality = 0.96: QB ALA 47 + H GLN 50 OK 83 84 100 99 4.7-4.8 2.1/6581=91, 8306/4.0=52...(5) HB3 LEU 51 + H GLN 50 OK 58 75 95 81 4.6-5.4 4.0/6617=73, 1459/3.6=18 QB ALA 45 + H GLN 50 OK 42 96 45 98 5.3-5.6 9392/1430=58...(6) HG LEU 70 - H GLN 50 far 0 84 0 - 9.1-9.4 QB ALA 57 - H GLN 50 far 0 98 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 9397 from nnoeabs.peaks (0.77, 7.70, 120.84 ppm; 4.67 A): 2 out of 8 assignments used, quality = 0.99: QD1 ILE 23 + H LEU 51 OK 97 97 100 100 3.7-3.9 8907=93, 8144/1474=74...(10) HG2 LYS 52 + H LEU 51 OK 67 85 85 93 3.5-5.5 4.9/6631=56, 4.8/6658=47...(7) QG2 ILE 23 - H LEU 51 far 0 68 0 - 6.6-6.8 QG2 VAL 69 - H LEU 51 far 0 99 0 - 7.0-7.2 QG2 ILE 90 - H LYS 84 far 0 45 0 - 7.3-8.2 QD2 LEU 36 - H LEU 51 far 0 90 0 - 8.9-9.2 HB3 LEU 55 - H LEU 51 far 0 100 0 - 9.1-9.5 QD1 ILE 67 - H LEU 51 far 0 71 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 9404 from nnoeabs.peaks (3.58, 7.70, 120.84 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: HA TRP 48 + H LEU 51 OK 100 100 100 100 3.6-3.8 9301=79, 9424/6631=59...(10) HA THR 74 - H LEU 51 far 0 71 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 9424 from nnoeabs.peaks (3.58, 8.09, 121.12 ppm; 4.66 A increased from 4.38 A): 1 out of 4 assignments used, quality = 0.99: HA TRP 48 + H LYS 52 OK 99 100 100 99 3.9-4.7 8463/8327=66...(7) HA ILE 67 - H LYS 52 far 0 95 0 - 8.1-9.0 HA GLU 56 - H LYS 52 far 0 68 0 - 8.1-8.4 HA THR 74 - H LYS 52 far 0 68 0 - 9.1-9.9 Violated in 1 structures by 0.00 A. Peak 9448 from nnoeabs.peaks (7.83, 8.38, 117.91 ppm; 5.32 A increased from 4.73 A): 1 out of 2 assignments used, quality = 1.00: HE22 GLN 49 + H ASP 53 OK 100 100 100 100 4.8-5.2 1.7/9363=93...(5) H ALA 47 - H ASP 53 far 0 77 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 9451 from nnoeabs.peaks (1.94, 8.38, 117.91 ppm; 4.91 A): 1 out of 6 assignments used, quality = 0.71: HB2 GLU 56 + H ASP 53 OK 71 73 100 97 4.4-4.7 1710/3.0=58, ~1718=56...(9) HB3 GLN 19 - H ASP 18 far 0 59 0 - 5.7-6.5 HB2 GLU 54 - H ASP 53 far 0 99 0 - 5.8-6.1 HB3 LEU 70 - H ASP 53 far 0 100 0 - 8.5-9.4 HB3 GLN 89 - H ASP 18 far 0 90 0 - 9.2-13.5 HB VAL 69 - H ASP 53 far 0 84 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9452 from nnoeabs.peaks (7.09, 7.64, 120.64 ppm; 4.59 A increased from 4.08 A): 2 out of 4 assignments used, quality = 0.99: HZ PHE 40 + H GLU 54 OK 96 100 100 96 4.3-4.5 10765/6688=53...(8) QE PHE 40 + H GLU 54 OK 85 90 100 95 4.4-4.9 10885/6686=50...(11) QD PHE 40 - H GLU 54 far 0 61 0 - 6.2-6.5 QE PHE 99 - H LYS 84 far 0 47 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9453 from nnoeabs.peaks (6.98, 7.64, 120.64 ppm; 4.78 A increased from 4.25 A): 1 out of 2 assignments used, quality = 1.00: H ALA 57 + H GLU 54 OK 100 100 100 100 4.5-4.7 1621/3.0=81...(10) H LYS 58 - H GLU 54 far 0 77 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 9469 from nnoeabs.peaks (1.74, 7.64, 120.64 ppm; 4.57 A): 1 out of 5 assignments used, quality = 0.96: HG LEU 55 + H GLU 54 OK 96 100 100 96 4.1-4.6 6705/6689=87...(6) HB VAL 25 - H GLU 54 far 0 77 0 - 6.7-7.3 HB3 LEU 36 - H GLU 54 far 0 99 0 - 7.9-8.6 HB3 ARG 66 - H GLU 54 far 0 88 0 - 8.2-8.9 HG12 ILE 23 - H GLU 54 far 0 95 0 - 8.5-8.9 Violated in 2 structures by 0.00 A. Peak 9470 from nnoeabs.peaks (0.81, 7.64, 120.64 ppm; 3.83 A): 1 out of 9 assignments used, quality = 0.71: HB2 LYS 84 + H LYS 84 OK 71 72 100 100 2.2-3.6 4.0=87, 1.8/3227=64...(18) HG2 LYS 52 - H GLU 54 far 0 91 0 - 4.5-6.4 QD2 LEU 36 - H GLU 54 far 0 87 0 - 6.6-7.2 QG2 VAL 25 - H GLU 54 far 0 71 0 - 6.7-7.2 QG2 VAL 69 - H GLU 54 far 0 68 0 - 7.0-7.5 QG2 ILE 90 - H LYS 84 far 0 57 0 - 7.3-8.2 QD1 LEU 12 - H GLU 54 far 0 73 0 - 8.6-9.1 QD1 ILE 67 - H GLU 54 far 0 98 0 - 8.8-9.4 QG2 ILE 23 - H GLU 54 far 0 99 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 9471 from nnoeabs.peaks (0.45, 7.64, 120.64 ppm; 5.84 A increased from 4.92 A): 4 out of 4 assignments used, quality = 1.00: QD1 LEU 55 + H GLU 54 OK 96 96 100 100 5.4-5.8 2.1/9469=97...(7) HB2 LYS 52 + H GLU 54 OK 83 84 100 99 5.0-5.7 4.7/6680=88, 4.0/6654=81...(4) QD2 LEU 51 + H GLU 54 OK 75 77 100 97 6.1-6.4 3.9/6677=89...(4) QD1 LEU 70 + H GLU 54 OK 51 85 75 80 6.0-6.6 10482/6654=66...(4) Violated in 0 structures by 0.00 A. Peak 9505 from nnoeabs.peaks (0.86, 8.44, 116.32 ppm; 3.97 A): 1 out of 7 assignments used, quality = 0.98: QD1 LEU 51 + H LEU 55 OK 98 100 100 98 3.3-3.7 8071/6707=69...(11) QG2 VAL 25 - H LEU 55 far 0 99 0 - 5.8-5.9 QG2 VAL 102 - H ASN 78 far 0 92 0 - 6.9-7.2 QG1 VAL 69 - H LEU 55 far 0 65 0 - 7.2-7.5 QD1 LEU 12 - H ASN 78 far 0 97 0 - 7.6-8.0 QD1 LEU 12 - H LEU 55 far 0 99 0 - 8.0-8.5 HD2 LYS 98 - H ASN 78 far 0 96 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 9512 from nnoeabs.peaks (1.44, 8.54, 118.78 ppm; 4.35 A increased from 3.87 A): 1 out of 6 assignments used, quality = 1.00: QB ALA 57 + H GLU 56 OK 100 100 100 100 4.2-4.3 9534=93, 6740/6733=91...(10) HG13 ILE 11 - H SER 9 far 0 47 0 - 6.8-7.3 HG LEU 70 - H GLU 56 far 0 96 0 - 6.8-7.3 HG3 LYS 58 - H GLU 56 far 0 87 0 - 7.5-7.6 HB2 LEU 36 - H SER 9 far 0 50 0 - 8.5-8.9 HB2 LEU 36 - H GLU 56 far 0 96 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 9535 from nnoeabs.peaks (7.66, 6.98, 118.03 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.92: H GLU 54 + H ALA 57 OK 92 92 100 100 4.5-4.7 3.0/1621=96, 9453=92...(10) H LEU 51 - H ALA 57 far 0 61 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 9538 from nnoeabs.peaks (1.57, 6.98, 118.03 ppm; 4.83 A increased from 4.29 A): 2 out of 5 assignments used, quality = 0.98: HB3 LYS 58 + H ALA 57 OK 95 96 100 99 4.8-5.3 3.0/9539=68, 6748/4.5=63...(14) HB2 LEU 55 + H ALA 57 OK 65 65 100 99 4.7-4.8 3.0/6732=73...(8) HB2 ARG 66 - H ALA 57 far 0 91 0 - 6.7-7.3 HG LEU 36 - H ALA 57 far 0 100 0 - 7.2-7.5 QB ALA 62 - H ALA 57 far 0 99 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 9539 from nnoeabs.peaks (1.28, 6.98, 118.03 ppm; 4.69 A increased from 4.42 A): 1 out of 3 assignments used, quality = 1.00: HG2 LYS 58 + H ALA 57 OK 100 100 100 100 4.2-4.6 9543/6740=93...(9) HB ILE 61 - H ALA 57 far 0 98 0 - 5.5-6.5 HG2 ARG 66 - H ALA 57 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 9540 from nnoeabs.peaks (0.33, 6.98, 118.03 ppm; 5.51 A increased from 4.90 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 55 + H ALA 57 OK 100 100 100 100 5.2-5.3 1696/6732=87...(10) QG2 ILE 61 + H ALA 57 OK 66 100 90 73 5.3-6.1 6721/6733=39...(5) HB2 LYS 58 - H ALA 57 far 0 94 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 9545 from nnoeabs.peaks (0.09, 7.01, 118.78 ppm; 4.13 A increased from 3.89 A): 1 out of 1 assignment used, quality = 0.96: QD1 ILE 61 + H LYS 58 OK 96 96 100 100 4.1-4.2 8377/6748=64...(14) Violated in 3 structures by 0.01 A. Peak 9560 from nnoeabs.peaks (3.55, 7.01, 118.78 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.81: HA GLU 56 + H LYS 58 OK 81 100 100 81 4.0-4.2 3.0/9577=61...(4) HB3 TRP 60 - H LYS 58 far 0 87 0 - 8.3-8.4 Violated in 0 structures by 0.00 A. Peak 9561 from nnoeabs.peaks (3.72, 7.01, 118.78 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.98: HA LEU 55 + H LYS 58 OK 98 98 100 100 3.4-3.6 3.6/9577=50...(13) Violated in 0 structures by 0.00 A. Peak 9577 from nnoeabs.peaks (8.56, 7.01, 118.78 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.95: H GLU 56 + H LYS 58 OK 95 97 100 98 4.2-4.4 3.0/9560=64...(6) Violated in 4 structures by 0.00 A. Peak 9581 from nnoeabs.peaks (7.00, 10.44, 130.59 ppm; 5.54 A increased from 4.67 A): 2 out of 4 assignments used, quality = 1.00: H LYS 58 + HE1 TRP 60 OK 100 100 100 100 5.2-5.5 3.0/9585=88, 3.7/9600=83...(12) H ILE 61 + HE1 TRP 60 OK 71 71 100 100 5.3-5.6 9578/2.6=92, 5.0/9601=70...(8) QD PHE 10 - HE1 TRP 60 far 0 63 0 - 7.2-7.4 H ALA 57 - HE1 TRP 60 far 0 82 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 9582 from nnoeabs.peaks (6.90, 10.44, 130.59 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.93: H TRP 60 + HE1 TRP 60 OK 93 93 100 100 4.3-4.4 6783/2.6=84, 10270=58...(10) Violated in 0 structures by 0.00 A. Peak 9583 from nnoeabs.peaks (7.28, 10.44, 130.59 ppm; 3.69 A): 0 out of 3 assignments used, quality = 0.00: HH2 TRP 60 - HE1 TRP 60 far 0 93 0 - 5.0-5.0 QE PHE 10 - HE1 TRP 60 far 0 82 0 - 5.2-5.4 HE3 TRP 60 - HE1 TRP 60 far 0 88 0 - 5.3-5.3 Violated in 20 structures by 0.63 A. Peak 9585 from nnoeabs.peaks (4.09, 10.44, 130.59 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.99: HA LYS 58 + HE1 TRP 60 OK 99 99 100 100 4.2-4.6 3.0/9600=68, 9568/2.6=65...(16) HB THR 8 - HE1 TRP 60 far 0 96 0 - 7.6-8.1 Violated in 4 structures by 0.01 A. Peak 9591 from nnoeabs.peaks (3.00, 10.44, 130.59 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HE1 TRP 60 OK 100 100 100 100 3.8-5.0 3.0/9594=75...(21) HB2 TRP 60 + HE1 TRP 60 OK 70 71 100 98 4.8-4.8 5.3=64, 1883/2.6=62...(6) Violated in 0 structures by 0.00 A. Peak 9592 from nnoeabs.peaks (2.87, 10.44, 130.59 ppm; 5.48 A): 1 out of 2 assignments used, quality = 0.99: HE2 LYS 58 + HE1 TRP 60 OK 99 99 100 100 3.7-4.6 10759=98, 3.0/9594=93...(21) HD3 ARG 66 - HE1 TRP 60 far 0 71 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 9593 from nnoeabs.peaks (3.57, 10.44, 130.59 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: HB3 TRP 60 + HE1 TRP 60 OK 100 100 100 100 5.2-5.3 5.3=100 HA GLU 56 - HE1 TRP 60 far 0 81 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 9594 from nnoeabs.peaks (1.60, 10.44, 130.59 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.94: HD2 LYS 58 + HE1 TRP 60 OK 94 94 100 100 2.5-4.0 1.8/9596=60...(24) HG LEU 36 - HE1 TRP 60 far 0 63 0 - 5.7-5.9 HB2 LEU 55 - HE1 TRP 60 far 0 100 0 - 8.4-8.9 QB ALA 62 - HE1 TRP 60 far 0 82 0 - 8.8-9.0 Violated in 1 structures by 0.00 A. Peak 9595 from nnoeabs.peaks (1.47, 10.44, 130.59 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 58 + HE1 TRP 60 OK 100 100 100 100 1.9-2.2 1.8/9597=64...(23) QB ALA 57 - HE1 TRP 60 far 0 73 0 - 6.0-6.4 HB2 LEU 36 - HE1 TRP 60 far 0 96 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 9596 from nnoeabs.peaks (1.36, 10.44, 130.59 ppm; 4.46 A increased from 4.20 A): 1 out of 1 assignment used, quality = 1.00: HD3 LYS 58 + HE1 TRP 60 OK 100 100 100 100 2.5-4.4 1.8/9594=90, 3.0/9595=71...(22) Violated in 0 structures by 0.00 A. Peak 9597 from nnoeabs.peaks (1.29, 10.44, 130.59 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.98: HG2 LYS 58 + HE1 TRP 60 OK 98 98 100 100 3.6-3.8 1.8/9595=87, 3.0/9594=74...(21) HB ILE 61 - HE1 TRP 60 far 0 92 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 9598 from nnoeabs.peaks (1.16, 10.44, 130.59 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 36 + HE1 TRP 60 OK 100 100 100 100 3.2-3.5 8239/2.8=76, 10352=63...(15) HG3 ARG 66 - HE1 TRP 60 far 0 88 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 9599 from nnoeabs.peaks (0.79, 10.44, 130.59 ppm; 5.24 A increased from 4.66 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 36 + HE1 TRP 60 OK 100 100 100 100 4.8-5.0 2.1/9598=98, 9146/2.8=92...(14) HB3 LEU 55 - HE1 TRP 60 far 0 90 0 - 7.0-7.6 QG1 VAL 29 - HE1 TRP 60 far 0 59 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9600 from nnoeabs.peaks (0.37, 10.44, 130.59 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.96: HB2 LYS 58 + HE1 TRP 60 OK 96 96 100 100 2.3-2.5 3.0/9595=62, 3.6/9594=56...(18) QG2 ILE 61 - HE1 TRP 60 far 0 79 0 - 5.6-6.6 QD2 LEU 55 - HE1 TRP 60 far 0 65 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 9601 from nnoeabs.peaks (0.09, 10.44, 130.59 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 61 + HE1 TRP 60 OK 100 100 100 100 2.6-3.0 8251/9598=57...(21) Violated in 0 structures by 0.00 A. Peak 9618 from nnoeabs.peaks (1.56, 6.97, 123.95 ppm; 3.98 A): 1 out of 5 assignments used, quality = 0.96: HB3 LYS 58 + H ILE 61 OK 96 98 100 98 3.2-3.6 8377/6804=68...(12) QB ALA 62 - H ILE 61 far 0 99 0 - 5.4-5.6 HB2 LEU 55 - H ILE 61 far 0 59 0 - 6.8-7.3 HB2 ARG 66 - H ILE 61 far 0 87 0 - 7.6-8.4 HG LEU 36 - H ILE 61 far 0 100 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 9628 from nnoeabs.peaks (4.21, 6.97, 123.95 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: HA HIS 59 + H ILE 61 OK 100 100 100 100 3.3-3.6 10443=98, 3.6/6790=70...(5) HA ALA 62 - H ILE 61 far 0 87 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 9642 from nnoeabs.peaks (6.90, 9.34, 132.16 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.93: H ASP 65 + H ALA 62 OK 93 93 100 100 3.9-4.2 9699=92, 8412/6815=90...(8) H TRP 60 - H ALA 62 far 0 91 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 9643 from nnoeabs.peaks (7.33, 9.34, 132.16 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.98: HZ PHE 10 + H ALA 62 OK 98 100 100 98 3.3-4.1 11038/6810=72...(9) HE3 TRP 60 - H ALA 62 far 4 85 5 - 5.2-6.2 Violated in 0 structures by 0.00 A. Peak 9644 from nnoeabs.peaks (7.24, 9.34, 132.16 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 10 + H ALA 62 OK 99 99 100 100 3.5-4.1 2.2/9643=85...(9) HZ3 TRP 60 - H ALA 62 far 9 92 10 - 5.5-6.5 HH2 TRP 60 - H ALA 62 far 0 94 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 9653 from nnoeabs.peaks (2.67, 9.34, 132.16 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.98: HB3 ASP 65 + H ALA 62 OK 98 98 100 100 2.1-2.4 8390/6815=85...(11) HB3 PHE 10 - H ALA 62 far 0 100 0 - 6.9-7.2 Violated in 0 structures by 0.00 A. Peak 9654 from nnoeabs.peaks (2.46, 9.34, 132.16 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASP 65 + H ALA 62 OK 100 100 100 100 3.1-3.5 8372/6810=86...(10) Violated in 0 structures by 0.00 A. Peak 9659 from nnoeabs.peaks (1.38, 8.80, 123.94 ppm; 4.91 A increased from 4.37 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 64 + H GLU 63 OK 99 99 100 100 4.6-4.7 6836/6826=97...(8) Violated in 0 structures by 0.00 A. Peak 9664 from nnoeabs.peaks (2.17, 8.80, 123.94 ppm; 3.44 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLU 63 - H GLU 63 far 0 100 0 - 4.4-4.6 HG2 GLU 63 - H GLU 63 far 0 100 0 - 4.5-4.5 Violated in 20 structures by 0.56 A. Peak 9682 from nnoeabs.peaks (0.82, 8.85, 117.44 ppm; 5.33 A increased from 4.74 A): 1 out of 5 assignments used, quality = 0.91: QD1 ILE 67 + H ALA 64 OK 91 91 100 100 4.8-5.3 8441=91, 3.2/8411=80...(19) QG1 VAL 6 - H ALA 64 far 0 91 0 - 7.9-11.8 QG2 VAL 6 - H ALA 64 far 0 96 0 - 9.4-12.7 QD2 LEU 36 - H ALA 64 far 0 73 0 - 9.6-9.7 QG2 VAL 25 - H ALA 64 far 0 85 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 9689 from nnoeabs.peaks (1.71, 8.85, 117.44 ppm; 4.65 A): 0 out of 1 assignment used, quality = 0.00: HB3 ARG 66 - H ALA 64 far 0 100 0 - 5.9-6.5 Violated in 20 structures by 1.39 A. Peak 9690 from nnoeabs.peaks (2.66, 8.85, 117.44 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.98: HB3 ASP 65 + H ALA 64 OK 98 99 100 100 4.6-4.9 6847/6837=91...(8) HB3 PHE 10 - H ALA 64 far 0 100 0 - 9.9-10.1 Violated in 3 structures by 0.00 A. Peak 9692 from nnoeabs.peaks (4.20, 8.85, 117.44 ppm; 4.76 A increased from 4.01 A): 1 out of 1 assignment used, quality = 0.96: HA ALA 62 + H ALA 64 OK 96 96 100 100 4.6-4.7 2.1/10459=97...(8) Violated in 0 structures by 0.00 A. Peak 9698 from nnoeabs.peaks (8.54, 8.85, 117.44 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: H ILE 67 + H ALA 64 OK 100 100 100 100 4.4-4.5 9739=100, 1997/6835=82...(10) Violated in 0 structures by 0.00 A. Peak 9699 from nnoeabs.peaks (9.35, 6.88, 115.50 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.99: H ALA 62 + H ASP 65 OK 99 99 100 100 3.9-4.2 6815/8412=95, 9642=82...(8) H ALA 62 - H TRP 60 far 0 73 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 9702 from nnoeabs.peaks (0.43, 7.83, 120.22 ppm; 4.53 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + H ARG 66 OK 100 100 100 100 3.7-4.1 9488=56, 9495/3.0=45...(17) QD1 LEU 70 + H ARG 66 OK 60 100 60 99 4.7-5.2 8429/9734=59...(16) Violated in 0 structures by 0.00 A. Peak 9703 from nnoeabs.peaks (0.79, 7.83, 120.22 ppm; 4.61 A): 3 out of 6 assignments used, quality = 1.00: QD1 ILE 67 + H ARG 66 OK 100 100 100 100 3.6-4.3 9734=98, 2132/6865=81...(18) QG2 VAL 69 + H ARG 66 OK 96 96 100 100 3.9-4.1 8455/3.0=79, ~8454=51...(15) HB3 LEU 55 + H ARG 66 OK 75 85 90 97 4.9-5.4 3.1/9702=40, 8420/3.0=37...(13) QD2 LEU 36 - H ARG 66 far 0 100 0 - 6.4-6.6 HG2 LYS 52 - H ARG 66 far 0 100 0 - 8.0-10.6 QD1 ILE 11 - H ARG 66 far 0 81 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 9704 from nnoeabs.peaks (0.90, 7.83, 120.22 ppm; 5.11 A increased from 4.54 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 67 + H ARG 66 OK 100 100 100 100 5.6-5.7 6882/6865=85...(11) QG1 VAL 69 + H ARG 66 OK 99 99 100 100 4.8-4.9 8454/3.0=91, ~8455=62...(9) HG3 LYS 52 - H ARG 66 far 0 61 0 - 7.7-10.5 Violated in 0 structures by 0.00 A. Peak 9725 from nnoeabs.peaks (1.39, 7.83, 120.22 ppm; 4.70 A increased from 3.96 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 64 + H ARG 66 OK 99 99 100 100 4.4-4.6 9694=99, 6844/6854=93...(13) HB3 LYS 52 - H ARG 66 far 0 99 0 - 7.8-10.5 HD3 LYS 58 - H ARG 66 far 0 87 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 9738 from nnoeabs.peaks (8.17, 8.54, 117.57 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: H LEU 70 + H ILE 67 OK 100 100 100 100 4.6-4.7 6938/3.0=94...(8) HE3 TRP 42 + H ASP 46 OK 77 77 100 100 4.8-5.5 9262/3.0=87, 9263/4.6=68...(8) H PHE 10 - H ILE 67 far 0 100 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 9739 from nnoeabs.peaks (8.85, 8.54, 117.57 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: H ALA 64 + H ILE 67 OK 100 100 100 100 4.4-4.5 9698=100, 6835/1997=82...(10) Violated in 0 structures by 0.00 A. Peak 9740 from nnoeabs.peaks (8.72, 8.54, 117.57 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.72: H ALA 45 + H ASP 46 OK 72 72 100 100 4.0-4.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 9743 from nnoeabs.peaks (3.00, 8.54, 117.57 ppm; 4.59 A): 1 out of 5 assignments used, quality = 1.00: HB3 ASN 68 + H ILE 67 OK 100 100 100 100 4.4-4.6 8442=100, 3.8/6893=75...(9) HB2 ASN 68 - H ILE 67 far 0 100 0 - 5.7-5.8 HB3 PHE 41 - H ASP 46 far 0 61 0 - 7.5-8.0 HD2 ARG 44 - H ASP 46 far 0 48 0 - 7.5-10.0 HD3 ARG 44 - H ASP 46 far 0 50 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 9751 from nnoeabs.peaks (0.42, 8.54, 117.57 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + H ILE 67 OK 100 100 100 100 3.7-4.2 8426/3.0=79...(21) QD1 LEU 55 + H ILE 67 OK 95 99 100 96 4.7-4.8 9495/3.6=38...(12) Violated in 0 structures by 0.00 A. Peak 9752 from nnoeabs.peaks (2.18, 8.54, 117.57 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 63 + H ILE 67 OK 100 100 100 100 4.1-4.3 8399/6881=92...(12) HG3 GLU 63 + H ILE 67 OK 94 100 95 99 4.4-5.9 4.1/10457=67...(9) Violated in 0 structures by 0.00 A. Peak 9760 from nnoeabs.peaks (1.39, 7.59, 117.20 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 64 + H ASN 68 OK 97 98 100 100 3.8-3.9 2.1/9696=78...(8) HG LEU 70 - H ASN 68 far 0 59 0 - 5.9-6.1 HB3 LYS 52 - H ASN 68 far 0 100 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 9770 from nnoeabs.peaks (1.38, 7.05, 114.06 ppm; 5.44 A increased from 4.35 A): 0 out of 4 assignments used, quality = 0.00: HG3 LYS 84 - HE21 GLN 81 poor 19 48 85 48 2.1-6.7 ~10978=24, 3.0/10979=12...(7) HD3 LYS 84 - HE21 GLN 81 poor 16 46 90 37 2.6-7.3 ~10975=16, 3.8/10979=10...(6) QB ALA 64 - HD21 ASN 68 far 0 100 0 - 6.3-6.4 HG LEU 83 - HE21 GLN 81 far 0 31 0 - 6.9-9.7 Violated in 0 structures by 0.00 A. Peak 9771 from nnoeabs.peaks (2.65, 7.05, 114.06 ppm; 4.99 A): 3 out of 5 assignments used, quality = 0.98: HG3 GLN 72 + HD21 ASN 68 OK 88 96 100 91 4.8-5.2 3.5/9784=80...(3) HB3 PHE 10 + HD21 ASN 68 OK 67 99 85 80 5.2-5.6 8452/8447=72...(3) HB3 GLN 81 + HE21 GLN 81 OK 41 41 100 100 3.3-5.4 4.6=100 HB2 ASP 82 - HE21 GLN 81 far 0 31 0 - 6.8-9.3 HB3 ASP 65 - HD21 ASN 68 far 0 100 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 9772 from nnoeabs.peaks (0.80, 7.05, 114.06 ppm; 4.72 A): 1 out of 10 assignments used, quality = 0.92: QG2 VAL 69 + HD21 ASN 68 OK 92 92 100 100 4.4-4.6 9773/1.7=81, 8444/3.5=64...(14) HB2 LYS 84 - HE21 GLN 81 poor 19 23 85 - 2.6-6.0 QD1 ILE 11 - HD21 ASN 68 far 0 71 0 - 6.4-7.0 QG2 VAL 102 - HD21 ASN 68 far 0 57 0 - 6.8-7.0 QD2 LEU 36 - HD21 ASN 68 far 0 99 0 - 7.6-8.0 QG2 ILE 28 - HD21 ASN 68 far 0 95 0 - 8.0-8.3 QD1 ILE 67 - HD21 ASN 68 far 0 100 0 - 8.1-8.3 QG2 ILE 23 - HE21 GLN 81 far 0 48 0 - 9.0-11.9 QD1 LEU 17 - HE21 GLN 81 far 0 24 0 - 9.3-11.9 HB3 LEU 55 - HD21 ASN 68 far 0 77 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 9773 from nnoeabs.peaks (0.80, 7.99, 114.06 ppm; 4.64 A): 1 out of 8 assignments used, quality = 0.87: QG2 VAL 69 + HD22 ASN 68 OK 87 87 100 100 3.6-3.7 9772/1.7=77, 2.1/8448=73...(13) QD1 ILE 67 - HD22 ASN 68 far 0 100 0 - 6.8-7.1 QD1 ILE 11 - HD22 ASN 68 far 0 63 0 - 7.0-7.8 QD2 LEU 36 - HD22 ASN 68 far 0 98 0 - 7.2-7.5 QG2 VAL 102 - HD22 ASN 68 far 0 65 0 - 7.8-8.1 HB3 LEU 55 - HD22 ASN 68 far 0 70 0 - 8.4-8.6 QG2 ILE 28 - HD22 ASN 68 far 0 91 0 - 8.6-8.7 QG1 VAL 6 - HD22 ASN 68 far 0 57 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 9774 from nnoeabs.peaks (1.09, 7.99, 114.06 ppm; 4.39 A): 0 out of 3 assignments used, quality = 0.00: HG12 ILE 11 - HD22 ASN 68 far 0 61 0 - 6.6-7.0 HG LEU 51 - HD22 ASN 68 far 0 85 0 - 8.8-9.3 QG2 THR 8 - HD22 ASN 68 far 0 100 0 - 8.9-9.2 Violated in 20 structures by 2.16 A. Peak 9775 from nnoeabs.peaks (1.39, 7.99, 114.06 ppm; 5.28 A increased from 4.97 A): 1 out of 2 assignments used, quality = 0.82: QB ALA 64 + HD22 ASN 68 OK 82 99 100 83 5.1-5.2 9760/6914=68, 4.6/10463=44 HG13 ILE 11 - HD22 ASN 68 far 0 63 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 9777 from nnoeabs.peaks (3.88, 7.05, 114.06 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.99: HA VAL 69 + HD21 ASN 68 OK 98 98 100 100 3.2-3.3 2189/8447=75...(12) HA GLN 81 + HE21 GLN 81 OK 32 45 100 71 2.1-4.9 5.9=59, 10659/1.7=23...(4) HD3 PRO 43 - HE21 GLN 81 far 4 45 10 - 4.8-9.2 Violated in 0 structures by 0.00 A. Peak 9778 from nnoeabs.peaks (7.05, 7.59, 117.20 ppm; 5.20 A increased from 4.89 A): 1 out of 4 assignments used, quality = 1.00: HD21 ASN 68 + H ASN 68 OK 100 100 100 100 5.1-5.2 1.7/6914=98, 6908=93...(11) HE22 GLN 72 - H ASN 68 far 0 98 0 - 6.1-6.5 QD PHE 10 - H ASN 68 far 0 100 0 - 7.3-7.4 HH2 TRP 48 - H ASN 68 far 0 79 0 - 9.6-10.5 Violated in 2 structures by 0.00 A. Peak 9780 from nnoeabs.peaks (7.69, 7.05, 114.06 ppm; 5.06 A): 1 out of 3 assignments used, quality = 1.00: H VAL 69 + HD21 ASN 68 OK 100 100 100 100 3.2-3.3 6927/3.5=91...(10) H LYS 84 - HE21 GLN 81 poor 10 33 65 46 3.8-6.9 5.1/9770=24, 6.2/9770=15...(5) QD PHE 79 - HE21 GLN 81 far 0 48 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 9781 from nnoeabs.peaks (7.72, 7.99, 114.06 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.71: H VAL 69 + HD22 ASN 68 OK 71 71 100 100 2.1-2.2 4.4/6917=72, 4.0/9773=54...(10) Violated in 0 structures by 0.00 A. Peak 9784 from nnoeabs.peaks (6.94, 7.05, 114.06 ppm; 3.77 A): 1 out of 2 assignments used, quality = 0.89: HE21 GLN 72 + HD21 ASN 68 OK 89 98 100 91 2.8-3.0 9785/1.7=62, 7012=35...(6) HE22 GLN 19 - HE21 GLN 81 far 0 47 0 - 9.1-15.0 Violated in 0 structures by 0.00 A. Peak 9785 from nnoeabs.peaks (6.94, 7.99, 114.06 ppm; 4.24 A increased from 4.00 A): 1 out of 1 assignment used, quality = 0.94: HE21 GLN 72 + HD22 ASN 68 OK 94 98 100 97 4.1-4.2 9784/1.7=88...(4) Violated in 0 structures by 0.00 A. Peak 9810 from nnoeabs.peaks (0.44, 7.68, 117.25 ppm; 5.04 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 55 + H VAL 69 OK 99 99 100 100 4.5-4.6 8451/2188=96...(10) QD1 LEU 70 + H VAL 69 OK 93 95 100 98 5.1-5.4 6951/6941=78...(7) QD2 LEU 51 - H VAL 69 poor 18 61 65 46 5.3-5.8 8450/2182=42, 1480/1482=5 HB2 LYS 52 - H VAL 69 far 0 70 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 9824 from nnoeabs.peaks (2.98, 8.17, 121.05 ppm; 5.18 A increased from 4.60 A): 1 out of 4 assignments used, quality = 0.84: HB3 ASN 68 + H LEU 70 OK 84 84 100 100 5.0-5.1 9786=84, 2165/6941=81...(9) HB2 ASN 71 - H LEU 70 far 7 73 10 - 4.3-5.9 HB2 ASN 68 - H LEU 70 far 0 84 0 - 5.8-5.9 HE2 LYS 52 - H LEU 70 far 0 73 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 9825 from nnoeabs.peaks (3.13, 8.17, 121.05 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.85: HB3 ASN 71 + H LEU 70 OK 85 95 90 99 4.3-5.9 2264/6959=85...(4) HA LYS 52 - H LEU 70 far 0 87 0 - 6.1-6.8 Violated in 2 structures by 0.07 A. Peak 9830 from nnoeabs.peaks (9.50, 8.17, 121.05 ppm; 4.81 A increased from 4.53 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + H LEU 70 OK 100 100 100 100 4.7-4.8 9309=99, 9341/3.0=86...(15) Violated in 0 structures by 0.00 A. Peak 9847 from nnoeabs.peaks (9.51, 8.94, 120.78 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + H ASN 71 OK 100 100 100 100 4.2-4.3 9306=95, 9341/3.6=80...(13) Violated in 0 structures by 0.00 A. Peak 9848 from nnoeabs.peaks (4.51, 6.80, 111.21 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 68 + HD21 ASN 71 OK 100 100 100 100 4.1-4.2 9849/1.7=78, 2149/3.5=70...(6) HA ASP 65 - HD21 ASN 71 far 0 63 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 9849 from nnoeabs.peaks (4.51, 7.79, 111.21 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.99: HA ASN 68 + HD22 ASN 71 OK 99 100 100 100 2.4-2.5 9848/1.7=76, 2149/3.5=69...(6) HA ASP 65 - HD22 ASN 71 far 0 73 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 9850 from nnoeabs.peaks (2.63, 8.94, 120.78 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: HG3 GLN 72 + H ASN 71 OK 100 100 100 100 3.5-3.7 7000/6990=93, 9889=91...(7) HB3 PHE 10 - H ASN 71 far 0 81 0 - 9.3-9.6 HB3 ASP 65 - H ASN 71 far 0 91 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9851 from nnoeabs.peaks (0.89, 8.94, 120.78 ppm; 3.97 A): 1 out of 4 assignments used, quality = 0.97: QG2 ILE 67 + H ASN 71 OK 97 98 100 100 3.8-4.0 9742=76, 2109/6955=49...(9) QG1 VAL 69 - H ASN 71 far 0 100 0 - 5.2-5.3 QD1 LEU 51 - H ASN 71 far 0 77 0 - 7.0-7.2 QG2 ILE 11 - H ASN 71 far 0 65 0 - 8.7-9.0 Violated in 2 structures by 0.00 A. Peak 9852 from nnoeabs.peaks (0.81, 8.94, 120.78 ppm; 4.91 A): 3 out of 9 assignments used, quality = 1.00: QD1 ILE 67 + H ASN 71 OK 100 100 100 100 5.2-5.3 2135/9742=82...(7) QG2 VAL 69 + H ASN 71 OK 81 81 100 100 4.0-4.1 8461=81, 4.2/6959=74...(14) QD1 LEU 12 + H ASN 71 OK 24 59 65 61 5.4-5.7 8487/6972=33...(6) QG2 VAL 25 - H ASN 71 far 0 57 0 - 5.9-6.1 QG2 VAL 102 - H ASN 71 far 0 73 0 - 7.0-7.3 HG2 LYS 52 - H ASN 71 far 0 97 0 - 7.4-10.3 QG2 ILE 23 - H ASN 71 far 0 100 0 - 8.7-8.9 QD2 LEU 36 - H ASN 71 far 0 95 0 - 9.8-10.0 HB3 LEU 55 - H ASN 71 far 0 61 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 9857 from nnoeabs.peaks (1.52, 7.77, 120.55 ppm; 4.24 A increased from 3.77 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 73 + H GLN 72 OK 100 100 100 100 4.0-4.0 9896=86, 2328/7003=85...(14) HG LEU 12 - H GLN 72 far 0 100 0 - 6.9-7.0 HB3 LEU 51 - H GLN 72 far 0 59 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 9858 from nnoeabs.peaks (0.88, 7.77, 120.55 ppm; 4.70 A increased from 4.18 A): 1 out of 8 assignments used, quality = 0.71: QD1 LEU 12 + H GLN 72 OK 71 71 100 99 4.4-4.7 2.1/9877=83...(10) QG1 VAL 69 - H GLN 72 far 0 98 0 - 5.3-5.4 QG2 ILE 67 - H GLN 72 far 0 91 0 - 5.8-5.9 QG2 VAL 25 - H GLN 72 far 0 73 0 - 5.8-6.1 QD1 LEU 51 - H GLN 72 far 0 90 0 - 7.4-7.7 QG2 ILE 11 - H GLN 72 far 0 81 0 - 7.6-7.8 QG2 VAL 103 - H GLN 72 far 0 96 0 - 8.6-9.7 QG1 VAL 103 - H GLN 72 far 0 99 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 9859 from nnoeabs.peaks (0.79, 7.77, 120.55 ppm; 5.22 A increased from 4.39 A): 1 out of 6 assignments used, quality = 0.99: QG2 VAL 69 + H GLN 72 OK 99 99 100 100 5.0-5.0 3.2/6987=88...(8) QD1 ILE 23 - H GLN 72 far 0 71 0 - 7.1-7.2 QD1 ILE 67 - H GLN 72 far 0 97 0 - 7.4-7.4 QG2 ILE 23 - H GLN 72 far 0 96 0 - 7.8-7.9 HG2 LYS 52 - H GLN 72 far 0 100 0 - 9.3-12.0 QD1 ILE 11 - H GLN 72 far 0 91 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 9869 from nnoeabs.peaks (0.88, 6.96, 110.41 ppm; 4.28 A): 1 out of 9 assignments used, quality = 0.95: QG1 VAL 69 + HE21 GLN 72 OK 95 95 100 100 4.1-4.1 9798=95, 9870/1.7=59...(8) QG2 VAL 102 - HE21 GLN 72 far 3 65 5 - 4.8-5.1 QG2 ILE 11 - HE21 GLN 72 lone 1 87 95 2 4.5-5.1 QD1 LEU 12 - HE21 GLN 72 far 0 79 0 - 5.9-6.2 QG2 VAL 25 - HE21 GLN 72 far 0 81 0 - 6.2-6.3 QG2 VAL 103 - HE21 GLN 72 far 0 92 0 - 6.4-7.2 QG2 ILE 67 - HE21 GLN 72 far 0 85 0 - 7.1-7.7 QG1 VAL 103 - HE21 GLN 72 far 0 100 0 - 7.5-9.4 QD1 LEU 51 - HE21 GLN 72 far 0 94 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 9870 from nnoeabs.peaks (0.88, 7.06, 110.41 ppm; 4.99 A increased from 4.20 A): 1 out of 8 assignments used, quality = 0.97: QG1 VAL 69 + HE22 GLN 72 OK 97 98 100 100 4.8-4.9 9869/1.7=92...(6) QD1 LEU 12 - HE22 GLN 72 far 11 71 15 - 5.5-5.9 QG2 ILE 11 - HE22 GLN 72 far 0 81 0 - 5.8-6.2 QG2 VAL 25 - HE22 GLN 72 far 0 73 0 - 6.5-6.6 QG2 ILE 67 - HE22 GLN 72 far 0 91 0 - 6.6-7.0 QG2 VAL 103 - HE22 GLN 72 far 0 96 0 - 7.2-8.1 QG1 VAL 103 - HE22 GLN 72 far 0 99 0 - 8.3-10.0 QD1 LEU 51 - HE22 GLN 72 far 0 90 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 9874 from nnoeabs.peaks (3.87, 6.96, 110.41 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 69 + HE21 GLN 72 OK 100 100 100 100 3.3-3.5 9876/1.7=88, 8462=73...(11) Violated in 0 structures by 0.00 A. Peak 9876 from nnoeabs.peaks (3.87, 7.06, 110.41 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 69 + HE22 GLN 72 OK 99 100 100 100 3.5-3.6 9874/1.7=63, 2174/3.5=57...(11) Violated in 0 structures by 0.00 A. Peak 9877 from nnoeabs.peaks (0.63, 7.77, 120.55 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 12 + H GLN 72 OK 100 100 100 100 4.0-4.3 8488/7003=74...(11) Violated in 0 structures by 0.00 A. Peak 9885 from nnoeabs.peaks (0.79, 6.96, 110.41 ppm; 6.00 A increased from 4.81 A): 1 out of 7 assignments used, quality = 0.99: QG2 VAL 69 + HE21 GLN 72 OK 99 99 100 100 5.6-5.9 2.1/9798=100...(9) QD1 ILE 11 - HE21 GLN 72 far 0 87 0 - 7.4-8.2 QD1 ILE 67 - HE21 GLN 72 far 0 99 0 - 8.8-9.4 QD1 ILE 23 - HE21 GLN 72 far 0 65 0 - 9.5-9.7 QD2 LEU 36 - HE21 GLN 72 far 0 100 0 - 9.6-9.9 QG2 ILE 28 - HE21 GLN 72 far 0 99 0 - 9.6-10.0 QG2 ILE 23 - HE21 GLN 72 far 0 98 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 9886 from nnoeabs.peaks (0.81, 7.06, 110.41 ppm; 4.79 A increased from 4.51 A): 1 out of 6 assignments used, quality = 0.62: QG2 VAL 102 + HE22 GLN 72 OK 62 77 100 81 4.4-4.7 9861/2278=33...(7) QD1 LEU 12 - HE22 GLN 72 far 0 63 0 - 5.5-5.9 QG2 VAL 69 - HE22 GLN 72 far 0 77 0 - 5.8-5.9 QG2 VAL 25 - HE22 GLN 72 far 0 61 0 - 6.5-6.6 QD1 ILE 67 - HE22 GLN 72 far 0 99 0 - 8.5-8.9 QG2 ILE 23 - HE22 GLN 72 far 0 100 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 9894 from nnoeabs.peaks (6.71, 8.38, 120.97 ppm; 4.70 A increased from 4.42 A): 1 out of 2 assignments used, quality = 1.00: HD1 TRP 48 + H ALA 73 OK 100 100 100 100 4.3-4.5 8478/2328=88...(10) HD22 ASN 78 - H ALA 73 far 0 59 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 9895 from nnoeabs.peaks (9.52, 8.38, 120.97 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.95: HE1 TRP 48 + H ALA 73 OK 95 95 100 100 4.3-4.4 9308=95, 9345/2.9=91...(14) Violated in 0 structures by 0.00 A. Peak 9901 from nnoeabs.peaks (0.49, 8.38, 120.97 ppm; 4.56 A): 1 out of 4 assignments used, quality = 0.96: QD2 LEU 51 + H ALA 73 OK 96 96 100 100 4.3-4.5 8495/2328=86, 10421=68...(8) QG2 VAL 14 - H ALA 73 far 0 99 0 - 5.5-5.7 HG12 ILE 77 - H ALA 73 far 0 99 0 - 8.0-8.3 HB2 LYS 52 - H ALA 73 far 0 93 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 9902 from nnoeabs.peaks (-0.15, 8.38, 120.97 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 70 + H ALA 73 OK 93 93 100 100 4.9-5.1 8496/2328=88...(10) Violated in 0 structures by 0.00 A. Peak 9908 from nnoeabs.peaks (0.61, 8.47, 115.55 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 12 + H THR 74 OK 97 97 100 100 4.5-4.8 8488/7036=94...(7) QD1 ILE 77 + H THR 74 OK 81 81 100 100 4.6-4.8 8497/3.0=77, 9978/3.6=61...(10) Violated in 0 structures by 0.00 A. Peak 9910 from nnoeabs.peaks (2.27, 8.47, 115.55 ppm; 5.18 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 75 + H THR 74 OK 99 100 100 99 5.0-5.3 4.0/7049=78...(9) HG2 GLN 72 + H THR 74 OK 93 93 100 100 5.3-5.6 7029/7036=94...(7) HB3 GLN 72 - H THR 74 far 0 100 0 - 6.0-6.1 HB3 GLU 75 - H THR 74 far 0 100 0 - 6.3-6.3 HG3 GLU 101 - H THR 74 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9913 from nnoeabs.peaks (6.71, 8.47, 115.55 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.98: HD1 TRP 48 + H THR 74 OK 98 98 100 100 3.0-3.3 2.6/9307=82, 9914/3.0=72...(9) HD22 ASN 78 - H THR 74 far 0 75 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 9944 from nnoeabs.peaks (6.74, 7.53, 118.75 ppm; 5.66 A increased from 5.03 A): 2 out of 3 assignments used, quality = 1.00: HD22 ASN 78 + H GLU 75 OK 100 100 100 100 5.8-6.2 8482/7059=93...(10) HE21 GLN 86 + H LEU 83 OK 92 92 100 100 5.4-5.7 10046/10589=87...(5) HE21 GLN 89 - H LEU 83 far 5 98 5 - 5.8-12.3 Violated in 0 structures by 0.00 A. Peak 9986 from nnoeabs.peaks (4.05, 7.57, 111.17 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 75 + HD21 ASN 78 OK 100 100 100 100 2.8-3.1 9925/8515=79...(12) Violated in 0 structures by 0.00 A. Peak 9987 from nnoeabs.peaks (4.05, 6.75, 111.17 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 75 + HD22 ASN 78 OK 100 100 100 100 4.5-4.8 10496=100, 9986/1.7=99...(10) Violated in 0 structures by 0.00 A. Peak 9988 from nnoeabs.peaks (0.98, 8.45, 116.32 ppm; 5.07 A): 3 out of 4 assignments used, quality = 1.00: QG2 THR 37 + H LEU 55 OK 95 95 100 100 3.5-3.6 9176=97, 8258/6707=86...(12) QG2 THR 74 + H ASN 78 OK 89 90 100 99 4.4-4.6 9925/2357=68...(9) QG1 VAL 25 + H LEU 55 OK 88 97 100 90 5.1-5.3 8947/6707=62...(5) QG1 VAL 14 - H ASN 78 far 0 65 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 9993 from nnoeabs.peaks (6.95, 8.16, 121.94 ppm; 4.54 A): 1 out of 7 assignments used, quality = 0.95: HZ PHE 99 + H PHE 79 OK 95 97 100 98 3.6-4.2 9992/7146=63...(6) HD22 ASN 108 - H LEU 109 poor 20 64 60 51 2.2-5.6 10741/4.7=37, 3.5/7140=22 HD2 HIS 7 - H VAL 6 far 0 60 0 - 6.1-8.8 QE PHE 41 - H LEU 109 far 0 54 0 - 6.8-18.0 H ILE 61 - H VAL 6 far 0 46 0 - 9.2-12.3 HE22 GLN 19 - H LEU 109 far 0 63 0 - 9.6-27.5 H LEU 17 - H LEU 109 far 0 51 0 - 9.6-19.2 Violated in 0 structures by 0.00 A. Peak 9994 from nnoeabs.peaks (7.58, 8.16, 121.94 ppm; 5.45 A increased from 5.13 A): 1 out of 1 assignment used, quality = 0.92: HD21 ASN 78 + H PHE 79 OK 92 92 100 100 5.1-5.2 3.5/7141=89, 3.5/2484=77...(5) Violated in 0 structures by 0.00 A. Peak 9996 from nnoeabs.peaks (9.45, 8.16, 121.94 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.97: H GLN 81 + H PHE 79 OK 97 100 100 97 4.0-4.4 10356/7150=82...(4) Violated in 0 structures by 0.00 A. Peak 10001 from nnoeabs.peaks (0.94, 8.88, 119.68 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 76 + H TRP 80 OK 100 100 100 100 3.4-3.6 3.2/7152=82...(12) QG1 VAL 14 - H TRP 80 far 0 100 0 - 5.7-5.9 QG2 THR 74 - H TRP 80 far 0 94 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 10002 from nnoeabs.peaks (0.61, 8.88, 119.68 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 83 + H TRP 80 OK 98 98 100 100 4.1-5.4 10576/2.9=89...(13) QD1 ILE 77 - H TRP 80 far 0 81 0 - 6.8-6.9 QD2 LEU 12 - H TRP 80 far 0 97 0 - 8.0-8.2 Violated in 1 structures by 0.00 A. Peak 10003 from nnoeabs.peaks (0.31, 8.88, 119.68 ppm; 4.81 A increased from 4.53 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 21 + H TRP 80 OK 100 100 100 100 4.7-4.9 8511/7153=70...(10) QG2 VAL 76 + H TRP 80 OK 94 95 100 99 5.1-5.3 3.2/7152=79...(8) Violated in 0 structures by 0.00 A. Peak 10009 from nnoeabs.peaks (8.88, 9.45, 118.83 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 80 + H GLN 81 OK 100 100 100 100 2.8-2.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 10012 from nnoeabs.peaks (2.50, 7.21, 111.36 ppm; 5.80 A increased from 4.89 A): 2 out of 2 assignments used, quality = 0.95: HG3 GLN 86 + HD21 ASN 85 OK 85 100 90 95 2.5-6.4 10010/3.5=59...(6) HG3 GLN 81 + HD21 ASN 85 OK 70 100 90 78 2.7-6.8 10644/1.7=37...(5) Violated in 0 structures by 0.00 A. Peak 10013 from nnoeabs.peaks (2.50, 7.98, 111.36 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.98: HG3 GLN 86 + HD22 ASN 85 OK 94 100 100 94 3.5-4.9 10644=53, 10010/3.5=50...(7) HG3 GLN 81 + HD22 ASN 85 OK 59 99 75 79 3.3-6.6 10644=36, 10012/1.7=30...(6) Violated in 0 structures by 0.00 A. Peak 10014 from nnoeabs.peaks (4.41, 7.21, 111.36 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 82 + HD21 ASN 85 OK 100 100 100 100 1.9-4.2 10386=96, 10389/1.7=90...(8) HA ASN 78 - HD21 ASN 85 far 0 71 0 - 7.3-9.1 Violated in 0 structures by 0.00 A. Peak 10015 from nnoeabs.peaks (4.42, 7.98, 111.36 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.98: HA ASP 82 + HD22 ASN 85 OK 98 99 100 99 1.9-3.0 10389=93, 10386/1.7=72...(8) Violated in 0 structures by 0.00 A. Peak 10020 from nnoeabs.peaks (3.81, 7.56, 116.39 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 84 + H GLN 86 OK 98 100 100 98 4.0-4.7 10051/7522=77...(4) HA TRP 80 - H GLN 86 far 0 68 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 10021 from nnoeabs.peaks (3.69, 7.56, 116.39 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 83 + H GLN 86 OK 96 100 100 96 3.1-3.6 10025/7499=55...(9) Violated in 0 structures by 0.00 A. Peak 10029 from nnoeabs.peaks (2.90, 6.76, 112.58 ppm; 4.53 A): 2 out of 6 assignments used, quality = 0.99: HE2 LYS 88 + HE21 GLN 86 OK 93 96 100 97 2.3-4.4 10083/4.6=56...(11) HE3 LYS 88 + HE21 GLN 86 OK 88 98 100 90 2.3-5.1 10084/10046=30...(9) HB2 ASN 85 - HE21 GLN 86 far 0 100 0 - 6.6-8.5 HB2 ASN 85 - HE21 GLN 89 far 0 54 0 - 7.4-15.3 HE3 LYS 88 - HE21 GLN 89 far 0 51 0 - 7.5-12.3 HE2 LYS 88 - HE21 GLN 89 far 0 49 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 10030 from nnoeabs.peaks (3.69, 7.27, 112.58 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 83 + HE22 GLN 86 OK 100 100 100 100 3.0-3.2 10695=93, 10579/10049=74...(15) HB3 PHE 79 - HE22 GLN 86 far 0 82 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 10031 from nnoeabs.peaks (2.92, 7.27, 112.58 ppm; 4.94 A): 3 out of 3 assignments used, quality = 0.98: HB3 ASP 82 + HE22 GLN 86 OK 91 92 100 100 4.0-4.5 1.8/10032=87, ~10033=70...(5) HE3 LYS 88 + HE22 GLN 86 OK 63 65 100 97 2.9-5.5 1.8/10678=42, ~10029=35...(13) HB2 ASN 85 + HE22 GLN 86 OK 22 92 30 81 5.3-7.3 4.4/7503=51...(5) Violated in 0 structures by 0.00 A. Peak 10032 from nnoeabs.peaks (2.69, 7.27, 112.58 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.95: HB2 ASP 82 + HE22 GLN 86 OK 95 96 100 99 2.2-2.8 10033/1.7=85, 10379=66...(5) HB2 ASN 87 - HE22 GLN 86 far 0 100 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 10033 from nnoeabs.peaks (2.69, 6.76, 112.58 ppm; 4.39 A): 1 out of 5 assignments used, quality = 0.92: HB2 ASP 82 + HE21 GLN 86 OK 92 96 100 96 3.2-3.7 10032/1.7=72...(6) HB2 ASN 87 - HE21 GLN 89 far 3 55 5 - 4.9-10.2 HE2 LYS 84 - HE21 GLN 89 far 0 55 0 - 6.6-14.6 HB2 ASP 82 - HE21 GLN 89 far 0 49 0 - 7.8-14.1 HB2 ASN 87 - HE21 GLN 86 far 0 100 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 10044 from nnoeabs.peaks (1.52, 6.76, 112.58 ppm; 5.03 A increased from 4.47 A): 2 out of 8 assignments used, quality = 1.00: HD2 LYS 88 + HE21 GLN 86 OK 99 100 100 99 2.4-5.3 10085/10046=53, 10676=41...(13) HD3 LYS 88 + HE21 GLN 86 OK 99 100 100 99 4.0-5.0 10676=41, 10088/4.6=40...(12) HB3 LYS 84 - HE21 GLN 89 far 3 54 5 - 5.5-13.7 HB3 LEU 83 - HE21 GLN 89 far 2 32 5 - 4.0-10.4 HD3 LYS 88 - HE21 GLN 89 far 0 55 0 - 5.9-10.0 HB3 LEU 83 - HE21 GLN 86 far 0 71 0 - 6.5-7.3 HD2 LYS 88 - HE21 GLN 89 far 0 55 0 - 7.0-11.1 HB3 LYS 84 - HE21 GLN 86 far 0 100 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 10046 from nnoeabs.peaks (0.57, 6.76, 112.58 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 83 + HE21 GLN 86 OK 99 100 100 99 3.5-3.8 10583=74, 10049/1.7=65...(12) QD1 LEU 83 - HE21 GLN 89 far 0 31 0 - 5.0-8.8 QD2 LEU 83 - HE21 GLN 89 far 0 54 0 - 5.2-8.7 QD1 LEU 83 - HE21 GLN 86 far 0 70 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 10047 from nnoeabs.peaks (1.51, 7.27, 112.58 ppm; 5.50 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 88 + HE22 GLN 86 OK 98 99 100 99 2.4-5.1 10085/10049=55...(12) HD3 LYS 88 + HE22 GLN 86 OK 98 99 100 99 3.9-5.0 10088/4.6=46...(11) HB3 LYS 84 - HE22 GLN 86 far 0 100 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 10049 from nnoeabs.peaks (0.57, 7.27, 112.58 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 83 + HE22 GLN 86 OK 99 100 100 100 2.6-3.1 10046/1.7=85...(13) QD1 LEU 83 - HE22 GLN 86 far 0 70 0 - 5.1-5.6 Violated in 0 structures by 0.00 A. Peak 10050 from nnoeabs.peaks (1.35, 8.09, 117.37 ppm; 5.58 A increased from 5.25 A): 2 out of 4 assignments used, quality = 0.90: HG3 LYS 88 + H ASN 87 OK 79 79 100 100 4.7-5.3 4.9/7549=83...(7) HG3 LYS 84 + H ASN 87 OK 52 85 70 87 5.4-7.2 4.0/10051=82, 5.1/6678=28 HD3 LYS 84 - H ASN 87 far 9 91 10 - 5.8-8.3 HG LEU 83 - H ASN 87 far 0 100 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 10051 from nnoeabs.peaks (3.81, 8.09, 117.37 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 84 + H ASN 87 OK 100 100 100 100 3.5-3.9 10663=95, 10052/7530=62...(7) HA TRP 80 - H ASN 87 far 0 68 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 10053 from nnoeabs.peaks (3.82, 8.04, 118.59 ppm; 4.98 A increased from 4.68 A): 1 out of 1 assignment used, quality = 0.95: HA LYS 84 + H LYS 88 OK 95 99 100 96 4.7-4.9 10051/7549=84...(3) Violated in 0 structures by 0.00 A. Peak 10054 from nnoeabs.peaks (3.69, 8.04, 118.59 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 83 + H LYS 88 OK 100 100 100 100 2.7-3.0 11197=93, 10579/10594=74...(14) Violated in 0 structures by 0.00 A. Peak 10055 from nnoeabs.peaks (8.79, 8.09, 117.37 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.90: H ASN 85 + H ASN 87 OK 90 92 100 98 3.7-3.9 7477/7522=80...(4) H ILE 90 - H ASN 87 far 0 100 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 10068 from nnoeabs.peaks (1.84, 8.04, 118.59 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 86 + H LYS 88 OK 100 100 100 100 2.6-2.7 7525/7549=72...(12) HB2 GLN 89 - H LYS 88 far 0 90 0 - 5.7-7.2 Violated in 0 structures by 0.00 A. Peak 10069 from nnoeabs.peaks (2.28, 8.04, 118.59 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.98: HB2 GLN 86 + H LYS 88 OK 97 98 100 100 3.4-3.7 1.8/10068=77...(12) HG2 GLN 89 + H LYS 88 OK 29 73 60 65 3.7-8.4 4.9/7566=42...(9) HG2 GLN 86 - H LYS 88 far 0 100 0 - 5.4-5.4 Violated in 0 structures by 0.00 A. Peak 10070 from nnoeabs.peaks (0.57, 8.04, 118.59 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 83 + H LYS 88 OK 99 99 100 100 3.7-4.0 10594=99, 10565/3413=80...(15) QD1 LEU 83 + H LYS 88 OK 30 77 40 98 4.8-5.5 2.1/10594=85...(7) Violated in 0 structures by 0.00 A. Peak 10091 from nnoeabs.peaks (4.58, 6.74, 112.17 ppm; 5.08 A): 0 out of 1 assignment used, quality = 0.00: HA ASP 18 - HE21 GLN 89 far 0 87 0 - 5.7-12.5 Violated in 20 structures by 3.75 A. Peak 10092 from nnoeabs.peaks (2.15, 8.27, 119.85 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 94 + H ALA 93 OK 100 100 100 100 4.5-5.1 8518/2.9=88...(5) HB3 GLU 94 + H ALA 93 OK 100 100 100 100 4.6-5.2 3.9/7177=71, 9474/2.9=50...(8) HG12 ILE 90 - H ALA 93 far 0 97 0 - 7.0-8.2 Violated in 0 structures by 0.00 A. Peak 10108 from nnoeabs.peaks (0.67, 7.65, 119.59 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.99: QD1 ILE 90 + H GLU 94 OK 99 99 100 100 3.1-4.2 10115/2609=72...(8) Violated in 0 structures by 0.00 A. Peak 10109 from nnoeabs.peaks (-0.01, 7.65, 119.59 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.96: QB ALA 95 + H GLU 94 OK 96 98 100 99 4.3-4.5 2.9/7185=90, 3.7/7186=58...(4) Violated in 0 structures by 0.00 A. Peak 10121 from nnoeabs.peaks (0.68, 7.54, 124.41 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 90 + H ALA 95 OK 95 95 100 100 2.0-3.2 11184=95, 10124/2.9=87...(10) QG2 VAL 21 - H ALA 95 far 0 93 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10135 from nnoeabs.peaks (1.31, 7.97, 115.44 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 93 + H GLN 96 OK 100 100 100 100 4.4-4.7 2.1/7200=87, 10099=81...(8) HB3 LYS 98 + H GLN 96 OK 30 100 40 76 4.9-5.7 10154/3.6=68, 10139/7213=25 Violated in 0 structures by 0.00 A. Peak 10138 from nnoeabs.peaks (3.70, 6.76, 112.58 ppm; 4.93 A increased from 4.64 A): 1 out of 3 assignments used, quality = 0.98: HA LEU 83 + HE21 GLN 86 OK 98 98 100 100 4.6-4.7 10030/1.7=86...(13) HA LEU 83 - HE21 GLN 89 far 3 51 5 - 4.3-10.5 HB3 PHE 79 - HE21 GLN 86 far 0 71 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 10139 from nnoeabs.peaks (1.31, 7.43, 103.99 ppm; 5.42 A increased from 5.11 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 93 + H GLY 97 OK 99 100 100 99 4.6-5.4 10095/10140=77...(6) HB3 LYS 98 + H GLY 97 OK 98 100 100 98 4.5-5.3 7248/7243=95...(3) Violated in 0 structures by 0.00 A. Peak 10140 from nnoeabs.peaks (3.87, 7.43, 103.99 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.97: HA GLU 94 + H GLY 97 OK 97 100 100 97 3.4-4.0 8520=96, 10095/10139=16 Violated in 0 structures by 0.00 A. Peak 10141 from nnoeabs.peaks (7.26, 7.43, 103.99 ppm; 4.98 A increased from 4.68 A): 1 out of 2 assignments used, quality = 0.94: H PHE 99 + H GLY 97 OK 94 100 100 94 4.2-4.8 10142/7243=86...(4) HZ PHE 79 - H GLY 97 far 0 99 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 10142 from nnoeabs.peaks (7.26, 7.11, 120.34 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.92: * H PHE 99 + H LYS 98 OK 92 100 100 92 2.0-2.7 7881=62, 4.2/7248=39...(8) HZ PHE 79 - H LYS 98 far 0 99 0 - 6.4-8.3 Violated in 0 structures by 0.00 A. Peak 10150 from nnoeabs.peaks (3.47, 7.11, 120.34 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.97: HA ALA 95 + H LYS 98 OK 97 99 100 98 3.2-3.6 10132=81, 10154/7248=63 Violated in 0 structures by 0.00 A. Peak 10182 from nnoeabs.peaks (7.28, 8.85, 115.51 ppm; 4.61 A increased from 4.34 A): 1 out of 3 assignments used, quality = 0.84: QD PHE 99 + H GLU 101 OK 84 84 100 100 4.1-4.6 3.0/10188=78...(11) H PHE 99 - H GLU 101 far 5 94 5 - 5.2-5.4 QE PHE 104 - H GLU 101 far 0 65 0 - 5.7-6.3 Violated in 0 structures by 0.00 A. Peak 10188 from nnoeabs.peaks (5.10, 8.85, 115.51 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.97: HA PHE 99 + H GLU 101 OK 97 100 100 97 3.3-3.4 2778/7262=61...(7) Violated in 0 structures by 0.00 A. Peak 10196 from nnoeabs.peaks (7.31, 7.76, 123.66 ppm; 4.74 A increased from 4.46 A): 2 out of 2 assignments used, quality = 0.98: QE PHE 104 + H VAL 102 OK 85 100 100 85 3.9-4.7 10508/2889=40...(6) QD PHE 99 + H VAL 102 OK 83 99 85 99 4.6-5.4 8844/7279=75...(9) Violated in 0 structures by 0.00 A. Peak 10198 from nnoeabs.peaks (3.11, 8.85, 115.51 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: HB3 PHE 99 + H GLU 101 OK 100 100 100 100 3.1-3.7 3.0/10188=76...(8) HB3 ASN 71 - H GLU 101 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 10203 from nnoeabs.peaks (0.23, 8.85, 115.51 ppm; 5.82 A increased from 5.17 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 102 + H GLU 101 OK 100 100 100 100 5.5-5.6 2.1/8525=100...(7) HG2 LYS 98 - H GLU 101 far 0 88 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 10214 from nnoeabs.peaks (3.06, 7.76, 123.66 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.66: HB2 PHE 99 + H VAL 102 OK 66 68 100 98 3.5-4.1 10712/2889=71...(6) Violated in 0 structures by 0.00 A. Peak 10227 from nnoeabs.peaks (5.16, 8.37, 126.73 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.85: HA LYS 13 + H VAL 103 OK 85 100 100 85 2.4-2.9 10228/2900=63...(3) Violated in 0 structures by 0.00 A. Peak 10236 from nnoeabs.peaks (7.17, 8.62, 127.23 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 104 + H PHE 104 OK 100 100 100 100 2.5-3.1 4.5=100 HD1 TRP 16 - H PHE 104 far 0 91 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 10243 from nnoeabs.peaks (0.91, 8.62, 127.23 ppm; 4.41 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 103 + H PHE 104 OK 99 99 100 100 3.6-4.1 4.3=100 QG1 VAL 103 + H PHE 104 OK 68 68 100 100 1.9-3.8 4.3=100 QG1 VAL 76 - H PHE 104 far 0 68 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 10248 from nnoeabs.peaks (8.55, 8.86, 116.56 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.93: H VAL 14 + H SER 105 OK 93 99 100 94 4.3-5.2 10803/3.6=76, 6128=47...(5) Violated in 4 structures by 0.01 A. Peak 10249 from nnoeabs.peaks (4.98, 8.86, 116.56 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.90: HA LEU 15 + H SER 105 OK 90 91 100 99 3.2-3.8 3.6/10733=75...(6) Violated in 0 structures by 0.00 A. Peak 10254 from nnoeabs.peaks (0.87, 8.86, 116.56 ppm; 4.84 A): 2 out of 9 assignments used, quality = 1.00: QG1 VAL 103 + H SER 105 OK 99 100 100 99 3.9-4.6 10233/3.6=72...(10) HG LEU 15 + H SER 105 OK 76 79 100 96 4.2-4.9 2.1/10255=62...(8) QD1 LEU 109 - H SER 105 far 4 79 5 - 5.1-11.3 QG2 VAL 103 - H SER 105 far 0 85 0 - 6.4-6.9 QD2 LEU 17 - H SER 105 far 0 82 0 - 8.0-8.8 QD1 LEU 17 - H SER 105 far 0 70 0 - 8.4-9.5 QG2 VAL 102 - H SER 105 far 0 75 0 - 8.6-8.9 QG2 ILE 11 - H SER 105 far 0 93 0 - 9.1-9.8 QD1 LEU 12 - H SER 105 far 0 87 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10255 from nnoeabs.peaks (0.46, 8.86, 116.56 ppm; 5.48 A increased from 5.16 A): 1 out of 2 assignments used, quality = 0.82: QD2 LEU 15 + H SER 105 OK 82 90 100 92 4.8-5.2 4.0/10249=53...(5) QG2 VAL 14 - H SER 105 far 0 59 0 - 6.3-6.8 Violated in 0 structures by 0.00 A. Peak 10267 from nnoeabs.peaks (11.12, 11.12, 131.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 42 + HE1 TRP 42 OK 100 100 - 100 Peak 10268 from nnoeabs.peaks (7.51, 11.12, 131.18 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 42 + HE1 TRP 42 OK 100 100 100 100 2.8-2.8 2.8=100 H LEU 83 - HE1 TRP 42 far 0 96 0 - 8.6-9.2 HZ2 TRP 16 - HE1 TRP 42 far 0 61 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 10269 from nnoeabs.peaks (6.83, 11.12, 131.18 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: * HD1 TRP 42 + HE1 TRP 42 OK 100 100 100 100 2.6-2.6 2.6=100 HZ2 TRP 80 + HE1 TRP 42 OK 24 93 40 65 4.9-6.1 4.3/10777=42...(3) Violated in 0 structures by 0.00 A. Peak 10270 from nnoeabs.peaks (10.45, 6.88, 115.11 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.99: * HE1 TRP 60 + H TRP 60 OK 99 99 100 100 4.3-4.4 2.6/6783=99, 9582=92...(10) Violated in 0 structures by 0.00 A. Peak 10272 from nnoeabs.peaks (7.32, 9.20, 127.20 ppm; 5.69 A): 2 out of 6 assignments used, quality = 1.00: H ASN 20 + HE1 TRP 80 OK 100 100 100 100 3.2-4.2 8861=100, 8114/2.8=99...(7) HE3 TRP 80 + HE1 TRP 80 OK 95 95 100 100 5.3-5.3 5.3=100 HH2 TRP 16 - HE1 TRP 80 poor 17 61 45 61 6.1-6.8 10008/6.4=40...(3) HE22 GLN 81 - HE1 TRP 80 far 0 96 0 - 7.0-11.6 QE PHE 79 - HE1 TRP 80 far 0 98 0 - 8.0-9.9 QE PHE 104 - HE1 TRP 80 far 0 100 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 10273 from nnoeabs.peaks (9.20, 9.20, 127.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 80 + HE1 TRP 80 OK 100 100 - 100 Peak 10275 from nnoeabs.peaks (7.48, 8.88, 119.68 ppm; 4.83 A increased from 4.55 A): 1 out of 3 assignments used, quality = 0.69: HZ3 TRP 16 + H TRP 80 OK 69 70 100 100 4.2-4.6 2.4/11037=77, ~10008=52...(11) HZ2 TRP 16 - H TRP 80 far 5 100 5 - 5.3-6.7 HZ2 TRP 42 - H TRP 80 far 0 70 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 10304 from nnoeabs.peaks (2.74, 6.94, 113.29 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.98: HB3 ASP 18 + HE22 GLN 19 OK 97 100 100 97 3.4-5.0 8850/4.5=52, 8847/4.5=46...(9) HB2 ASP 18 + HE22 GLN 19 OK 31 100 45 69 4.3-6.1 ~10305=34, 10305/1.7=29...(6) HB2 ASN 108 - HE22 GLN 19 far 0 63 0 - 8.6-27.7 Violated in 1 structures by 0.00 A. Peak 10305 from nnoeabs.peaks (2.74, 7.63, 113.29 ppm; 4.37 A): 3 out of 6 assignments used, quality = 0.98: HB3 ASP 18 + HE21 GLN 19 OK 94 100 100 94 1.9-3.9 10304/1.7=51...(9) HB2 ASP 18 + HE21 GLN 19 OK 60 100 95 64 3.3-5.1 ~10304=38, 10304/1.7=16...(6) HB3 ASP 18 + HD21 ASN 20 OK 23 99 45 51 4.4-8.4 8850/520=23...(6) HB2 ASP 18 - HD21 ASN 20 poor 8 99 40 21 4.7-9.4 8862/5.7=10, 8849/8864=7...(4) HG2 GLN 81 - HD21 ASN 20 far 0 68 0 - 7.8-13.7 HB2 ASN 108 - HE21 GLN 19 far 0 71 0 - 9.2-26.4 Violated in 0 structures by 0.00 A. Peak 10317 from nnoeabs.peaks (5.37, 8.92, 123.89 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.92: HA VAL 14 + H ALA 24 OK 92 99 100 93 3.5-3.7 10770/6294=61...(8) HG1 THR 37 - H ALA 24 far 0 98 0 - 5.4-5.9 Violated in 0 structures by 0.00 A. Peak 10319 from nnoeabs.peaks (4.69, 9.00, 126.86 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.97: HA LEU 12 + H ASP 26 OK 97 100 100 97 2.9-3.1 10292/6312=72...(7) HA LEU 36 - H ASP 26 far 0 87 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 10322 from nnoeabs.peaks (0.78, 9.00, 126.86 ppm; 4.09 A): 1 out of 8 assignments used, quality = 0.95: QD1 ILE 11 + H ASP 26 OK 95 98 100 97 2.8-4.3 187/8984=55, 185=30...(16) QD2 LEU 36 - H ASP 26 far 0 99 0 - 5.1-5.3 QG2 VAL 69 - H ASP 26 far 0 100 0 - 5.8-6.1 QD1 ILE 23 - H ASP 26 far 0 85 0 - 7.7-8.4 QD2 LEU 109 - H ASP 26 far 0 85 0 - 7.8-17.3 QG2 ILE 28 - H ASP 26 far 0 100 0 - 7.9-8.1 QG2 ILE 23 - H ASP 26 far 0 87 0 - 8.3-8.9 HB3 LEU 55 - H ASP 26 far 0 99 0 - 9.2-9.7 Violated in 4 structures by 0.04 A. Peak 10325 from nnoeabs.peaks (1.10, 6.69, 109.31 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.91: QG2 THR 8 + HE22 GLN 27 OK 91 91 100 100 3.2-3.5 8168/1.7=79, 8026=66...(12) Violated in 0 structures by 0.00 A. Peak 10326 from nnoeabs.peaks (0.73, 6.69, 109.31 ppm; 3.85 A increased from 3.62 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 29 + HE22 GLN 27 OK 100 100 100 100 3.6-3.7 9074=85, 8169/1.7=82...(9) QG1 VAL 29 - HE22 GLN 27 far 0 90 0 - 5.5-5.7 QD1 ILE 11 - HE22 GLN 27 far 0 65 0 - 7.7-9.3 HB3 LEU 55 - HE22 GLN 27 far 0 59 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 10335 from nnoeabs.peaks (5.03, 0.94, 126.46 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 10349 from nnoeabs.peaks (2.05, 9.01, 117.64 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.89: HG2 GLN 27 + H SER 34 OK 89 90 100 100 2.7-4.6 1.8/9119=69...(9) HG2 PRO 35 - H SER 34 far 0 98 0 - 6.8-7.0 Violated in 1 structures by 0.02 A. Peak 10356 from nnoeabs.peaks (9.46, 8.88, 119.68 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.96: * H GLN 81 + H TRP 80 OK 96 100 100 96 2.8-2.9 4.6=72, 4.6/7165=47...(7) Violated in 0 structures by 0.00 A. Peak 10357 from nnoeabs.peaks (8.46, 8.46, 121.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 82 + H ASP 82 OK 100 100 - 100 Peak 10358 from nnoeabs.peaks (9.46, 8.46, 121.26 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.98: * H GLN 81 + H ASP 82 OK 98 100 100 98 2.6-2.8 4.6=77, 4.0/10393=50...(8) Violated in 0 structures by 0.00 A. Peak 10359 from nnoeabs.peaks (7.68, 8.46, 121.26 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.98: QD PHE 79 + H ASP 82 OK 96 100 100 96 4.5-5.1 10372/10363=68...(5) H LYS 84 + H ASP 82 OK 53 85 100 62 3.9-4.2 4.5/10361=62 HE3 TRP 16 - H ASP 82 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10360 from nnoeabs.peaks (7.68, 8.46, 121.26 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.98: QD PHE 79 + H ASP 82 OK 96 100 100 96 4.5-5.1 10372/10363=68...(5) H LYS 84 + H ASP 82 OK 53 85 100 62 3.9-4.2 4.5/10361=62 HE3 TRP 16 - H ASP 82 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10361 from nnoeabs.peaks (7.52, 8.46, 121.26 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.97: * H LEU 83 + H ASP 82 OK 97 100 100 97 2.5-2.8 10376/10378=62...(6) H GLN 86 - H ASP 82 far 0 63 0 - 6.0-6.4 HZ2 TRP 42 - H ASP 82 far 0 97 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 10362 from nnoeabs.peaks (4.42, 8.46, 121.26 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 82 + H ASP 82 OK 100 100 100 100 2.8-2.9 3.0=100 HA ASN 78 - H ASP 82 far 0 65 0 - 4.6-5.0 Violated in 0 structures by 0.00 A. Peak 10363 from nnoeabs.peaks (2.68, 8.46, 121.26 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 82 + H ASP 82 OK 100 100 100 100 2.8-3.2 10375=95, 1.8/10378=76...(7) HE2 LYS 84 - H ASP 82 far 0 95 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 10364 from nnoeabs.peaks (2.94, 8.46, 121.26 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 82 + H ASP 82 OK 100 100 100 100 2.1-2.3 10378=100, 1.8/10363=66...(8) HB3 ASN 78 - H ASP 82 far 0 63 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 10392 from nnoeabs.peaks (3.80, 8.46, 121.26 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.79: HA TRP 80 + H ASP 82 OK 79 82 100 96 3.9-4.5 3.6/10358=70...(5) HB2 PHE 79 - H ASP 82 far 15 99 15 - 5.5-5.7 HA LYS 84 - H ASP 82 far 0 100 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 10393 from nnoeabs.peaks (2.35, 8.46, 121.26 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.96: * HB2 GLN 81 + H ASP 82 OK 96 100 100 96 3.6-4.2 4.6=76, 4.0/10358=49...(7) Violated in 0 structures by 0.00 A. Peak 10416 from nnoeabs.peaks (7.09, 7.70, 120.84 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.95: QE PHE 40 + H LEU 51 OK 83 85 100 98 3.7-4.3 8157/4.6=54, 8325/2.9=37...(15) QD PHE 40 + H LEU 51 OK 67 68 100 100 3.5-4.3 9219/6626=40...(21) HZ PHE 40 - H LEU 51 far 5 100 5 - 4.8-5.4 HH2 TRP 48 - H LEU 51 far 0 97 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 10455 from nnoeabs.peaks (0.10, 6.88, 115.11 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 61 + H TRP 60 OK 100 100 100 100 2.9-3.7 6804/6790=85, 11092=70...(10) QD1 ILE 61 - H ASP 65 far 0 74 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 10479 from nnoeabs.peaks (8.39, 8.17, 121.05 ppm; 4.97 A increased from 4.19 A): 1 out of 2 assignments used, quality = 0.99: H ALA 73 + H LEU 70 OK 99 99 100 100 4.7-4.7 7023/3.0=87...(10) H ASP 53 - H LEU 70 far 0 100 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 10492 from nnoeabs.peaks (0.79, 8.38, 120.97 ppm; 3.81 A): 1 out of 9 assignments used, quality = 0.36: QD2 LEU 109 + H GLU 110 OK 36 44 100 82 3.1-4.4 4.0/3002=43, 2.1/3042=29...(6) QG2 VAL 69 - H ALA 73 far 0 100 0 - 5.1-5.1 QD1 ILE 23 - H ALA 73 far 0 75 0 - 5.1-5.3 QG2 ILE 23 - H ALA 73 far 0 94 0 - 5.7-5.9 QD1 ILE 11 - H GLU 110 far 0 58 0 - 7.8-18.7 QD1 ILE 67 - H ALA 73 far 0 96 0 - 8.1-8.2 HG2 LYS 52 - H ALA 73 far 0 99 0 - 8.4-10.9 QD1 ILE 11 - H ALA 73 far 0 93 0 - 10.0-10.5 QG1 VAL 29 - H GLU 110 far 0 41 0 - 10.0-23.3 Violated in 1 structures by 0.03 A. Peak 10514 from nnoeabs.peaks (4.54, 9.20, 127.20 ppm; 3.65 A): 0 out of 1 assignment used, quality = 0.00: HA ASP 18 - HE1 TRP 80 lone 2 99 25 8 3.2-5.4 ~10517=5, 8852/8845=2 Violated in 19 structures by 0.80 A. Peak 10519 from nnoeabs.peaks (-0.04, 9.20, 127.20 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.90: HB VAL 21 + HE1 TRP 80 OK 90 93 100 97 3.1-3.4 8879=67, 3.0/10792=65...(4) QB ALA 95 - HE1 TRP 80 far 0 96 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 10520 from nnoeabs.peaks (0.69, 9.20, 127.20 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 21 + HE1 TRP 80 OK 100 100 100 100 4.4-4.7 2.1/10519=86, 8882=79...(10) QD1 ILE 90 - HE1 TRP 80 far 0 68 0 - 7.1-8.8 Violated in 0 structures by 0.00 A. Peak 10521 from nnoeabs.peaks (7.52, 7.52, 118.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 83 + H LEU 83 OK 100 100 - 100 H GLU 75 + H GLU 75 OK 96 96 - 100 Peak 10522 from nnoeabs.peaks (8.46, 7.52, 118.83 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 82 + H LEU 83 OK 98 100 100 98 2.5-2.8 10361=81, 10378/10376=54...(6) H THR 74 + H GLU 75 OK 96 96 100 100 2.7-2.7 7049=95, 7047/2344=52...(12) H ASN 78 - H GLU 75 far 0 96 0 - 4.7-4.7 H ASN 78 - H LEU 83 far 0 98 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 10523 from nnoeabs.peaks (2.94, 7.52, 118.83 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 82 + H LEU 83 OK 100 100 100 100 3.3-3.6 4.3=100 HB3 ASN 78 + H GLU 75 OK 59 60 100 98 4.7-4.9 ~2358=52, 2359/3.0=50...(11) HB2 ASN 71 - H GLU 75 far 0 98 0 - 5.7-6.7 HB3 ASN 78 - H LEU 83 far 0 63 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 10524 from nnoeabs.peaks (2.67, 7.52, 118.83 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 82 + H LEU 83 OK 100 100 100 100 2.6-3.0 4.3=100 HE2 LYS 84 - H LEU 83 far 0 90 0 - 6.5-8.3 HB2 ASN 87 - H LEU 83 far 0 94 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 10531 from nnoeabs.peaks (3.69, 7.52, 118.83 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 83 + H LEU 83 OK 100 100 100 100 2.8-2.8 3.0=100 HB3 PHE 79 - H LEU 83 far 0 88 0 - 5.6-6.5 HB3 PHE 79 - H GLU 75 far 0 84 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 10537 from nnoeabs.peaks (1.55, 7.52, 118.83 ppm; 3.95 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 83 + H LEU 83 OK 99 99 100 100 2.6-3.6 4.0=95, 3.1/10589=67...(9) QB ALA 73 + H GLU 75 OK 81 84 100 97 4.4-4.5 3.6/7049=55, 8498/3.6=47...(8) HD2 LYS 88 - H LEU 83 far 0 82 0 - 5.0-7.1 HB3 LYS 84 - H LEU 83 far 0 77 0 - 5.1-5.6 HD3 LYS 88 - H LEU 83 far 0 82 0 - 5.4-7.7 HG13 ILE 77 - H GLU 75 far 0 81 0 - 5.8-6.1 HG LEU 12 - H GLU 75 far 0 88 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 10538 from nnoeabs.peaks (1.35, 7.52, 118.83 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.99: HG LEU 83 + H LEU 83 OK 99 100 100 99 1.9-2.5 2.1/10589=78, 5.1=41...(9) HG3 LYS 84 - H LEU 83 poor 10 84 25 46 3.6-7.3 5.1/10560=31...(3) HG3 LYS 88 - H LEU 83 far 0 81 0 - 4.6-6.3 HD3 LYS 84 - H LEU 83 far 0 90 0 - 5.0-8.3 HB3 LYS 98 - H GLU 75 far 0 56 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 10539 from nnoeabs.peaks (1.24, 7.52, 118.83 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: HB2 LEU 83 + H LEU 83 OK 100 100 100 100 2.7-3.6 4.0=100 HG2 LYS 84 - H LEU 83 poor 15 69 35 64 3.7-7.3 5.1/10560=47...(4) HD2 LYS 84 - H LEU 83 far 3 59 5 - 4.8-8.3 HG13 ILE 23 - H GLU 75 far 0 96 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 10540 from nnoeabs.peaks (0.58, 7.52, 118.83 ppm; 3.88 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 83 + H LEU 83 OK 94 94 100 100 3.5-3.9 2.1/10589=81...(8) QD2 LEU 83 + H LEU 83 OK 91 91 100 100 2.2-2.9 10589=91, 10579/3.0=72...(12) QD1 ILE 77 - H GLU 75 far 0 98 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 10560 from nnoeabs.peaks (7.66, 7.52, 118.83 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.96: * H LYS 84 + H LEU 83 OK 96 100 100 96 2.6-2.7 4.5=65, 10558/4.0=44...(10) QD PHE 79 - H LEU 83 far 0 81 0 - 4.7-5.2 QD PHE 79 - H GLU 75 far 0 76 0 - 8.1-8.3 HE3 TRP 16 - H LEU 83 far 0 90 0 - 8.7-9.5 H VAL 69 - H GLU 75 far 0 81 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 10616 from nnoeabs.peaks (8.88, 8.46, 121.26 ppm; 5.64 A): 1 out of 1 assignment used, quality = 1.00: H TRP 80 + H ASP 82 OK 100 100 100 100 4.0-4.3 2.9/10392=83...(6) Violated in 0 structures by 0.00 A. Peak 10617 from nnoeabs.peaks (8.46, 9.45, 118.83 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 82 + H GLN 81 OK 100 100 100 100 2.6-2.8 4.6=100 H ASN 78 + H GLN 81 OK 96 99 100 97 4.9-5.1 2.9/9985=85...(4) H ALA 22 - H GLN 81 far 0 100 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 10618 from nnoeabs.peaks (7.53, 9.45, 118.83 ppm; 6.00 A): 1 out of 5 assignments used, quality = 0.99: H LEU 83 + H GLN 81 OK 99 100 100 99 4.1-4.4 10980/3.6=91...(4) HZ2 TRP 42 - H GLN 81 lone 10 94 100 11 5.0-5.5 5601/11291=9 HD21 ASN 78 - H GLN 81 far 0 63 0 - 7.8-7.9 H GLN 86 - H GLN 81 far 0 71 0 - 8.3-8.4 H GLU 75 - H GLN 81 far 0 100 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 10619 from nnoeabs.peaks (7.31, 9.45, 118.83 ppm; 5.22 A): 1 out of 8 assignments used, quality = 0.97: HE3 TRP 80 + H GLN 81 OK 97 98 100 99 2.2-2.4 10659/3.0=62, 11291=61...(9) HE22 GLN 81 - H GLN 81 far 9 92 10 - 5.6-6.9 QE PHE 79 - H GLN 81 far 0 100 0 - 6.8-7.6 HH2 TRP 42 - H GLN 81 far 0 63 0 - 7.0-7.7 QD PHE 99 - H GLN 81 far 0 98 0 - 8.9-9.3 QE PHE 104 - H GLN 81 far 0 100 0 - 9.0-9.8 HZ3 TRP 42 - H GLN 81 far 0 88 0 - 9.1-9.6 H ASN 20 - H GLN 81 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10621 from nnoeabs.peaks (5.67, 9.45, 118.83 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 10622 from nnoeabs.peaks (4.39, 9.45, 118.83 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 78 + H GLN 81 OK 99 99 100 100 3.8-3.9 9985=99, 9989/4.0=87...(5) HA ASP 82 + H GLN 81 OK 80 80 100 100 5.2-5.4 3.0/10358=95...(6) HA ASN 85 - H GLN 81 far 0 77 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 10623 from nnoeabs.peaks (3.86, 9.45, 118.83 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 81 + H GLN 81 OK 100 100 100 100 2.8-2.8 3.0=100 HD3 PRO 43 - H GLN 81 far 0 100 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 10624 from nnoeabs.peaks (3.80, 9.45, 118.83 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.99: HB2 PHE 79 + H GLN 81 OK 96 99 100 97 5.7-6.1 2509/10356=79...(3) HA TRP 80 + H GLN 81 OK 84 84 100 100 3.5-3.6 3.6=100 HA LYS 84 - H GLN 81 far 0 99 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 10625 from nnoeabs.peaks (3.48, 9.45, 118.83 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HB3 TRP 80 + H GLN 81 OK 100 100 100 100 2.5-2.7 4.6=100 HA PRO 43 - H GLN 81 far 0 63 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10626 from nnoeabs.peaks (2.64, 9.45, 118.83 ppm; 5.28 A): 2 out of 2 assignments used, quality = 0.99: * HB3 GLN 81 + H GLN 81 OK 98 98 100 100 2.2-2.9 4.0=100 HB2 ASP 82 + H GLN 81 OK 54 61 100 88 5.4-5.8 4.0/10358=71...(3) Violated in 0 structures by 0.00 A. Peak 10627 from nnoeabs.peaks (2.36, 9.45, 118.83 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 81 + H GLN 81 OK 100 100 100 100 2.2-3.5 4.0=100 HB3 LEU 17 - H GLN 81 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 10629 from nnoeabs.peaks (2.50, 8.46, 121.26 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.97: HG3 GLN 81 + H ASP 82 OK 97 100 100 97 2.2-5.4 3.0/10393=83...(5) HG3 GLN 86 - H ASP 82 poor 20 99 50 40 5.6-6.0 10633/3.0=39 Violated in 3 structures by 0.02 A. Peak 10630 from nnoeabs.peaks (3.86, 8.46, 121.26 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 81 + H ASP 82 OK 100 100 100 100 3.5-3.5 3.6=100 HD3 PRO 43 - H ASP 82 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10632 from nnoeabs.peaks (4.38, 8.46, 121.26 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.75: HA ASP 82 + H ASP 82 OK 75 75 100 100 2.8-2.9 3.0=100 HA ASN 78 - H ASP 82 far 0 100 0 - 4.6-5.0 HA ASN 85 - H ASP 82 far 0 82 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 10634 from nnoeabs.peaks (4.73, 8.46, 121.26 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.99: HA PHE 79 + H ASP 82 OK 99 99 100 100 3.3-3.5 10370/10378=93...(4) Violated in 0 structures by 0.00 A. Peak 10703 from nnoeabs.peaks (3.65, 7.26, 115.86 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.99: HD3 PRO 100 + H PHE 99 OK 91 91 100 100 3.6-4.6 4.8=100 HA2 GLY 97 + H PHE 99 OK 89 93 100 96 4.2-4.8 3.6/10142=87, 3.0/10141=71 HB3 PHE 79 - H PHE 99 far 0 92 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 10732 from nnoeabs.peaks (8.62, 8.86, 116.56 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: H PHE 104 + H SER 105 OK 100 100 100 100 4.3-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 10733 from nnoeabs.peaks (9.18, 8.86, 116.56 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.97: H TRP 16 + H SER 105 OK 97 99 100 98 3.3-4.2 3.6/10249=55...(10) Violated in 0 structures by 0.00 A. Peak 10761 from nnoeabs.peaks (0.03, 7.01, 118.78 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.93: HG12 ILE 61 + H LYS 58 OK 93 99 100 94 3.2-3.9 10760/3.0=40, ~9546=37...(12) HG13 ILE 61 - H LYS 58 poor 20 100 20 - 3.4-5.5 Violated in 0 structures by 0.00 A. Peak 10769 from nnoeabs.peaks (3.42, 8.80, 113.81 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.83: HB3 PHE 40 + H ILE 23 OK 83 84 100 100 4.3-4.6 4.1/8562=92, 8914/627=78...(5) HA ILE 77 - H ILE 23 far 0 85 0 - 7.4-7.7 HB3 TRP 48 - H ILE 23 far 0 79 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 10774 from nnoeabs.peaks (6.61, 8.80, 113.81 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 39 + H ILE 23 OK 99 100 100 100 3.4-4.6 8134/602=91, 4.6/8562=75...(6) Violated in 0 structures by 0.00 A. Peak 10776 from nnoeabs.peaks (7.28, 11.12, 131.18 ppm; 5.36 A): 2 out of 3 assignments used, quality = 1.00: HH2 TRP 42 + HE1 TRP 42 OK 100 100 100 100 5.0-5.0 5.0=100 HE3 TRP 80 + HE1 TRP 42 OK 91 92 100 100 2.8-3.2 2.5/10777=72...(10) H ASN 20 - HE1 TRP 42 far 0 77 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 10777 from nnoeabs.peaks (7.22, 11.12, 131.18 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.99: HZ3 TRP 80 + HE1 TRP 42 OK 99 100 100 99 2.2-2.9 10723=75, 10712/2.6=74...(8) HD21 ASN 85 - HE1 TRP 42 far 0 99 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 10792 from nnoeabs.peaks (4.45, 9.20, 127.20 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.92: HA VAL 21 + HE1 TRP 80 OK 92 100 100 92 4.3-4.7 3.0/10519=64...(4) HA ASP 82 - HE1 TRP 80 far 0 70 0 - 9.5-10.0 Violated in 4 structures by 0.01 A. Peak 10798 from nnoeabs.peaks (3.12, 7.76, 123.66 ppm; 5.72 A): 1 out of 2 assignments used, quality = 1.00: HB3 PHE 99 + H VAL 102 OK 100 100 100 100 2.9-3.6 1.8/10214=96...(8) HB3 ASN 71 - H VAL 102 far 0 97 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10799 from nnoeabs.peaks (5.25, 8.62, 127.23 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: HA PHE 104 + H PHE 104 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 10800 from nnoeabs.peaks (5.11, 8.85, 126.44 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.96: HA VAL 25 + H LYS 13 OK 96 100 100 96 2.6-2.8 10292/6111=60...(8) Violated in 0 structures by 0.00 A. Peak 10803 from nnoeabs.peaks (5.26, 8.54, 119.92 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.97: HA PHE 104 + H VAL 14 OK 97 98 100 99 3.2-3.7 10242=85, 10233/10234=49...(6) Violated in 0 structures by 0.00 A. Peak 10804 from nnoeabs.peaks (0.79, 8.89, 126.92 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.97: QG2 ILE 23 + H LEU 15 OK 97 99 100 98 3.8-4.2 10770/3.6=74...(7) QD1 ILE 23 - H LEU 15 far 0 59 0 - 6.5-6.8 QD2 LEU 109 - H LEU 15 far 0 59 0 - 7.3-16.7 Violated in 0 structures by 0.00 A. Peak 10805 from nnoeabs.peaks (4.74, 9.17, 129.32 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.79: HA TRP 16 + H TRP 16 OK 79 79 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 10806 from nnoeabs.peaks (2.36, 6.92, 124.25 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 17 + H LEU 17 OK 100 100 100 100 2.1-2.4 4.0=100 HB2 PHE 41 - H LEU 17 far 0 85 0 - 9.0-11.2 HG3 GLN 19 - H LEU 17 far 0 68 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10807 from nnoeabs.peaks (4.56, 8.40, 118.06 ppm; 5.68 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 18 + H ASP 18 OK 100 100 100 100 2.9-2.9 3.0=100 HB THR 37 - H ASP 53 far 0 60 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 10808 from nnoeabs.peaks (5.10, 7.63, 113.39 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 20 + HD21 ASN 20 OK 100 100 100 100 2.2-4.3 4.4=100 HA ASN 20 - HE21 GLN 19 far 0 99 0 - 5.9-7.9 Violated in 0 structures by 0.00 A. Peak 10809 from nnoeabs.peaks (-0.02, 8.68, 116.09 ppm; 5.89 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 21 + H VAL 21 OK 100 100 100 100 3.3-3.5 4.0=100 QB ALA 95 - H VAL 21 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10810 from nnoeabs.peaks (1.52, 8.92, 123.89 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 12 + H ALA 24 OK 99 99 100 100 3.2-3.8 2.1/10845=99...(9) QB ALA 73 + H ALA 24 OK 98 100 100 99 4.3-5.0 8493/650=54...(9) HB3 LEU 51 - H ALA 24 far 7 68 10 - 5.3-6.9 Violated in 0 structures by 0.00 A. Peak 10811 from nnoeabs.peaks (7.23, 7.17, 109.31 ppm; 3.05 A): 2 out of 4 assignments used, quality = 0.87: HH2 TRP 60 + HE21 GLN 27 OK 66 79 100 84 2.6-2.8 10812/1.7=65...(10) HZ3 TRP 60 + HE21 GLN 27 OK 60 99 85 72 3.5-3.7 ~10812=30, 10833/1.7=18...(9) QE PHE 10 - HE21 GLN 27 far 0 91 0 - 5.3-5.6 HD1 TRP 60 - HE21 GLN 27 far 0 70 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 10812 from nnoeabs.peaks (7.24, 6.69, 109.31 ppm; 3.18 A increased from 2.99 A): 1 out of 3 assignments used, quality = 0.73: HH2 TRP 60 + HE22 GLN 27 OK 73 88 100 83 2.9-3.2 10811/1.7=38...(12) HZ3 TRP 60 - HE22 GLN 27 far 0 96 0 - 4.2-4.5 QE PHE 10 - HE22 GLN 27 far 0 96 0 - 5.5-6.0 Violated in 1 structures by 0.00 A. Peak 10813 from nnoeabs.peaks (8.19, 8.00, 109.20 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.98: H VAL 29 + H GLY 32 OK 98 100 100 98 3.4-3.5 9079=52, 809/8210=41...(10) Violated in 3 structures by 0.00 A. Peak 10814 from nnoeabs.peaks (8.73, 8.00, 109.20 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 10815 from nnoeabs.peaks (7.71, 8.28, 114.78 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: H TYR 39 + H SER 38 OK 100 100 100 100 4.5-4.5 4.6=100 H LEU 51 - H SER 38 far 0 97 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 10816 from nnoeabs.peaks (7.84, 8.41, 115.44 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.93: H ALA 47 + H TRP 48 OK 93 93 100 100 2.8-3.0 4.6=100 HE22 GLN 49 - H TRP 48 far 0 100 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 10817 from nnoeabs.peaks (3.39, 7.57, 118.11 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.95: HB3 TRP 48 + H GLN 49 OK 95 100 100 95 2.3-3.8 4.6=81, 4.2/9352=50, 4.0/9353=50 HB3 PHE 40 - H GLN 49 far 0 100 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 10820 from nnoeabs.peaks (4.68, 8.47, 124.69 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: HA HIS 7 + H HIS 7 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 10821 from nnoeabs.peaks (0.86, 8.07, 118.01 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 6 + H THR 8 OK 87 88 100 99 1.8-2.6 8673/4.0=83...(7) QG1 VAL 6 + H THR 8 OK 81 94 100 86 1.9-4.4 8678/8675=35, 69/4.7=34...(6) QG1 VAL 69 - H THR 8 far 0 75 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10822 from nnoeabs.peaks (7.22, 8.77, 119.80 ppm; 6.00 A): 1 out of 4 assignments used, quality = 0.99: HD21 ASN 85 + H ASN 85 OK 99 99 100 100 3.4-4.0 5.6=100 HZ3 TRP 80 - H ASN 85 far 0 100 0 - 7.9-8.4 HZ3 TRP 80 - H ALA 45 far 0 35 0 - 9.0-10.1 HZ PHE 79 - H ASN 85 far 0 79 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 10823 from nnoeabs.peaks (1.41, 8.79, 119.01 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.77: HB2 LYS 88 + H ILE 90 OK 77 88 100 88 2.6-3.1 9473/4.7=58, 3.0/7602=35...(5) HG3 LYS 84 - H ILE 90 far 0 59 0 - 7.6-12.0 Violated in 0 structures by 0.00 A. Peak 10901 from nnoeabs.peaks (3.03, 7.59, 125.96 ppm; 5.54 A increased from 5.21 A): 1 out of 1 assignment used, quality = 0.98: HB3 PHE 41 + H ARG 44 OK 98 100 100 98 4.1-5.5 10902/1269=80...(4) Violated in 0 structures by 0.00 A. Peak 10956 from nnoeabs.peaks (1.87, 7.64, 117.56 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLN 96 + HE22 GLN 96 OK 100 100 100 100 3.6-4.6 4.6=100 HB VAL 103 - HE22 GLN 96 far 15 100 15 - 4.1-7.0 HB3 LEU 12 - HE22 GLN 96 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 10957 from nnoeabs.peaks (3.70, 7.64, 117.56 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 96 + HE22 GLN 96 OK 100 100 100 100 1.9-3.9 10960=98, 10696/10959=43...(10) HA2 GLY 97 - HE22 GLN 96 far 11 71 15 - 5.4-7.8 Violated in 0 structures by 0.00 A. Peak 10958 from nnoeabs.peaks (7.27, 7.64, 117.56 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.63: QE PHE 104 + HE22 GLN 96 OK 63 63 100 99 3.1-4.3 11260/1.7=62...(13) H PHE 99 - HE22 GLN 96 far 0 95 0 - 5.3-7.6 QD PHE 99 - HE22 GLN 96 far 0 82 0 - 6.8-8.4 QE PHE 79 - HE22 GLN 96 far 0 73 0 - 9.5-11.6 Violated in 3 structures by 0.00 A. Peak 10959 from nnoeabs.peaks (7.18, 7.64, 117.56 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 104 + HE22 GLN 96 OK 99 99 100 100 1.9-2.2 2.2/10958=94...(18) HD1 TRP 16 - HE22 GLN 96 far 0 84 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 10967 from nnoeabs.peaks (7.01, 7.03, 114.47 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: * HE21 GLN 81 + HE21 GLN 81 OK 99 99 - 100 HD21 ASN 68 + HD21 ASN 68 OK 25 25 - 100 Peak 10968 from nnoeabs.peaks (7.33, 7.03, 114.47 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HE22 GLN 81 + HE21 GLN 81 OK 100 100 100 100 1.7-1.7 1.7=100 HE3 TRP 80 - HE21 GLN 81 far 4 73 5 - 3.4-6.3 HZ3 TRP 42 - HE21 GLN 81 far 0 100 0 - 7.7-11.2 H ASN 20 - HE21 GLN 81 far 0 89 0 - 8.2-11.4 HH2 TRP 16 - HE21 GLN 81 far 0 88 0 - 9.6-12.3 HZ PHE 10 - HD21 ASN 68 far 0 48 0 - 9.8-10.3 QE PHE 79 - HE21 GLN 81 far 0 82 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 10969 from nnoeabs.peaks (7.01, 7.33, 114.47 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.99: * HE21 GLN 81 + HE22 GLN 81 OK 99 99 100 100 1.7-1.7 1.7=100 HE21 GLN 81 - H ASN 20 far 0 45 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 10971 from nnoeabs.peaks (7.33, 7.33, 114.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 81 + HE22 GLN 81 OK 100 100 - 100 H ASN 20 + H ASN 20 OK 42 42 - 100 Peak 10974 from nnoeabs.peaks (2.80, 7.03, 114.47 ppm; 6.00 A): 3 out of 3 assignments used, quality = 0.99: HG2 GLN 81 + HE21 GLN 81 OK 94 94 100 100 2.1-3.8 3.5=100 HE3 LYS 84 + HE21 GLN 81 OK 72 100 90 80 3.6-7.2 3295/10979=51...(6) HB2 PHE 10 + HD21 ASN 68 OK 29 41 100 71 4.2-4.6 8453/8459=48...(4) Violated in 0 structures by 0.00 A. Peak 10975 from nnoeabs.peaks (2.80, 7.33, 114.47 ppm; 6.00 A): 3 out of 4 assignments used, quality = 0.97: HG2 GLN 81 + HE22 GLN 81 OK 88 88 100 100 2.7-4.1 3.5=100 HE3 LYS 84 + HE22 GLN 81 OK 60 100 80 76 3.3-8.9 3295/10978=34...(5) HE3 LYS 84 + H ASN 20 OK 27 47 95 61 5.7-6.6 9425/3.6=38...(3) HG2 GLN 81 - H ASN 20 far 0 36 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 10976 from nnoeabs.peaks (2.49, 7.03, 114.47 ppm; 4.80 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLN 81 + HE21 GLN 81 OK 99 99 100 100 2.1-3.6 3.5=100 HB2 ASP 65 - HD21 ASN 68 far 0 32 0 - 6.3-6.6 HG3 GLN 86 - HE21 GLN 81 far 0 95 0 - 6.9-10.2 Violated in 0 structures by 0.00 A. Peak 10977 from nnoeabs.peaks (2.49, 7.33, 114.47 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: HG3 GLN 81 + HE22 GLN 81 OK 100 100 100 100 2.3-4.1 3.5=100 HG3 GLN 86 - HE22 GLN 81 far 0 97 0 - 7.3-11.5 HG3 GLN 81 - H ASN 20 far 0 46 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 10978 from nnoeabs.peaks (0.85, 7.33, 114.47 ppm; 5.53 A): 3 out of 7 assignments used, quality = 0.92: HB2 LYS 84 + HE22 GLN 81 OK 74 99 85 88 3.3-7.7 10979/1.7=52...(5) QD2 LEU 17 + H ASN 20 OK 46 47 100 100 4.0-4.4 3.1/8843=76...(12) QD1 LEU 17 + H ASN 20 OK 44 44 100 100 3.4-3.6 3.1/8843=76...(9) QD1 LEU 109 - H ASN 20 far 0 46 0 - 7.9-21.5 HB2 LYS 84 - H ASN 20 far 0 45 0 - 8.0-9.3 QD1 LEU 17 - HE22 GLN 81 far 0 98 0 - 9.2-12.8 HG LEU 15 - H ASN 20 far 0 46 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10979 from nnoeabs.peaks (0.84, 7.03, 114.47 ppm; 6.00 A): 1 out of 10 assignments used, quality = 0.86: HB2 LYS 84 + HE21 GLN 81 OK 86 100 100 86 2.6-6.0 11174/5.9=56...(6) QG2 VAL 25 - HD21 ASN 68 poor 19 51 100 37 5.3-5.5 9402/9793=11...(4) QD1 LEU 12 - HD21 ASN 68 poor 12 52 100 23 6.3-6.5 10921/9791=9...(3) QG2 ILE 11 - HD21 ASN 68 lone 1 50 100 2 4.4-4.7 QG2 VAL 102 - HD21 ASN 68 far 0 52 0 - 6.8-7.0 QD1 LEU 51 - HD21 ASN 68 far 0 46 0 - 7.5-7.8 QG1 VAL 103 - HD21 ASN 68 far 0 34 0 - 8.0-9.8 QD1 ILE 67 - HD21 ASN 68 far 0 24 0 - 8.1-8.3 QG2 ILE 23 - HE21 GLN 81 far 0 61 0 - 9.0-11.9 QD1 LEU 17 - HE21 GLN 81 far 0 100 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 10990 from nnoeabs.peaks (9.41, 9.41, 129.72 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 10991 from nnoeabs.peaks (7.03, 7.03, 125.38 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 11037 from nnoeabs.peaks (7.36, 8.88, 119.68 ppm; 4.58 A increased from 4.31 A): 1 out of 2 assignments used, quality = 1.00: HH2 TRP 16 + H TRP 80 OK 100 100 100 100 3.6-4.4 10008/2.9=81...(12) HE22 GLN 81 - H TRP 80 far 0 81 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 11050 from nnoeabs.peaks (6.38, 8.89, 126.92 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.70: QE TYR 39 + H LEU 15 OK 70 71 100 98 2.4-3.5 8890/8887=71...(9) Violated in 0 structures by 0.00 A. Peak 11056 from nnoeabs.peaks (8.77, 9.30, 125.35 ppm; 5.73 A): 2 out of 2 assignments used, quality = 0.88: H ALA 45 + H TRP 42 OK 68 70 100 97 4.1-4.3 8294/3.0=66, 9267/4.8=46...(9) H ILE 23 + H TRP 42 OK 63 65 100 96 5.0-5.4 3.7/9236=80...(4) Violated in 0 structures by 0.00 A. Peak 11066 from nnoeabs.peaks (3.85, 8.68, 116.09 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.85: HD3 PRO 43 + H VAL 21 OK 85 99 100 87 4.5-4.9 9245/3.6=86 HA GLN 81 - H VAL 21 far 0 99 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 11067 from nnoeabs.peaks (3.16, 8.68, 116.09 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: HB3 TRP 42 + H VAL 21 OK 99 100 100 99 4.6-4.9 8117/6267=90...(3) HB2 TRP 42 + H VAL 21 OK 84 100 100 85 5.8-6.1 3.8/8877=75, 9239/6267=38 HB2 TRP 16 - H VAL 21 far 0 84 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 11124 from nnoeabs.peaks (6.92, 9.20, 127.20 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.78: * H LEU 17 + HE1 TRP 80 OK 78 100 100 78 3.8-4.4 8841/10792=51...(4) HE22 GLN 19 - HE1 TRP 80 far 0 97 0 - 6.9-9.4 QD PHE 41 - HE1 TRP 80 far 0 91 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 11128 from nnoeabs.peaks (3.77, 7.52, 118.83 ppm; 5.14 A): 2 out of 4 assignments used, quality = 1.00: HA TRP 80 + H LEU 83 OK 100 100 100 100 3.3-3.7 10980=100...(9) HA LYS 84 + H LEU 83 OK 56 59 100 95 5.2-5.3 2.9/10560=88...(6) HB2 PHE 79 - H LEU 83 far 0 88 0 - 6.3-6.7 HB2 PHE 79 - H GLU 75 far 0 84 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 11133 from nnoeabs.peaks (3.99, 8.66, 111.12 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.96: HA2 GLY 106 + H GLY 106 OK 96 96 100 100 3.0-3.0 2.9=100 HA ALA 93 - H GLY 106 far 0 92 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 11134 from nnoeabs.peaks (3.65, 6.69, 109.31 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HB3 SER 34 + HE22 GLN 27 OK 100 100 100 100 4.1-5.0 10350/10326=98...(9) HB2 SER 9 - HE22 GLN 27 far 0 100 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 11135 from nnoeabs.peaks (3.66, 7.17, 109.31 ppm; 5.25 A): 1 out of 4 assignments used, quality = 1.00: HB3 SER 34 + HE21 GLN 27 OK 100 100 100 100 3.5-4.7 8188/8169=91...(9) HD2 PRO 35 - HE21 GLN 27 far 0 65 0 - 6.8-7.5 HB2 SER 9 - HE21 GLN 27 far 0 98 0 - 7.8-8.4 HB3 SER 9 - HE21 GLN 27 far 0 99 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 11137 from nnoeabs.peaks (5.38, 7.82, 106.16 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.93: HG1 THR 37 + H THR 37 OK 93 94 100 99 2.5-3.0 4.7=84, 3.0/1075=79...(10) Violated in 0 structures by 0.00 A. Peak 11187 from nnoeabs.peaks (0.13, 8.89, 126.92 ppm; 5.85 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 22 + H LEU 15 OK 100 100 100 100 3.6-3.9 8887=100, 8128/4.0=93...(10) QD1 LEU 15 + H LEU 15 OK 99 99 100 100 4.2-4.4 4.8=100 Violated in 0 structures by 0.00 A. Peak 11193 from nnoeabs.peaks (8.88, 8.46, 129.29 ppm; 4.98 A): 1 out of 5 assignments used, quality = 0.97: H LEU 15 + H ALA 22 OK 97 98 100 99 3.5-3.8 8887/2.9=80, 8820=77...(10) H ALA 24 - H ALA 22 far 0 59 0 - 7.4-7.6 H SER 105 - H ALA 22 far 0 95 0 - 8.4-9.0 H TRP 80 - H ALA 22 far 0 100 0 - 9.3-9.8 H LYS 13 - H ALA 22 far 0 81 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 11194 from nnoeabs.peaks (1.22, 8.46, 129.29 ppm; 5.96 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 15 + H ALA 22 OK 100 100 100 100 2.5-2.9 8128/2.9=100, 11188=98...(12) HG13 ILE 23 + H ALA 22 OK 100 100 100 100 6.4-6.6 8910/3.0=85, 635/4.6=84...(7) HD2 LYS 84 - H ALA 22 far 0 88 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 11195 from nnoeabs.peaks (0.98, 8.46, 129.29 ppm; 6.00 A): 3 out of 3 assignments used, quality = 0.98: HB2 LEU 15 + H ALA 22 OK 90 90 100 100 3.7-4.4 ~8128=88, 1.8/11188=84...(9) QG1 VAL 14 + H ALA 22 OK 69 75 100 91 4.2-4.7 4.2/11193=75...(6) QG1 VAL 76 + H ALA 22 OK 46 61 100 75 6.1-6.4 8500/594=60, 8866/4.3=33 Violated in 0 structures by 0.00 A. Peak 11196 from nnoeabs.peaks (0.84, 8.46, 129.29 ppm; 4.99 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 17 + H ALA 22 OK 99 100 100 100 2.9-3.4 8126/2.9=93...(8) QD2 LEU 17 + H ALA 22 OK 98 100 100 98 4.9-5.4 ~8126=63, ~8705=50...(8) QG2 ILE 23 + H ALA 22 OK 57 57 100 99 4.5-4.6 11149/594=67...(11) HG LEU 15 + H ALA 22 OK 25 100 25 100 5.5-5.8 ~8125=57, 3.0/11188=50...(11) QD1 LEU 109 - H ALA 22 far 0 100 0 - 6.6-17.7 QD1 LEU 12 - H ALA 22 far 0 100 0 - 8.2-8.4 QG1 VAL 103 - H ALA 22 far 0 81 0 - 8.4-10.4 QG2 VAL 102 - H ALA 22 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 11202 from nnoeabs.peaks (7.16, 9.17, 129.32 ppm; 5.39 A): 2 out of 2 assignments used, quality = 1.00: HD1 TRP 16 + H TRP 16 OK 98 100 100 98 5.3-5.4 5.4=96, 5.1/11203=46 QD PHE 104 + H TRP 16 OK 91 95 100 96 3.6-4.4 4.5/10733=54...(6) Violated in 0 structures by 0.00 A. Peak 11203 from nnoeabs.peaks (7.68, 9.17, 129.32 ppm; 5.76 A): 1 out of 5 assignments used, quality = 0.94: HE3 TRP 16 + H TRP 16 OK 94 100 100 94 3.8-4.0 6.0=88, 5.1/11202=29...(4) HD21 ASN 108 - H TRP 16 far 0 63 0 - 6.6-16.8 HE22 GLN 96 - H TRP 16 far 0 61 0 - 8.2-10.0 QD PHE 79 - H TRP 16 far 0 99 0 - 9.2-10.2 H GLU 94 - H TRP 16 far 0 73 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 11215 from nnoeabs.peaks (8.18, 8.24, 113.07 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.93: H VAL 29 + H THR 33 OK 93 93 100 100 3.8-4.0 8226/3.0=76...(9) Violated in 0 structures by 0.00 A. Peak 11224 from nnoeabs.peaks (1.30, 8.54, 119.92 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HB2 LYS 13 + H VAL 14 OK 100 100 100 100 3.5-4.3 4.6=100 HB3 LYS 98 - H VAL 14 far 0 99 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 11225 from nnoeabs.peaks (1.62, 8.54, 119.92 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.94: HB3 LYS 13 + H VAL 14 OK 94 94 100 100 3.1-4.2 4.6=100 HB ILE 11 - H VAL 14 far 0 98 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 11260 from nnoeabs.peaks (7.27, 7.92, 117.56 ppm; 4.91 A increased from 4.62 A): 1 out of 3 assignments used, quality = 0.61: QE PHE 104 + HE21 GLN 96 OK 61 61 100 100 4.5-4.7 10958/1.7=92...(12) H PHE 99 - HE21 GLN 96 far 0 96 0 - 6.7-7.5 QD PHE 99 - HE21 GLN 96 far 0 81 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 11261 from nnoeabs.peaks (1.59, 9.18, 119.24 ppm; 5.70 A increased from 5.36 A): 1 out of 5 assignments used, quality = 0.88: HG LEU 36 + H GLN 27 OK 88 88 100 100 5.5-5.8 2.1/9142=97, 3.0/8997=89...(11) HB ILE 28 - H GLN 27 far 0 75 0 - 6.6-6.7 HD2 LYS 58 - H GLN 27 far 0 73 0 - 7.9-8.9 HB3 LYS 13 - H GLN 27 far 0 99 0 - 8.4-9.2 HB3 LEU 109 - H GLN 27 far 0 70 0 - 9.8-22.0 Violated in 1 structures by 0.01 A. Peak 11262 from nnoeabs.peaks (0.84, 8.47, 124.69 ppm; 5.44 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 6 + H HIS 7 OK 100 100 100 100 2.0-3.5 4.3=100 QG1 VAL 6 + H HIS 7 OK 100 100 100 100 1.9-4.2 4.3=100 Violated in 0 structures by 0.00 A. Peak 11263 from nnoeabs.peaks (7.99, 6.96, 110.41 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HD22 ASN 68 + HE21 GLN 72 OK 100 100 100 100 4.1-4.2 1.7/9784=98, 9785=98...(4) Violated in 0 structures by 0.00 A. Peak 11264 from nnoeabs.peaks (4.38, 7.64, 117.56 ppm; 5.39 A): 1 out of 2 assignments used, quality = 0.98: HA VAL 103 + HE22 GLN 96 OK 98 100 100 98 2.9-4.0 10728/1.7=89...(5) HA GLU 101 - HE22 GLN 96 far 0 65 0 - 7.9-9.5 Violated in 0 structures by 0.00 A. Peak 9 from cnoeabs.peaks (4.34, 4.34, 52.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 3 + HA ALA 3 OK 100 100 - 100 Peak 10 from cnoeabs.peaks (1.39, 4.34, 52.22 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 3 + HA ALA 3 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 13 from cnoeabs.peaks (4.34, 1.39, 18.93 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 3 + QB ALA 3 OK 100 100 100 100 2.1-2.1 2.1=100 HA THR 5 - QB ALA 3 far 0 100 0 - 4.8-6.9 Violated in 0 structures by 0.00 A. Peak 14 from cnoeabs.peaks (1.39, 1.39, 18.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 3 + QB ALA 3 OK 100 100 - 100 Peak 32 from cnoeabs.peaks (4.33, 4.33, 61.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 5 + HA THR 5 OK 100 100 - 100 Peak 33 from cnoeabs.peaks (4.19, 4.33, 61.50 ppm; 2.97 A increased from 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 5 + HA THR 5 OK 100 100 100 100 2.2-3.0 37=100, 2.1/34=69...(7) HA ALA 62 - HA THR 5 far 0 100 0 - 8.1-13.4 Violated in 0 structures by 0.00 A. Peak 34 from cnoeabs.peaks (1.13, 4.33, 61.50 ppm; 2.62 A): 1 out of 1 assignment used, quality = 0.94: * QG2 THR 5 + HA THR 5 OK 94 100 100 94 2.1-3.1 42=78, 2.1/37=49...(8) Violated in 2 structures by 0.04 A. Peak 35 from cnoeabs.peaks (8.14, 4.33, 61.50 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 6 + HA THR 5 OK 100 100 100 100 2.2-2.7 6027=100, 4.1/34=32...(7) Violated in 0 structures by 0.00 A. Peak 37 from cnoeabs.peaks (4.33, 4.19, 69.34 ppm; 2.92 A increased from 2.60 A): 1 out of 2 assignments used, quality = 0.99: * HA THR 5 + HB THR 5 OK 99 100 100 99 2.2-3.0 33=96, 34/2.1=68...(7) HA ALA 3 - HB THR 5 far 0 100 0 - 6.8-9.0 Violated in 1 structures by 0.00 A. Peak 38 from cnoeabs.peaks (4.19, 4.19, 69.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 5 + HB THR 5 OK 100 100 - 100 Peak 39 from cnoeabs.peaks (1.13, 4.19, 69.34 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 5 + HB THR 5 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 40 from cnoeabs.peaks (8.14, 4.19, 69.34 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 6 + HB THR 5 OK 99 100 100 99 2.1-3.8 6028=85, 6027/37=81...(5) Violated in 0 structures by 0.00 A. Peak 42 from cnoeabs.peaks (4.33, 1.13, 21.22 ppm; 2.84 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 5 + QG2 THR 5 OK 100 100 100 100 2.1-3.1 34=100, 37/2.1=57...(8) HA ALA 3 - QG2 THR 5 far 0 100 0 - 4.8-8.1 Violated in 2 structures by 0.02 A. Peak 43 from cnoeabs.peaks (4.19, 1.13, 21.22 ppm; 2.55 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 5 + QG2 THR 5 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 62 - QG2 THR 5 far 0 100 0 - 6.7-12.0 Violated in 0 structures by 0.00 A. Peak 44 from cnoeabs.peaks (1.13, 1.13, 21.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 5 + QG2 THR 5 OK 100 100 - 100 Peak 45 from cnoeabs.peaks (8.14, 1.13, 21.22 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 6 + QG2 THR 5 OK 100 100 100 100 2.1-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 46 from cnoeabs.peaks (8.14, 4.10, 61.82 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 6 + HA VAL 6 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 47 from cnoeabs.peaks (4.10, 4.10, 61.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 6 + HA VAL 6 OK 100 100 - 100 Peak 48 from cnoeabs.peaks (1.99, 4.10, 61.82 ppm; 3.07 A increased from 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 6 + HA VAL 6 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HA VAL 6 far 0 96 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 49 from cnoeabs.peaks (0.84, 4.10, 61.82 ppm; 2.49 A): 2 out of 2 assignments used, quality = 0.88: QG2 VAL 6 + HA VAL 6 OK 84 100 100 84 2.3-2.5 3.2=47, 2.1/65=20...(15) * QG1 VAL 6 + HA VAL 6 OK 25 100 30 83 2.4-3.2 3.2=47, 6032/3.0=24...(12) Violated in 0 structures by 0.00 A. Peak 50 from cnoeabs.peaks (0.84, 4.10, 61.82 ppm; 2.49 A): 2 out of 2 assignments used, quality = 0.88: * QG2 VAL 6 + HA VAL 6 OK 85 100 100 85 2.3-2.5 3.2=47, 2.1/65=20...(15) QG1 VAL 6 + HA VAL 6 OK 25 100 30 83 2.4-3.2 3.2=47, 6033/3.0=24...(12) Violated in 0 structures by 0.00 A. Peak 51 from cnoeabs.peaks (8.47, 4.10, 61.82 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 7 + HA VAL 6 OK 100 100 100 100 2.1-3.6 3.6=100 H SER 9 - HA VAL 6 far 0 71 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 52 from cnoeabs.peaks (8.14, 1.99, 32.66 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 6 + HB VAL 6 OK 100 100 100 100 2.6-3.4 6031=100, 6032/2.1=60...(9) H PHE 10 - HB VAL 6 far 0 73 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 53 from cnoeabs.peaks (4.10, 1.99, 32.66 ppm; 3.14 A increased from 2.95 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 6 + HB VAL 6 OK 100 100 100 100 2.3-3.0 3.0=100 HB THR 8 - HB VAL 6 far 0 95 0 - 4.0-6.2 Violated in 0 structures by 0.00 A. Peak 54 from cnoeabs.peaks (1.99, 1.99, 32.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 6 + HB VAL 6 OK 100 100 - 100 Peak 55 from cnoeabs.peaks (0.84, 1.99, 32.66 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 6 + HB VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 6 + HB VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 56 from cnoeabs.peaks (0.84, 1.99, 32.66 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 6 + HB VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 6 + HB VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 57 from cnoeabs.peaks (8.47, 1.99, 32.66 ppm; 5.23 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 7 + HB VAL 6 OK 100 100 100 100 3.9-4.2 4.5=100 H SER 9 - HB VAL 6 far 0 71 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 58 from cnoeabs.peaks (8.14, 0.84, 20.69 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 6 + QG1 VAL 6 OK 100 100 100 100 1.9-3.1 4.0=85, 6031/2.1=78...(12) H VAL 6 + QG2 VAL 6 OK 100 100 100 100 3.7-3.9 4.0=85, 6031/2.1=78...(9) H LEU 109 - QG1 VAL 103 far 0 74 0 - 5.4-13.1 H HIS 111 - QG1 VAL 103 far 0 79 0 - 6.5-16.5 H PHE 10 - QG1 VAL 6 far 0 73 0 - 7.2-10.4 H PHE 10 - QG2 VAL 6 far 0 72 0 - 7.4-8.3 H PHE 10 - QG1 VAL 103 far 0 52 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 59 from cnoeabs.peaks (4.10, 0.84, 20.69 ppm; 2.79 A): 3 out of 7 assignments used, quality = 1.00: * HA VAL 6 + QG1 VAL 6 OK 96 100 100 96 2.4-3.2 3.2=66, 50/2.1=52...(13) HA VAL 6 + QG2 VAL 6 OK 95 100 100 96 2.3-2.5 49=77, ~6031=16...(16) HB THR 8 + QG2 VAL 6 OK 45 94 80 59 2.0-3.7 2.1/8673=42, 8688=14...(5) HB THR 8 - QG1 VAL 6 far 9 95 10 - 3.2-4.8 HA GLU 110 - QG1 VAL 103 far 0 58 0 - 6.2-15.5 HA LYS 58 - QG2 VAL 6 far 0 99 0 - 9.2-12.3 HA LYS 58 - QG1 VAL 6 far 0 99 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 60 from cnoeabs.peaks (1.99, 0.84, 20.69 ppm; 2.52 A): 2 out of 14 assignments used, quality = 1.00: * HB VAL 6 + QG1 VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 6 + QG2 VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 27 - QG2 VAL 6 far 0 92 0 - 6.5-7.5 HB2 LYS 31 - QG2 VAL 6 far 0 96 0 - 6.8-10.8 HB2 GLN 72 - QG1 VAL 103 far 0 80 0 - 7.1-8.9 HB VAL 69 - QG1 VAL 103 far 0 66 0 - 7.3-9.3 HB2 GLN 27 - QG1 VAL 6 far 0 93 0 - 7.3-9.2 HB3 GLN 27 - QG2 VAL 6 far 0 95 0 - 7.8-8.4 HB3 GLN 27 - QG1 VAL 6 far 0 96 0 - 8.7-10.2 HB3 PRO 100 - QG1 VAL 103 far 0 80 0 - 9.0-9.8 HB2 LYS 31 - QG1 VAL 6 far 0 96 0 - 9.3-13.1 HB3 GLN 27 - QG1 VAL 103 far 0 73 0 - 9.3-10.6 HG2 PRO 100 - QG1 VAL 103 far 0 52 0 - 9.6-10.5 HB2 GLN 27 - QG1 VAL 103 far 0 70 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 61 from cnoeabs.peaks (0.84, 0.84, 20.69 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG1 VAL 6 + QG1 VAL 6 OK 100 100 - 100 QG2 VAL 6 + QG2 VAL 6 OK 99 99 - 100 QG1 VAL 103 + QG1 VAL 103 OK 58 58 - 100 Peak 62 from cnoeabs.peaks (0.84, 0.84, 20.69 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QG1 VAL 6 + QG1 VAL 6 OK 100 100 - 100 QG2 VAL 6 + QG2 VAL 6 OK 100 100 - 100 QG1 VAL 103 + QG1 VAL 103 OK 50 50 - 100 Reference assignment not found: QG2 VAL 6 - QG1 VAL 6 Peak 63 from cnoeabs.peaks (8.47, 0.84, 20.69 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: * H HIS 7 + QG1 VAL 6 OK 100 100 100 100 1.9-4.2 4.3=100 H HIS 7 + QG2 VAL 6 OK 100 100 100 100 2.0-3.5 4.3=100 H SER 9 - QG2 VAL 6 poor 14 70 20 - 4.6-5.3 H SER 9 - QG1 VAL 6 far 0 71 0 - 5.5-7.8 H ALA 22 - QG1 VAL 103 far 0 73 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 64 from cnoeabs.peaks (8.14, 0.84, 20.73 ppm; 3.69 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 6 + QG2 VAL 6 OK 100 100 100 100 3.7-3.9 4.0=78, 6031/2.1=75...(9) H VAL 6 + QG1 VAL 6 OK 100 100 100 100 1.9-3.1 6033=80, 6031/2.1=75...(12) H LEU 109 - QG1 VAL 103 far 0 64 0 - 5.4-13.1 H HIS 111 - QG1 VAL 103 far 0 69 0 - 6.5-16.5 H PHE 10 - QG1 VAL 6 far 0 72 0 - 7.2-10.4 H PHE 10 - QG2 VAL 6 far 0 73 0 - 7.4-8.3 H PHE 10 - QG1 VAL 103 far 0 44 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 65 from cnoeabs.peaks (4.10, 0.84, 20.73 ppm; 2.72 A): 3 out of 7 assignments used, quality = 1.00: * HA VAL 6 + QG2 VAL 6 OK 95 100 100 95 2.3-2.5 50=77, 3.0/64=15...(15) HA VAL 6 + QG1 VAL 6 OK 94 100 100 95 2.4-3.2 3.2=62, 50/2.1=50...(12) HB THR 8 + QG2 VAL 6 OK 43 95 80 57 2.0-3.7 2.1/8673=40, 8688=13...(5) HB THR 8 - QG1 VAL 6 far 9 94 10 - 3.2-4.8 HA GLU 110 - QG1 VAL 103 far 0 50 0 - 6.2-15.5 HA LYS 58 - QG2 VAL 6 far 0 99 0 - 9.2-12.3 HA LYS 58 - QG1 VAL 6 far 0 99 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 66 from cnoeabs.peaks (1.99, 0.84, 20.73 ppm; 2.46 A): 2 out of 14 assignments used, quality = 1.00: * HB VAL 6 + QG2 VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 6 + QG1 VAL 6 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 27 - QG2 VAL 6 far 0 93 0 - 6.5-7.5 HB2 LYS 31 - QG2 VAL 6 far 0 96 0 - 6.8-10.8 HB2 GLN 72 - QG1 VAL 103 far 0 70 0 - 7.1-8.9 HB VAL 69 - QG1 VAL 103 far 0 57 0 - 7.3-9.3 HB2 GLN 27 - QG1 VAL 6 far 0 92 0 - 7.3-9.2 HB3 GLN 27 - QG2 VAL 6 far 0 96 0 - 7.8-8.4 HB3 GLN 27 - QG1 VAL 6 far 0 95 0 - 8.7-10.2 HB3 PRO 100 - QG1 VAL 103 far 0 70 0 - 9.0-9.8 HB2 LYS 31 - QG1 VAL 6 far 0 96 0 - 9.3-13.1 HB3 GLN 27 - QG1 VAL 103 far 0 63 0 - 9.3-10.6 HG2 PRO 100 - QG1 VAL 103 far 0 44 0 - 9.6-10.5 HB2 GLN 27 - QG1 VAL 103 far 0 60 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 67 from cnoeabs.peaks (0.84, 0.84, 20.73 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QG2 VAL 6 + QG2 VAL 6 OK 100 100 - 100 QG1 VAL 6 + QG1 VAL 6 OK 100 100 - 100 QG1 VAL 103 + QG1 VAL 103 OK 50 50 - 100 Reference assignment not found: QG1 VAL 6 - QG2 VAL 6 Peak 68 from cnoeabs.peaks (0.84, 0.84, 20.73 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 VAL 6 + QG2 VAL 6 OK 100 100 - 100 QG1 VAL 6 + QG1 VAL 6 OK 99 99 - 100 QG1 VAL 103 + QG1 VAL 103 OK 43 43 - 100 Peak 69 from cnoeabs.peaks (8.47, 0.84, 20.73 ppm; 4.29 A): 2 out of 5 assignments used, quality = 1.00: * H HIS 7 + QG2 VAL 6 OK 99 100 100 99 2.0-3.5 4.3=99 H HIS 7 + QG1 VAL 6 OK 99 100 100 99 1.9-4.2 4.3=99 H SER 9 - QG2 VAL 6 poor 14 71 20 - 4.6-5.3 H SER 9 - QG1 VAL 6 far 0 70 0 - 5.5-7.8 H ALA 22 - QG1 VAL 103 far 0 63 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 71 from cnoeabs.peaks (4.68, 4.68, 56.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 7 + HA HIS 7 OK 100 100 - 100 HA TRP 16 + HA TRP 16 OK 55 55 - 100 Peak 72 from cnoeabs.peaks (3.10, 4.68, 56.25 ppm; 2.99 A increased from 2.82 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 7 + HA HIS 7 OK 100 100 100 100 2.4-3.0 3.0=98, 1.8/73=72...(7) HB2 TRP 16 + HA TRP 16 OK 48 49 100 98 3.0-3.0 3.0=97, 8832/8833=6 Violated in 0 structures by 0.00 A. Peak 73 from cnoeabs.peaks (3.04, 4.68, 56.25 ppm; 2.83 A): 1 out of 2 assignments used, quality = 0.95: * HB3 HIS 7 + HA HIS 7 OK 95 100 100 95 2.4-2.8 3.0=83, 1.8/72=41...(7) HB2 PHE 99 - HA TRP 16 far 0 61 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 77 from cnoeabs.peaks (8.47, 3.10, 30.75 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 7 + HB2 HIS 7 OK 100 100 100 100 2.6-3.9 4.0=100 H SER 9 - HB2 HIS 7 far 4 71 5 - 5.4-6.5 Violated in 0 structures by 0.00 A. Peak 78 from cnoeabs.peaks (4.68, 3.10, 30.75 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 7 + HB2 HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 79 from cnoeabs.peaks (3.10, 3.10, 30.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + HB2 HIS 7 OK 100 100 - 100 Peak 80 from cnoeabs.peaks (3.04, 3.10, 30.75 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 7 + HB2 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 83 from cnoeabs.peaks (8.07, 3.10, 30.75 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H THR 8 + HB2 HIS 7 OK 100 100 100 100 3.7-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 84 from cnoeabs.peaks (8.47, 3.04, 30.75 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.3-3.1 4.0=100 H SER 9 - HB3 HIS 7 far 0 71 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 85 from cnoeabs.peaks (4.68, 3.04, 30.75 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.4-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 86 from cnoeabs.peaks (3.10, 3.04, 30.75 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + HB3 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 87 from cnoeabs.peaks (3.04, 3.04, 30.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 7 + HB3 HIS 7 OK 100 100 - 100 Peak 88 from cnoeabs.peaks (6.96, 3.04, 30.75 ppm; 4.02 A increased from 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 91 from cnoeabs.peaks (8.07, 4.59, 61.25 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H THR 8 + HA THR 8 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 92 from cnoeabs.peaks (4.59, 4.59, 61.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 8 + HA THR 8 OK 100 100 - 100 Peak 93 from cnoeabs.peaks (4.08, 4.59, 61.25 ppm; 3.18 A increased from 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 8 + HA THR 8 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 6 - HA THR 8 far 0 95 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 94 from cnoeabs.peaks (1.08, 4.59, 61.25 ppm; 2.79 A): 1 out of 2 assignments used, quality = 0.96: * QG2 THR 8 + HA THR 8 OK 96 100 100 96 2.3-2.4 102=88, 6062/6060=37...(9) HG12 ILE 11 - HA THR 8 far 0 65 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 95 from cnoeabs.peaks (8.51, 4.59, 61.25 ppm; 2.90 A): 1 out of 3 assignments used, quality = 1.00: * H SER 9 + HA THR 8 OK 100 100 100 100 2.1-2.2 6060=100, 6062/94=40...(7) H HIS 7 - HA THR 8 far 0 73 0 - 4.6-5.3 H ILE 28 - HA THR 8 far 0 98 0 - 5.5-5.6 Violated in 0 structures by 0.00 A. Peak 96 from cnoeabs.peaks (8.07, 4.08, 69.80 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.95: * H THR 8 + HB THR 8 OK 95 100 100 95 2.6-2.9 4.0=83, ~94=37, ~102=37...(6) Violated in 0 structures by 0.00 A. Peak 97 from cnoeabs.peaks (4.59, 4.08, 69.80 ppm; 3.10 A increased from 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 8 + HB THR 8 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 98 from cnoeabs.peaks (4.08, 4.08, 69.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 8 + HB THR 8 OK 100 100 - 100 Peak 99 from cnoeabs.peaks (1.08, 4.08, 69.80 ppm; 2.48 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 8 + HB THR 8 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 11 - HB THR 8 far 0 65 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 100 from cnoeabs.peaks (8.51, 4.08, 69.80 ppm; 4.19 A increased from 3.73 A): 1 out of 3 assignments used, quality = 1.00: * H SER 9 + HB THR 8 OK 100 100 100 100 4.0-4.3 4.2=100 H HIS 7 - HB THR 8 far 0 73 0 - 5.0-5.4 H ILE 28 - HB THR 8 far 0 98 0 - 6.3-6.3 Violated in 3 structures by 0.00 A. Peak 101 from cnoeabs.peaks (8.07, 1.08, 21.11 ppm; 4.06 A increased from 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H THR 8 + QG2 THR 8 OK 100 100 100 100 3.7-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 102 from cnoeabs.peaks (4.59, 1.08, 21.11 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 8 + QG2 THR 8 OK 100 100 100 100 2.3-2.4 94=100, 6060/6062=40...(9) HA ILE 11 - QG2 THR 8 far 0 87 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 103 from cnoeabs.peaks (4.08, 1.08, 21.11 ppm; 2.58 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 8 + QG2 THR 8 OK 100 100 100 100 2.1-2.1 2.1=100 HA VAL 6 - QG2 THR 8 far 0 95 0 - 5.9-6.5 HA LYS 58 - QG2 THR 8 far 0 85 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 104 from cnoeabs.peaks (1.08, 1.08, 21.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 8 + QG2 THR 8 OK 100 100 - 100 Peak 105 from cnoeabs.peaks (8.51, 1.08, 21.11 ppm; 3.31 A): 2 out of 3 assignments used, quality = 1.00: * H SER 9 + QG2 THR 8 OK 99 100 100 99 2.5-2.8 6062=93, 6060/94=63...(7) H ILE 28 + QG2 THR 8 OK 93 98 100 95 3.6-3.8 6359/8691=38...(11) H HIS 7 - QG2 THR 8 far 0 73 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 106 from cnoeabs.peaks (8.51, 4.47, 57.99 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 100 100 2.9-2.9 2.9=100 H ILE 28 - HA SER 9 far 0 98 0 - 4.5-4.6 H HIS 7 - HA SER 9 far 0 73 0 - 6.9-7.9 H HIS 7 - HA SER 4 far 0 60 0 - 7.9-9.4 H VAL 14 - HA VAL 21 far 0 36 0 - 8.9-9.2 H ILE 67 - HA SER 9 far 0 71 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 107 from cnoeabs.peaks (4.47, 4.47, 57.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 95 95 - 100 HA SER 4 + HA SER 4 OK 75 75 - 100 HA VAL 21 + HA VAL 21 OK 54 54 - 100 Peak 108 from cnoeabs.peaks (3.65, 4.47, 57.99 ppm; 2.74 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 96 100 100 96 2.9-3.0 3.0=74, 1.8/117=32...(17) HB3 SER 9 + HA SER 9 OK 95 100 100 95 2.2-2.7 3.0=74, 1.8/117=33...(14) HB3 SER 34 - HA SER 9 far 0 100 0 - 9.0-9.8 HB3 PHE 79 - HA VAL 21 far 0 57 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 109 from cnoeabs.peaks (3.65, 4.47, 57.99 ppm; 2.74 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 9 + HA SER 9 OK 96 100 100 96 2.9-3.0 3.0=74, 1.8/117=32...(17) * HB3 SER 9 + HA SER 9 OK 95 100 100 95 2.2-2.7 3.0=74, 1.8/117=33...(14) HB3 SER 34 - HA SER 9 far 0 100 0 - 9.0-9.8 HB3 PHE 79 - HA VAL 21 far 0 59 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 110 from cnoeabs.peaks (8.17, 4.47, 57.99 ppm; 2.96 A): 1 out of 8 assignments used, quality = 1.00: * H PHE 10 + HA SER 9 OK 100 100 100 100 2.7-2.7 6069=100, 6075/8697=29...(11) H VAL 6 - HA SER 4 far 0 60 0 - 5.9-6.9 H HIS 111 - HA SER 107 far 0 55 0 - 6.4-13.5 H VAL 29 - HA SER 9 far 0 91 0 - 7.2-7.2 H VAL 6 - HA SER 9 far 0 73 0 - 8.1-9.5 HE3 TRP 42 - HA VAL 21 far 0 65 0 - 9.4-9.8 H HIS 111 - HA VAL 21 far 0 33 0 - 9.9-20.1 H PHE 79 - HA VAL 21 far 0 63 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 111 from cnoeabs.peaks (8.51, 3.65, 64.29 ppm; 3.33 A): 3 out of 6 assignments used, quality = 1.00: * H SER 9 + HB2 SER 9 OK 96 100 100 96 2.2-3.3 4.0=58, 6065/1.8=34...(13) H SER 9 + HB3 SER 9 OK 95 100 100 95 3.3-3.6 4.0=58, 6064/1.8=35...(12) H ILE 28 + HB2 SER 9 OK 86 98 90 97 3.5-4.2 9049=61, 6363/8040=34...(12) H ILE 28 - HB3 SER 9 far 5 98 5 - 3.8-5.2 H HIS 7 - HB3 SER 9 far 0 73 0 - 7.8-9.7 H HIS 7 - HB2 SER 9 far 0 73 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 112 from cnoeabs.peaks (4.47, 3.65, 64.29 ppm; 2.75 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 97 100 100 97 2.9-3.0 3.0=75, 109/1.8=32...(17) HA SER 9 + HB3 SER 9 OK 95 100 100 95 2.2-2.7 3.0=75, 108/1.8=33...(14) HA2 GLY 32 - HB2 SER 9 far 0 94 0 - 8.6-9.7 HA2 GLY 32 - HB3 SER 9 far 0 94 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 113 from cnoeabs.peaks (3.65, 3.65, 64.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 Peak 114 from cnoeabs.peaks (3.65, 3.65, 64.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 Reference assignment not found: HB3 SER 9 - HB2 SER 9 Peak 115 from cnoeabs.peaks (8.17, 3.65, 64.29 ppm; 3.22 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 10 + HB2 SER 9 OK 98 100 100 98 2.1-3.5 6069/3.0=57, 6070=51...(14) H PHE 10 + HB3 SER 9 OK 97 100 100 97 1.9-3.1 6069/3.0=57, 6070=49...(13) H VAL 29 - HB2 SER 9 far 0 91 0 - 5.1-5.8 H VAL 29 - HB3 SER 9 far 0 91 0 - 6.2-7.1 H VAL 6 - HB3 SER 9 far 0 73 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 116 from cnoeabs.peaks (8.51, 3.65, 64.29 ppm; 3.26 A): 3 out of 6 assignments used, quality = 1.00: H SER 9 + HB2 SER 9 OK 95 100 100 95 2.2-3.3 4.0=55, 6065/1.8=33...(13) * H SER 9 + HB3 SER 9 OK 94 100 100 94 3.3-3.6 4.0=55, 6064/1.8=33...(12) H ILE 28 + HB2 SER 9 OK 85 98 90 97 3.5-4.2 9049=57, 6363/8040=32...(12) H ILE 28 - HB3 SER 9 far 5 98 5 - 3.8-5.2 H HIS 7 - HB3 SER 9 far 0 73 0 - 7.8-9.7 H HIS 7 - HB2 SER 9 far 0 73 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 117 from cnoeabs.peaks (4.47, 3.65, 64.29 ppm; 2.74 A): 2 out of 4 assignments used, quality = 1.00: HA SER 9 + HB2 SER 9 OK 96 100 100 96 2.9-3.0 3.0=74, 109/1.8=32...(17) * HA SER 9 + HB3 SER 9 OK 95 100 100 95 2.2-2.7 3.0=74, 108/1.8=32...(14) HA2 GLY 32 - HB2 SER 9 far 0 94 0 - 8.6-9.7 HA2 GLY 32 - HB3 SER 9 far 0 94 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 118 from cnoeabs.peaks (3.65, 3.65, 64.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 Reference assignment not found: HB2 SER 9 - HB3 SER 9 Peak 119 from cnoeabs.peaks (3.65, 3.65, 64.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 Peak 120 from cnoeabs.peaks (8.17, 3.65, 64.29 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: H PHE 10 + HB2 SER 9 OK 98 100 100 98 2.1-3.5 6069/3.0=57, 6071=51...(14) * H PHE 10 + HB3 SER 9 OK 97 100 100 97 1.9-3.1 6069/3.0=57, 6071=49...(13) H VAL 29 - HB2 SER 9 far 0 91 0 - 5.1-5.8 H VAL 29 - HB3 SER 9 far 0 91 0 - 6.2-7.1 H VAL 6 - HB3 SER 9 far 0 73 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 121 from cnoeabs.peaks (8.17, 5.32, 56.62 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 10 + HA PHE 10 OK 100 100 100 100 2.9-2.9 3.0=100 H VAL 29 - HA PHE 10 far 0 91 0 - 6.4-6.5 H LEU 70 - HA PHE 10 far 0 100 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 122 from cnoeabs.peaks (5.32, 5.32, 56.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 10 + HA PHE 10 OK 100 100 - 100 Peak 123 from cnoeabs.peaks (2.82, 5.32, 56.62 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 10 + HA PHE 10 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 ARG 66 - HA PHE 10 far 0 84 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 124 from cnoeabs.peaks (2.66, 5.32, 56.62 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 10 + HA PHE 10 OK 100 100 100 100 2.4-2.4 3.0=100 HB3 ASP 65 - HA PHE 10 far 0 100 0 - 7.0-7.2 HG3 GLN 72 - HA PHE 10 far 0 84 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 125 from cnoeabs.peaks (7.04, 5.32, 56.62 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 10 + HA PHE 10 OK 100 100 100 100 3.2-3.2 3.7=100 HD21 ASN 68 - HA PHE 10 far 0 99 0 - 6.1-6.5 HE22 GLN 72 - HA PHE 10 far 0 96 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 128 from cnoeabs.peaks (8.97, 5.32, 56.62 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 11 + HA PHE 10 OK 100 100 100 100 2.4-2.5 6081=100, 6082/3.0=39...(18) H ASP 26 - HA PHE 10 far 0 73 0 - 5.1-5.2 H GLY 30 - HA PHE 10 far 0 75 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 129 from cnoeabs.peaks (8.17, 2.82, 41.66 ppm; 4.37 A): 1 out of 5 assignments used, quality = 1.00: * H PHE 10 + HB2 PHE 10 OK 100 100 100 100 2.9-2.9 4.0=100 H LEU 70 - HE3 LYS 52 far 0 91 0 - 6.5-9.8 H LEU 70 - HB2 PHE 10 far 0 100 0 - 6.9-7.1 H VAL 29 - HB2 PHE 10 far 0 91 0 - 9.1-9.3 H PHE 79 - HE3 LYS 84 far 0 72 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 130 from cnoeabs.peaks (5.32, 2.82, 41.66 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 10 + HB2 PHE 10 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASP 26 - HB2 PHE 10 far 0 100 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 131 from cnoeabs.peaks (2.82, 2.82, 41.66 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 PHE 10 + HB2 PHE 10 OK 100 100 - 100 HE3 LYS 52 + HE3 LYS 52 OK 83 83 - 100 HE3 LYS 84 + HE3 LYS 84 OK 63 63 - 100 Peak 132 from cnoeabs.peaks (2.66, 2.82, 41.66 ppm; 2.70 A): 2 out of 8 assignments used, quality = 1.00: * HB3 PHE 10 + HB2 PHE 10 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 84 + HE3 LYS 84 OK 44 44 100 100 1.8-1.8 1.8=100 HB3 ASP 65 - HB2 PHE 10 far 0 100 0 - 4.7-4.9 HB3 GLN 81 - HE3 LYS 84 far 0 53 0 - 6.1-8.6 HG3 GLN 72 - HB2 PHE 10 far 0 84 0 - 8.0-8.3 HB2 ASP 82 - HE3 LYS 84 far 0 67 0 - 8.1-10.5 HB2 ASN 87 - HE3 LYS 84 far 0 50 0 - 8.8-11.0 HG3 GLN 72 - HE3 LYS 52 far 0 71 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 133 from cnoeabs.peaks (7.04, 2.82, 41.66 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * QD PHE 10 + HB2 PHE 10 OK 100 100 100 100 2.6-2.6 2.5=100 HH2 TRP 48 + HE3 LYS 52 OK 38 63 60 99 2.7-5.2 2.4/9444=43, 9439/1.8=40...(22) HE21 GLN 81 - HE3 LYS 84 poor 20 66 30 - 3.6-7.2 HD21 ASN 68 - HB2 PHE 10 far 10 99 10 - 4.2-4.6 HE22 GLN 72 - HB2 PHE 10 far 0 96 0 - 8.1-8.4 QE PHE 40 - HE3 LYS 52 far 0 80 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 136 from cnoeabs.peaks (8.97, 2.82, 41.66 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 11 + HB2 PHE 10 OK 100 100 100 100 3.3-3.6 6082=100, 6083/1.8=88...(10) H ASP 26 - HB2 PHE 10 far 0 73 0 - 6.1-6.4 H ASN 71 - HE3 LYS 52 far 0 68 0 - 7.1-10.8 H ASN 71 - HB2 PHE 10 far 0 81 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 137 from cnoeabs.peaks (8.17, 2.66, 41.66 ppm; 3.98 A): 1 out of 7 assignments used, quality = 1.00: * H PHE 10 + HB3 PHE 10 OK 100 100 100 100 3.9-3.9 6074=100, 6073/1.8=88...(6) H PHE 10 - HB3 ASP 65 far 0 73 0 - 6.0-6.5 H LEU 70 - HB3 PHE 10 far 0 100 0 - 7.2-7.5 H LEU 70 - HB3 ASP 65 far 0 73 0 - 7.7-8.2 H VAL 29 - HB3 PHE 10 far 0 91 0 - 8.7-8.9 H VAL 6 - HB3 ASP 65 far 0 46 0 - 9.3-12.2 H PHE 79 - HE2 LYS 84 far 0 51 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 138 from cnoeabs.peaks (5.32, 2.66, 41.66 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 10 + HB3 PHE 10 OK 100 100 100 100 2.4-2.4 3.0=100 HA ASP 26 - HB3 PHE 10 far 0 100 0 - 5.5-5.8 HA PHE 10 - HB3 ASP 65 far 0 73 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 139 from cnoeabs.peaks (2.82, 2.66, 41.66 ppm; 2.83 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PHE 10 + HB3 PHE 10 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 84 + HE2 LYS 84 OK 44 44 100 100 1.8-1.8 1.8=100 HD2 ARG 66 - HB3 ASP 65 far 0 54 0 - 4.3-7.4 HB2 PHE 10 - HB3 ASP 65 far 0 73 0 - 4.7-4.9 HD2 ARG 66 - HB3 PHE 10 far 0 84 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 140 from cnoeabs.peaks (2.66, 2.66, 41.66 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PHE 10 + HB3 PHE 10 OK 100 100 - 100 HB3 ASP 65 + HB3 ASP 65 OK 71 71 - 100 HE2 LYS 84 + HE2 LYS 84 OK 30 30 - 100 Peak 141 from cnoeabs.peaks (7.04, 2.66, 41.66 ppm; 3.68 A): 2 out of 8 assignments used, quality = 1.00: * QD PHE 10 + HB3 PHE 10 OK 100 100 100 100 2.3-2.3 2.5=100 QD PHE 10 + HB3 ASP 65 OK 59 72 100 81 3.9-4.1 ~8424=33, 5510=30...(6) HE21 GLN 81 - HE2 LYS 84 far 7 47 15 - 2.9-7.1 HD21 ASN 68 - HB3 PHE 10 far 0 99 0 - 5.2-5.6 HD21 ASN 68 - HB3 ASP 65 far 0 70 0 - 7.4-7.6 HE22 GLN 72 - HB3 PHE 10 far 0 96 0 - 8.8-9.1 QE PHE 40 - HB3 PHE 10 far 0 92 0 - 9.1-10.1 H LYS 58 - HB3 ASP 65 far 0 42 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 144 from cnoeabs.peaks (8.97, 2.66, 41.66 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 11 + HB3 PHE 10 OK 100 100 100 100 2.3-2.5 6083=100, 6082/1.8=87...(10) H ASP 26 - HB3 PHE 10 far 0 73 0 - 4.8-5.0 H ILE 11 - HB3 ASP 65 far 0 73 0 - 8.0-8.2 H ASN 71 - HB3 PHE 10 far 0 81 0 - 9.3-9.6 H ASN 71 - HB3 ASP 65 far 0 51 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 145 from cnoeabs.peaks (8.97, 4.57, 58.90 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 11 + HA ILE 11 OK 100 100 100 100 2.9-2.9 3.0=100 H ASP 26 - HA ILE 11 far 0 73 0 - 4.4-4.5 H ASN 71 - HA ILE 11 far 0 81 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 146 from cnoeabs.peaks (4.57, 4.57, 58.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 11 + HA ILE 11 OK 100 100 - 100 Peak 147 from cnoeabs.peaks (1.63, 4.57, 58.90 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 11 + HA ILE 11 OK 100 100 100 100 2.9-2.9 3.0=100 HB ILE 28 - HA ILE 11 far 0 99 0 - 6.6-6.7 HB3 LYS 13 - HA ILE 11 far 0 75 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 148 from cnoeabs.peaks (0.85, 4.57, 58.90 ppm; 3.12 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 11 + HA ILE 11 OK 100 100 100 100 2.1-2.1 162=100, 6098/6096=56...(26) QG2 VAL 25 - HA ILE 11 far 0 100 0 - 4.5-4.6 QG1 VAL 103 - HA ILE 11 far 0 92 0 - 5.5-7.3 QD1 LEU 12 - HA ILE 11 far 0 100 0 - 5.8-5.9 QG2 VAL 102 - HA ILE 11 far 0 98 0 - 6.6-6.9 QD1 LEU 51 - HA ILE 11 far 0 100 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 149 from cnoeabs.peaks (1.05, 4.57, 58.90 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 11 + HA ILE 11 OK 100 100 100 100 2.9-3.2 3.8=100 QG2 THR 33 - HA ILE 11 far 0 75 0 - 5.6-5.9 QG2 THR 8 - HA ILE 11 far 0 65 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 150 from cnoeabs.peaks (1.42, 4.57, 58.90 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 11 + HA ILE 11 OK 100 100 100 100 3.3-3.8 3.8=100 HB2 LEU 36 - HA ILE 11 far 0 65 0 - 8.1-8.3 HG LEU 70 - HA ILE 11 far 0 100 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 151 from cnoeabs.peaks (0.77, 4.57, 58.90 ppm; 4.11 A increased from 3.65 A): 1 out of 8 assignments used, quality = 1.00: * QD1 ILE 11 + HA ILE 11 OK 100 100 100 100 3.6-4.1 4.2=96, 167/162=85...(20) QG2 VAL 69 - HA ILE 11 far 0 98 0 - 5.3-5.5 QD2 LEU 36 - HA ILE 11 far 0 87 0 - 6.7-6.8 QG2 ILE 28 - HA ILE 11 far 0 96 0 - 6.7-6.8 QD2 LEU 109 - HA ILE 11 far 0 98 0 - 8.7-20.3 QD1 ILE 23 - HA ILE 11 far 0 98 0 - 9.3-9.6 QG2 ILE 23 - HA ILE 11 far 0 63 0 - 9.8-10.1 HB3 LEU 55 - HA ILE 11 far 0 100 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 152 from cnoeabs.peaks (9.16, 4.57, 58.90 ppm; 2.84 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 12 + HA ILE 11 OK 100 100 100 100 2.6-2.6 6096=100, 6098/162=42...(10) H GLN 27 - HA ILE 11 far 0 95 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 153 from cnoeabs.peaks (8.97, 1.63, 42.55 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 11 + HB ILE 11 OK 99 100 100 99 3.3-3.4 6088=85, 6090/2.9=45...(13) H ASP 26 + HB ILE 11 OK 62 73 100 85 2.8-3.2 8984=29, 10322/187=27...(13) Violated in 0 structures by 0.00 A. Peak 154 from cnoeabs.peaks (4.57, 1.63, 42.55 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 11 + HB ILE 11 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 65 - HB ILE 11 far 0 88 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 155 from cnoeabs.peaks (1.63, 1.63, 42.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 11 + HB ILE 11 OK 100 100 - 100 Peak 156 from cnoeabs.peaks (0.85, 1.63, 42.55 ppm; 2.68 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 11 + HB ILE 11 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 103 - HB ILE 11 far 0 92 0 - 3.6-5.3 QG2 VAL 25 - HB ILE 11 far 0 100 0 - 4.9-5.2 QD1 LEU 12 - HB ILE 11 far 0 100 0 - 6.1-6.2 QG2 VAL 102 - HB ILE 11 far 0 98 0 - 7.1-7.4 QD1 LEU 51 - HB ILE 11 far 0 100 0 - 7.4-7.7 QD1 LEU 109 - HB ILE 11 far 0 99 0 - 8.6-19.1 Violated in 0 structures by 0.00 A. Peak 157 from cnoeabs.peaks (1.05, 1.63, 42.55 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 11 + HB ILE 11 OK 100 100 100 100 2.7-3.0 2.9=100 QG2 THR 33 - HB ILE 11 far 0 75 0 - 4.2-4.5 QG2 THR 8 - HB ILE 11 far 0 65 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 158 from cnoeabs.peaks (1.42, 1.63, 42.55 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 11 + HB ILE 11 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LEU 36 - HB ILE 11 far 0 65 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 159 from cnoeabs.peaks (0.77, 1.63, 42.55 ppm; 3.06 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 11 + HB ILE 11 OK 100 100 100 100 2.0-2.4 187=100, 167/2.1=72...(24) QD2 LEU 109 - HB ILE 11 far 0 98 0 - 6.5-18.4 QG2 ILE 28 - HB ILE 11 far 0 96 0 - 6.6-6.7 QG2 VAL 69 - HB ILE 11 far 0 98 0 - 6.9-7.0 QD2 LEU 36 - HB ILE 11 far 0 87 0 - 6.9-7.1 QD1 ILE 23 - HB ILE 11 far 0 98 0 - 9.5-9.8 QG2 ILE 23 - HB ILE 11 far 0 63 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 160 from cnoeabs.peaks (9.16, 1.63, 42.55 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 12 + HB ILE 11 OK 100 100 100 100 2.4-2.6 6097=85, 6098/2.1=75...(9) H GLN 27 - HB ILE 11 far 0 95 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 161 from cnoeabs.peaks (8.97, 0.85, 17.61 ppm; 4.19 A increased from 3.35 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 11 + QG2 ILE 11 OK 100 100 100 100 4.0-4.0 4.0=100 H ASP 26 + QG2 ILE 11 OK 70 73 100 96 4.3-4.6 8984/2.1=50...(9) H ASN 71 - QG2 ILE 11 far 0 81 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 162 from cnoeabs.peaks (4.57, 0.85, 17.61 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 11 + QG2 ILE 11 OK 100 100 100 100 2.1-2.1 148=89, 6096/6098=52...(24) HA ASP 65 - QG2 ILE 11 far 0 88 0 - 7.5-7.8 HA THR 8 - QG2 ILE 11 far 0 87 0 - 9.5-9.6 Violated in 0 structures by 0.00 A. Peak 163 from cnoeabs.peaks (1.63, 0.85, 17.61 ppm; 2.67 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 11 + QG2 ILE 11 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 28 - QG2 ILE 11 far 0 99 0 - 5.8-5.9 HB3 LYS 13 - QG2 ILE 11 far 0 75 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 164 from cnoeabs.peaks (0.85, 0.85, 17.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 11 + QG2 ILE 11 OK 100 100 - 100 Peak 165 from cnoeabs.peaks (1.05, 0.85, 17.61 ppm; 3.23 A increased from 2.72 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 11 + QG2 ILE 11 OK 100 100 100 100 2.3-3.1 3.2=100 QG2 THR 33 - QG2 ILE 11 far 0 75 0 - 3.9-4.1 QG2 THR 8 - QG2 ILE 11 far 0 65 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 166 from cnoeabs.peaks (1.42, 0.85, 17.61 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 11 + QG2 ILE 11 OK 100 100 100 100 2.0-3.2 3.2=93, 2.1/167=74...(22) HB2 LEU 36 - QG2 ILE 11 far 0 65 0 - 8.0-8.1 HG LEU 70 - QG2 ILE 11 far 0 100 0 - 9.3-9.6 Violated in 4 structures by 0.02 A. Peak 167 from cnoeabs.peaks (0.77, 0.85, 17.61 ppm; 2.65 A increased from 2.50 A): 1 out of 8 assignments used, quality = 1.00: * QD1 ILE 11 + QG2 ILE 11 OK 100 100 100 100 2.0-3.2 2.9=74, 187/2.1=52...(23) QG2 ILE 28 - QG2 ILE 11 far 0 96 0 - 5.2-5.3 QD2 LEU 109 - QG2 ILE 11 far 0 98 0 - 5.5-16.3 QG2 VAL 69 - QG2 ILE 11 far 0 98 0 - 6.1-6.3 QD2 LEU 36 - QG2 ILE 11 far 0 87 0 - 7.0-7.1 QG2 ILE 23 - QG2 ILE 11 far 0 63 0 - 8.5-8.8 QD1 ILE 23 - QG2 ILE 11 far 0 98 0 - 8.6-8.9 QG1 VAL 29 - QG2 ILE 11 far 0 97 0 - 9.4-9.5 Violated in 2 structures by 0.03 A. Peak 168 from cnoeabs.peaks (9.16, 0.85, 17.61 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 12 + QG2 ILE 11 OK 100 100 100 100 1.8-1.9 6098=100, 160/2.1=60...(10) H GLN 27 - QG2 ILE 11 far 0 95 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 169 from cnoeabs.peaks (8.97, 1.05, 27.04 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 11 + HG12 ILE 11 OK 100 100 100 100 2.3-3.4 6090=100, 177/1.8=68...(19) H ASP 26 + HG12 ILE 11 OK 50 73 75 90 4.0-5.1 10322/2.1=42...(11) Violated in 0 structures by 0.00 A. Peak 170 from cnoeabs.peaks (4.57, 1.05, 27.04 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 11 + HG12 ILE 11 OK 100 100 100 100 2.9-3.2 3.8=97, 178/1.8=76...(22) HA ASP 65 - HG12 ILE 11 far 0 88 0 - 7.6-8.1 HA THR 8 - HG12 ILE 11 far 0 87 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 171 from cnoeabs.peaks (1.63, 1.05, 27.04 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 11 + HG12 ILE 11 OK 100 100 100 100 2.7-3.0 2.9=100 HB ILE 28 - HG12 ILE 11 far 0 99 0 - 4.2-4.5 HB3 LYS 13 - HG12 ILE 11 far 0 75 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 172 from cnoeabs.peaks (0.85, 1.05, 27.04 ppm; 3.09 A increased from 2.91 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 11 + HG12 ILE 11 OK 100 100 100 100 2.3-3.1 3.2=92, 167/2.1=73...(24) QG2 VAL 25 - HG12 ILE 11 far 0 100 0 - 5.7-6.5 QG1 VAL 103 - HG12 ILE 11 far 0 92 0 - 5.8-7.5 QD1 LEU 12 - HG12 ILE 11 far 0 100 0 - 7.6-8.1 QD1 LEU 51 - HG12 ILE 11 far 0 100 0 - 7.8-8.9 QG2 VAL 102 - HG12 ILE 11 far 0 98 0 - 8.6-9.1 QG2 VAL 6 - HG12 ILE 11 far 0 98 0 - 9.7-10.4 Violated in 1 structures by 0.00 A. Peak 173 from cnoeabs.peaks (1.05, 1.05, 27.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 11 + HG12 ILE 11 OK 100 100 - 100 Peak 174 from cnoeabs.peaks (1.42, 1.05, 27.04 ppm; 2.45 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 11 + HG12 ILE 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 36 - HG12 ILE 11 far 0 65 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 175 from cnoeabs.peaks (0.77, 1.05, 27.04 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 11 + HG12 ILE 11 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 28 - HG12 ILE 11 far 0 96 0 - 4.4-4.9 QD2 LEU 36 - HG12 ILE 11 far 0 87 0 - 5.8-6.9 QG2 VAL 69 - HG12 ILE 11 far 0 98 0 - 6.8-7.4 QD2 LEU 109 - HG12 ILE 11 far 0 98 0 - 7.7-20.2 QG1 VAL 29 - HG12 ILE 11 far 0 97 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 176 from cnoeabs.peaks (9.16, 1.05, 27.04 ppm; 4.67 A increased from 4.16 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 12 + HG12 ILE 11 OK 100 100 100 100 4.6-4.7 6099=97, 6098/172=90...(8) H GLN 27 + HG12 ILE 11 OK 69 95 75 97 4.8-6.1 4.5/8741=49, 192/2.1=38...(10) Violated in 0 structures by 0.00 A. Peak 177 from cnoeabs.peaks (8.97, 1.42, 27.04 ppm; 3.86 A increased from 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 11 + HG13 ILE 11 OK 100 100 100 100 2.5-4.1 6091=87, 6090/1.8=81...(16) H ASP 26 - HG13 ILE 11 poor 15 73 20 - 3.5-5.3 Violated in 1 structures by 0.01 A. Peak 178 from cnoeabs.peaks (4.57, 1.42, 27.04 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 11 + HG13 ILE 11 OK 100 100 100 100 3.3-3.8 3.8=92, 170/1.8=72...(18) HA ASP 18 - HG LEU 17 far 0 43 0 - 6.6-6.7 HA ASP 65 - HG13 ILE 11 far 0 88 0 - 8.4-9.3 HA THR 8 - HG13 ILE 11 far 0 87 0 - 8.8-9.3 Violated in 1 structures by 0.01 A. Peak 179 from cnoeabs.peaks (1.63, 1.42, 27.04 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 11 + HG13 ILE 11 OK 100 100 100 100 2.5-3.0 2.9=100 HB ILE 28 - HG13 ILE 11 far 0 99 0 - 4.5-5.1 HB3 LYS 13 - HG13 ILE 11 far 0 75 0 - 8.1-9.3 HB2 ARG 44 - HG LEU 17 far 0 47 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 180 from cnoeabs.peaks (0.85, 1.42, 27.04 ppm; 2.88 A): 3 out of 12 assignments used, quality = 1.00: * QG2 ILE 11 + HG13 ILE 11 OK 100 100 100 100 2.0-3.2 166=80, 167/2.1=66...(20) QD2 LEU 17 + HG LEU 17 OK 47 47 100 100 2.1-2.1 2.1=100 QD1 LEU 17 + HG LEU 17 OK 44 44 100 100 2.1-2.1 2.1=100 HG LEU 15 - HG LEU 17 far 0 47 0 - 4.5-5.2 QD1 LEU 109 - HG LEU 17 far 0 47 0 - 4.6-17.5 QG1 VAL 103 - HG13 ILE 11 far 0 92 0 - 5.6-7.3 QG2 VAL 25 - HG13 ILE 11 far 0 100 0 - 5.7-7.1 QD1 LEU 12 - HG13 ILE 11 far 0 100 0 - 7.6-8.3 QD1 LEU 51 - HG13 ILE 11 far 0 100 0 - 7.9-9.4 QG2 VAL 102 - HG13 ILE 11 far 0 98 0 - 8.6-9.2 QD1 LEU 109 - HG13 ILE 11 far 0 99 0 - 9.5-21.4 QG1 VAL 103 - HG LEU 17 far 0 40 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 181 from cnoeabs.peaks (1.05, 1.42, 27.04 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 11 + HG13 ILE 11 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 33 - HG13 ILE 11 far 4 75 5 - 2.5-3.3 QG2 THR 8 - HG13 ILE 11 far 0 65 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 182 from cnoeabs.peaks (1.42, 1.42, 27.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 11 + HG13 ILE 11 OK 100 100 - 100 HG LEU 17 + HG LEU 17 OK 23 23 - 100 Peak 183 from cnoeabs.peaks (0.77, 1.42, 27.04 ppm; 2.74 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 11 + HG13 ILE 11 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 109 - HG LEU 17 far 0 46 0 - 3.5-18.6 QG2 ILE 28 - HG13 ILE 11 far 0 96 0 - 4.4-5.0 QD2 LEU 36 - HG13 ILE 11 far 0 87 0 - 5.8-7.6 QG2 VAL 69 - HG13 ILE 11 far 0 98 0 - 7.1-8.2 QD2 LEU 109 - HG13 ILE 11 far 0 98 0 - 7.1-20.6 QG2 ILE 23 - HG LEU 17 far 0 25 0 - 7.6-7.9 QG1 VAL 29 - HG13 ILE 11 far 0 97 0 - 8.8-9.2 QD1 ILE 23 - HG LEU 17 far 0 46 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 184 from cnoeabs.peaks (9.16, 1.42, 27.04 ppm; 4.74 A increased from 3.99 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 12 + HG13 ILE 11 OK 100 100 100 100 4.6-4.7 6098/166=91, 6100=91...(8) H GLN 27 - HG13 ILE 11 poor 19 95 20 - 4.4-6.5 H TRP 16 - HG LEU 17 far 2 45 5 - 4.8-5.7 Violated in 0 structures by 0.00 A. Peak 185 from cnoeabs.peaks (8.97, 0.77, 13.56 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 11 + QD1 ILE 11 OK 100 100 100 100 2.2-4.1 6092=100, 6090/2.1=74...(20) H ASP 26 + QD1 ILE 11 OK 71 73 100 97 2.8-4.3 10322=58, 8984/187=36...(16) H ASN 71 - QD1 ILE 23 far 0 73 0 - 7.4-7.6 H ASP 26 - QD1 ILE 23 far 0 66 0 - 7.7-8.4 H GLY 30 - QD1 ILE 11 far 0 75 0 - 8.3-8.7 H ILE 11 - QD1 ILE 23 far 0 95 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 186 from cnoeabs.peaks (4.57, 0.77, 13.56 ppm; 4.30 A increased from 3.62 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 11 + QD1 ILE 11 OK 100 100 100 100 3.6-4.1 4.2=100 HB THR 37 - QD1 ILE 23 far 0 82 0 - 6.9-7.5 HA THR 8 - QD1 ILE 11 far 0 87 0 - 7.1-8.0 HA ASP 65 - QD1 ILE 11 far 0 88 0 - 7.5-8.7 HA ASN 71 - QD1 ILE 23 far 0 77 0 - 7.7-7.9 HB THR 37 - QD1 ILE 11 far 0 90 0 - 9.1-10.8 HA ILE 11 - QD1 ILE 23 far 0 95 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 187 from cnoeabs.peaks (1.63, 0.77, 13.56 ppm; 2.84 A): 1 out of 12 assignments used, quality = 1.00: * HB ILE 11 + QD1 ILE 11 OK 100 100 100 100 2.0-2.4 159=80, 2.1/167=64...(24) HB ILE 28 - QD1 ILE 11 far 0 99 0 - 3.8-4.6 HB2 GLN 50 - QD1 ILE 23 far 0 95 0 - 5.7-6.0 HB2 LEU 70 - QD1 ILE 23 far 0 77 0 - 6.0-6.1 HB3 LYS 13 - QD1 ILE 11 far 0 75 0 - 6.0-6.7 HB3 LYS 13 - QD1 ILE 23 far 0 68 0 - 7.2-8.7 HB3 PRO 43 - QD1 ILE 23 far 0 93 0 - 8.5-8.9 HB2 LEU 55 - QD1 ILE 23 far 0 74 0 - 8.7-9.1 HB2 ARG 44 - QD1 ILE 23 far 0 93 0 - 8.8-9.2 HD2 LYS 58 - QD1 ILE 11 far 0 99 0 - 9.1-11.0 HB ILE 11 - QD1 ILE 23 far 0 95 0 - 9.5-9.8 HB2 LEU 55 - QD1 ILE 11 far 0 82 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 188 from cnoeabs.peaks (0.85, 0.77, 13.56 ppm; 2.70 A increased from 2.40 A): 2 out of 18 assignments used, quality = 1.00: * QG2 ILE 11 + QD1 ILE 11 OK 100 100 100 100 2.0-3.2 167=100, 2.1/187=54...(23) QD1 LEU 12 + QD1 ILE 23 OK 83 95 100 87 2.8-3.0 9402=28, 10845/6297=20...(17) QG1 VAL 103 - QD1 ILE 11 far 0 92 0 - 3.7-5.2 QD1 LEU 51 - QD1 ILE 23 far 0 95 0 - 3.8-4.3 QG2 VAL 25 - QD1 ILE 23 far 0 95 0 - 4.0-4.6 QG2 VAL 25 - QD1 ILE 11 far 0 100 0 - 5.1-6.2 QG2 VAL 102 - QD1 ILE 23 far 0 92 0 - 6.3-6.6 QD1 LEU 12 - QD1 ILE 11 far 0 100 0 - 6.5-7.2 QD1 LEU 51 - QD1 ILE 11 far 0 100 0 - 6.7-8.2 QD1 LEU 109 - QD1 ILE 11 far 0 99 0 - 6.9-16.6 QG2 VAL 102 - QD1 ILE 11 far 0 98 0 - 7.5-8.0 QG1 VAL 103 - QD1 ILE 23 far 0 84 0 - 7.8-9.3 QD1 LEU 17 - QD1 ILE 23 far 0 89 0 - 8.1-8.5 QG2 VAL 6 - QD1 ILE 11 far 0 98 0 - 8.4-9.5 QG2 ILE 11 - QD1 ILE 23 far 0 95 0 - 8.6-8.9 QG1 VAL 6 - QD1 ILE 11 far 0 99 0 - 9.7-11.6 HG LEU 15 - QD1 ILE 23 far 0 93 0 - 9.8-10.3 QD2 LEU 17 - QD1 ILE 23 far 0 94 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 189 from cnoeabs.peaks (1.05, 0.77, 13.56 ppm; 2.58 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 11 + QD1 ILE 11 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 33 + QD1 ILE 11 OK 65 75 100 86 1.7-1.8 8214=34, 2.1/8213=27...(15) HB3 GLN 50 - QD1 ILE 23 far 0 87 0 - 4.5-4.9 QG2 THR 8 - QD1 ILE 11 far 0 65 0 - 5.2-6.4 Violated in 0 structures by 0.00 A. Peak 190 from cnoeabs.peaks (1.42, 0.77, 13.56 ppm; 2.51 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 11 + QD1 ILE 11 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 47 + QD1 ILE 23 OK 88 95 100 93 1.9-2.0 8303=45, 8305/2.1=34...(15) HB ILE 77 - QD1 ILE 23 far 0 53 0 - 4.7-4.9 HB2 LEU 36 - QD1 ILE 11 far 0 65 0 - 4.9-6.7 HB3 LYS 52 - QD1 ILE 23 far 0 74 0 - 5.8-7.3 HG LEU 70 - QD1 ILE 23 far 0 95 0 - 5.9-6.2 HG LEU 70 - QD1 ILE 11 far 0 100 0 - 9.7-11.1 QB ALA 57 - QD1 ILE 23 far 0 85 0 - 10.0-10.2 HG LEU 17 - QD1 ILE 23 far 0 53 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 191 from cnoeabs.peaks (0.77, 0.77, 13.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 11 + QD1 ILE 11 OK 100 100 - 100 QD1 ILE 23 + QD1 ILE 23 OK 92 92 - 100 Peak 192 from cnoeabs.peaks (9.16, 0.77, 13.56 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 12 + QD1 ILE 11 OK 100 100 100 100 4.2-4.3 6101=90, 6098/167=86...(8) H GLN 27 + QD1 ILE 11 OK 79 95 85 98 3.2-4.8 4.5/8743=42...(13) H LEU 12 - QD1 ILE 23 far 0 95 0 - 8.1-8.4 H TRP 16 - QD1 ILE 23 far 0 90 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 193 from cnoeabs.peaks (9.16, 4.68, 54.08 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 12 + HA LEU 12 OK 100 100 100 100 2.9-2.9 3.0=100 H GLN 27 - HA LEU 12 far 0 95 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 194 from cnoeabs.peaks (4.68, 4.68, 54.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 12 + HA LEU 12 OK 100 100 - 100 Peak 195 from cnoeabs.peaks (1.18, 4.68, 54.08 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 12 + HA LEU 12 OK 100 100 100 100 2.3-2.4 3.0=100 HG2 LYS 13 + HA LEU 12 OK 43 73 80 73 3.4-5.0 4.9/6111=38, 1.8/8789=30...(5) HG3 LYS 13 - HA LEU 12 poor 19 73 35 73 3.8-5.0 4.9/6111=38, 1.8/8789=27...(5) QD1 LEU 36 - HA LEU 12 far 0 75 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 196 from cnoeabs.peaks (1.86, 4.68, 54.08 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 12 + HA LEU 12 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 103 - HA LEU 12 far 0 100 0 - 5.0-7.7 HB VAL 76 - HA LEU 12 far 0 95 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 197 from cnoeabs.peaks (1.53, 4.68, 54.08 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 12 + HA LEU 12 OK 100 100 100 100 2.9-3.0 3.7=100 QB ALA 73 - HA LEU 12 far 0 100 0 - 5.1-5.2 HG LEU 36 - HA LEU 12 far 0 61 0 - 8.9-9.0 HB3 LEU 109 - HA LEU 12 far 0 82 0 - 9.4-19.7 HG LEU 109 - HA LEU 12 far 0 100 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 198 from cnoeabs.peaks (0.85, 4.68, 54.08 ppm; 3.00 A): 2 out of 6 assignments used, quality = 0.99: * QD1 LEU 12 + HA LEU 12 OK 93 100 100 93 2.7-2.8 226=51, 227/3.0=27...(12) QG2 VAL 25 + HA LEU 12 OK 89 100 100 89 2.1-2.4 226=49, 3.2/10292=34...(8) QG2 ILE 11 - HA LEU 12 far 0 100 0 - 4.4-4.5 QG1 VAL 103 - HA LEU 12 far 0 85 0 - 4.4-6.4 QD1 LEU 51 - HA LEU 12 far 0 99 0 - 4.7-5.0 QG2 VAL 102 - HA LEU 12 far 0 100 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 199 from cnoeabs.peaks (0.63, 4.68, 54.08 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 12 + HA LEU 12 OK 100 100 100 100 3.9-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 200 from cnoeabs.peaks (8.85, 4.68, 54.08 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 13 + HA LEU 12 OK 100 100 100 100 2.1-2.2 6111=100, 6114/3.7=35...(14) H GLU 101 - HA LEU 12 far 0 100 0 - 9.4-9.8 H SER 105 - HA LEU 12 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 201 from cnoeabs.peaks (9.16, 1.18, 43.12 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 12 + HB2 LEU 12 OK 100 100 100 100 3.3-3.4 6103=100, 6104/1.8=87...(11) H GLN 27 - HB2 LEU 12 far 0 95 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 202 from cnoeabs.peaks (4.68, 1.18, 43.12 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 12 + HB2 LEU 12 OK 100 100 100 100 2.3-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 203 from cnoeabs.peaks (1.18, 1.18, 43.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 12 + HB2 LEU 12 OK 100 100 - 100 Peak 204 from cnoeabs.peaks (1.86, 1.18, 43.12 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 12 + HB2 LEU 12 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 103 - HB2 LEU 12 far 0 100 0 - 6.3-9.0 HB VAL 76 - HB2 LEU 12 far 0 95 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 205 from cnoeabs.peaks (1.53, 1.18, 43.12 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 12 + HB2 LEU 12 OK 100 100 100 100 2.9-2.9 3.0=100 QB ALA 73 + HB2 LEU 12 OK 100 100 100 100 3.8-4.0 8492/3.1=41, ~8078=39...(24) HG LEU 36 - HB2 LEU 12 far 0 61 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 206 from cnoeabs.peaks (0.85, 1.18, 43.12 ppm; 3.22 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 12 + HB2 LEU 12 OK 100 100 100 100 2.1-2.2 3.1=100 QG2 VAL 25 + HB2 LEU 12 OK 87 100 100 87 2.3-2.6 227=45, 226/3.0=27...(14) QG2 VAL 102 - HB2 LEU 12 far 0 100 0 - 4.5-4.8 QG2 ILE 11 - HB2 LEU 12 far 0 100 0 - 4.6-4.7 QD1 LEU 51 - HB2 LEU 12 far 0 99 0 - 4.9-5.2 QG1 VAL 103 - HB2 LEU 12 far 0 85 0 - 5.6-7.5 Violated in 0 structures by 0.00 A. Peak 207 from cnoeabs.peaks (0.63, 1.18, 43.12 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 12 + HB2 LEU 12 OK 100 100 100 100 2.8-2.8 3.1=100 Violated in 0 structures by 0.00 A. Peak 208 from cnoeabs.peaks (8.85, 1.18, 43.12 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 13 + HB2 LEU 12 OK 100 100 100 100 4.1-4.3 4.5=100 H GLU 101 - HB2 LEU 12 far 0 100 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 209 from cnoeabs.peaks (9.16, 1.86, 43.12 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 12 + HB3 LEU 12 OK 100 100 100 100 2.6-2.6 3.9=100 H TRP 16 - HB2 LEU 17 far 0 83 0 - 6.9-7.2 H GLN 27 - HB3 LEU 12 far 0 95 0 - 9.9-10.0 Violated in 0 structures by 0.00 A. Peak 210 from cnoeabs.peaks (4.68, 1.86, 43.12 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 12 + HB3 LEU 12 OK 100 100 100 100 3.0-3.0 3.0=100 HA TRP 16 - HB2 LEU 17 far 0 70 0 - 5.5-5.7 HA ASN 108 - HB2 LEU 17 far 0 88 0 - 7.6-20.7 Violated in 0 structures by 0.00 A. Peak 211 from cnoeabs.peaks (1.18, 1.86, 43.12 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 12 + HB3 LEU 12 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 13 - HB3 LEU 12 far 0 73 0 - 5.4-6.4 HG3 LYS 13 - HB3 LEU 12 far 0 73 0 - 6.0-7.1 HD2 LYS 84 - HB2 LEU 17 far 0 77 0 - 7.1-11.3 HG2 LYS 84 - HB2 LEU 17 far 0 70 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 212 from cnoeabs.peaks (1.86, 1.86, 43.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 12 + HB3 LEU 12 OK 100 100 - 100 HB2 LEU 17 + HB2 LEU 17 OK 88 88 - 100 Peak 213 from cnoeabs.peaks (1.53, 1.86, 43.12 ppm; 4.14 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 12 + HB3 LEU 12 OK 100 100 100 100 2.7-2.8 3.0=100 QB ALA 73 + HB3 LEU 12 OK 95 100 95 100 4.6-4.7 8492/3.1=43, ~8078=41...(21) HB3 LEU 109 - HB2 LEU 17 far 0 67 0 - 5.9-22.6 HG LEU 109 - HB2 LEU 17 far 0 87 0 - 6.5-23.4 HB3 LEU 83 - HB2 LEU 17 far 0 64 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 214 from cnoeabs.peaks (0.85, 1.86, 43.12 ppm; 3.00 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 12 + HB3 LEU 12 OK 98 100 100 98 3.0-3.1 3.1=90, 227/1.8=40...(14) QD2 LEU 17 + HB2 LEU 17 OK 86 88 100 98 2.4-2.4 3.1=88, 448/3.0=45...(10) QD1 LEU 17 + HB2 LEU 17 OK 84 86 100 98 2.3-2.5 3.1=88, 475/3.0=33...(10) QG2 VAL 102 + HB3 LEU 12 OK 73 100 80 92 3.3-3.6 10212/3.1=43...(18) QG2 VAL 25 - HB3 LEU 12 far 0 100 0 - 3.8-4.0 QG2 ILE 11 - HB3 LEU 12 far 0 100 0 - 3.8-3.9 QG1 VAL 103 - HB3 LEU 12 far 0 85 0 - 4.6-6.6 QD1 LEU 51 - HB3 LEU 12 far 0 99 0 - 6.3-6.6 QD1 LEU 109 - HB2 LEU 17 far 0 88 0 - 6.4-19.7 HG LEU 15 - HB2 LEU 17 far 0 88 0 - 7.5-8.0 HB2 LYS 84 - HB2 LEU 17 far 0 87 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 215 from cnoeabs.peaks (0.63, 1.86, 43.12 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 12 + HB3 LEU 12 OK 100 100 100 100 1.9-2.0 3.1=100 QD1 LEU 83 - HB2 LEU 17 far 0 68 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 216 from cnoeabs.peaks (8.85, 1.86, 43.12 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 13 + HB3 LEU 12 OK 100 100 100 100 4.3-4.4 4.5=100 H GLU 101 - HB3 LEU 12 far 0 100 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 217 from cnoeabs.peaks (9.16, 1.53, 26.71 ppm; 5.47 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 12 + HG LEU 12 OK 100 100 100 100 4.3-4.4 5.3=100 H GLN 27 + HG LEU 36 OK 42 42 100 100 5.5-5.8 9142/2.1=95, 8997/3.0=81...(11) H TRP 16 - HG LEU 109 far 0 96 0 - 7.5-17.5 H LEU 12 - HG LEU 109 far 0 100 0 - 8.7-23.1 H TRP 16 - HG LEU 12 far 0 97 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 218 from cnoeabs.peaks (4.68, 1.53, 26.71 ppm; 3.93 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 12 + HG LEU 12 OK 100 100 100 100 2.9-3.0 3.7=100 HA LEU 36 + HG LEU 36 OK 31 31 100 100 3.1-3.2 3.7=100 HA ASN 108 - HG LEU 109 far 5 99 5 - 4.4-6.7 HA SER 105 - HG LEU 109 far 0 95 0 - 4.7-15.3 HA LEU 12 - HG LEU 36 far 0 48 0 - 8.9-9.0 HA TRP 16 - HG LEU 109 far 0 84 0 - 9.1-20.3 HA LEU 12 - HG LEU 109 far 0 100 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 219 from cnoeabs.peaks (1.18, 1.53, 26.71 ppm; 3.81 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 12 + HG LEU 12 OK 100 100 100 100 2.9-2.9 3.0=100 QD1 LEU 36 + HG LEU 36 OK 30 30 100 100 2.1-2.1 2.1=100 HG2 LYS 13 - HG LEU 12 far 0 73 0 - 4.7-5.8 HG3 LYS 13 - HG LEU 12 far 0 73 0 - 5.3-6.1 HG2 LYS 13 - HG LEU 109 far 0 72 0 - 7.3-19.7 HG3 LYS 13 - HG LEU 109 far 0 72 0 - 7.6-19.3 HG3 LYS 13 - HG LEU 36 far 0 29 0 - 9.2-11.5 HG2 LYS 13 - HG LEU 36 far 0 29 0 - 9.5-11.5 HB2 LEU 12 - HG LEU 36 far 0 48 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 220 from cnoeabs.peaks (1.86, 1.53, 26.71 ppm; 3.92 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 12 + HG LEU 12 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 GLU 110 - HG LEU 109 far 0 68 0 - 4.9-7.3 HB VAL 103 - HG LEU 12 far 0 100 0 - 4.9-7.7 HB VAL 103 - HG LEU 109 far 0 99 0 - 5.1-19.9 HB VAL 76 - HG LEU 12 far 0 95 0 - 5.6-5.8 HB2 GLU 110 - HG LEU 109 far 0 79 0 - 5.9-8.6 HB2 LEU 17 - HG LEU 109 far 0 99 0 - 6.5-23.4 HG3 PRO 35 - HG LEU 109 far 0 60 0 - 7.6-22.5 HG3 PRO 35 - HG LEU 36 far 0 23 0 - 8.1-8.3 HG3 GLU 56 - HG LEU 36 far 0 28 0 - 9.2-10.0 HB3 GLN 96 - HG LEU 109 far 0 98 0 - 9.6-21.6 Violated in 0 structures by 0.00 A. Peak 221 from cnoeabs.peaks (1.53, 1.53, 26.71 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 12 + HG LEU 12 OK 100 100 - 100 HG LEU 109 + HG LEU 109 OK 99 99 - 100 HG LEU 36 + HG LEU 36 OK 23 23 - 100 Peak 222 from cnoeabs.peaks (0.85, 1.53, 26.71 ppm; 2.65 A): 2 out of 20 assignments used, quality = 1.00: * QD1 LEU 12 + HG LEU 12 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 109 + HG LEU 109 OK 99 99 100 100 2.1-2.1 2.1=100 QG1 VAL 103 - HG LEU 109 far 4 84 5 - 2.3-14.9 QD2 LEU 17 - HG LEU 109 far 0 99 0 - 3.3-18.0 QG2 VAL 102 - HG LEU 12 far 0 100 0 - 3.8-4.2 QG2 VAL 25 - HG LEU 12 far 0 100 0 - 3.9-4.1 HG LEU 15 - HG LEU 109 far 0 99 0 - 4.3-16.1 QG1 VAL 103 - HG LEU 12 far 0 85 0 - 4.5-6.3 QD1 LEU 51 - HG LEU 36 far 0 45 0 - 4.9-5.2 QD1 LEU 17 - HG LEU 109 far 0 98 0 - 5.0-19.0 QG2 ILE 11 - HG LEU 12 far 0 100 0 - 5.6-5.7 QD1 LEU 51 - HG LEU 12 far 0 99 0 - 5.8-6.1 QG2 VAL 25 - HG LEU 36 far 0 48 0 - 5.9-6.2 QG2 ILE 11 - HG LEU 109 far 0 99 0 - 6.6-20.5 QD1 LEU 12 - HG LEU 36 far 0 48 0 - 8.6-9.0 QG2 VAL 6 - HG LEU 36 far 0 46 0 - 9.3-11.1 QG2 VAL 102 - HG LEU 109 far 0 99 0 - 9.4-18.8 QG2 ILE 11 - HG LEU 36 far 0 47 0 - 9.7-9.9 HG LEU 15 - HG LEU 12 far 0 100 0 - 9.8-10.6 QG1 VAL 6 - HG LEU 36 far 0 48 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 223 from cnoeabs.peaks (0.63, 1.53, 26.71 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 12 + HG LEU 12 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 12 - HG LEU 109 far 0 100 0 - 9.0-18.0 Violated in 0 structures by 0.00 A. Peak 224 from cnoeabs.peaks (8.85, 1.53, 26.71 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 13 + HG LEU 12 OK 100 100 100 100 2.7-3.2 6114=100, 6111/3.7=63...(10) H SER 105 - HG LEU 109 far 0 98 0 - 6.0-14.5 H GLU 101 - HG LEU 12 far 0 100 0 - 8.3-8.7 H SER 105 - HG LEU 12 far 0 99 0 - 8.7-9.5 H LYS 13 - HG LEU 109 far 0 100 0 - 9.0-19.4 H LYS 13 - HG LEU 36 far 0 48 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 225 from cnoeabs.peaks (9.16, 0.85, 23.88 ppm; 4.38 A increased from 3.69 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 12 + QD1 LEU 12 OK 100 100 100 100 4.6-4.7 4.7=82, 6104/3.1=80...(7) H LEU 12 + QG2 VAL 25 OK 94 99 100 95 4.1-4.3 3.0/226=43, 6103/227=36...(9) H GLN 27 - QG2 VAL 25 far 0 92 0 - 6.4-6.8 H LEU 12 - QD1 LEU 51 far 0 94 0 - 6.9-7.2 H GLN 27 - QD1 LEU 51 far 0 86 0 - 7.2-7.6 H GLN 27 - QD1 LEU 12 far 0 95 0 - 8.6-8.9 H TRP 16 - QD1 LEU 12 far 0 97 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 226 from cnoeabs.peaks (4.68, 0.85, 23.88 ppm; 2.92 A): 2 out of 7 assignments used, quality = 0.99: * HA LEU 12 + QD1 LEU 12 OK 91 100 100 91 2.7-2.8 198=47, 3.0/227=26...(12) HA LEU 12 + QG2 VAL 25 OK 86 99 100 87 2.1-2.4 198=45, 10292/3.2=32...(8) HA LEU 12 - QD1 LEU 51 far 0 94 0 - 4.7-5.0 HA LEU 36 - QD1 LEU 51 far 0 67 0 - 6.8-7.2 HA LEU 36 - QG2 VAL 25 far 0 74 0 - 7.4-7.7 HA TRP 16 - QD1 LEU 12 far 0 85 0 - 9.7-10.1 HA LEU 36 - QD1 LEU 12 far 0 77 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 227 from cnoeabs.peaks (1.18, 0.85, 23.88 ppm; 2.84 A): 2 out of 15 assignments used, quality = 0.98: * HB2 LEU 12 + QD1 LEU 12 OK 93 100 100 93 2.1-2.2 3.1=77, 3.0/226=22...(15) HB2 LEU 12 + QG2 VAL 25 OK 75 99 100 76 2.3-2.6 206=32, 3.0/226=21...(14) HG2 LYS 13 - QG2 VAL 25 far 0 70 0 - 4.8-6.4 HB2 LEU 12 - QD1 LEU 51 far 0 94 0 - 4.9-5.2 HG3 LYS 13 - QG2 VAL 25 far 0 70 0 - 5.2-6.6 HG2 LYS 13 - QD1 LEU 12 far 0 73 0 - 5.3-6.5 HG3 LYS 13 - QD1 LEU 12 far 0 73 0 - 5.6-6.3 QD1 LEU 36 - QD1 LEU 51 far 0 66 0 - 5.7-6.0 QD1 LEU 36 - QG2 VAL 25 far 0 72 0 - 6.3-6.5 HD3 LYS 52 - QD1 LEU 51 far 0 78 0 - 6.3-7.2 HG2 LYS 13 - QD1 LEU 51 far 0 64 0 - 6.6-8.4 HG3 LYS 13 - QD1 LEU 51 far 0 64 0 - 6.8-8.4 HD3 LYS 52 - QG2 VAL 25 far 0 85 0 - 7.6-8.8 HD3 LYS 52 - QD1 LEU 12 far 0 88 0 - 7.7-9.4 QD1 LEU 36 - QD1 LEU 12 far 0 75 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 228 from cnoeabs.peaks (1.86, 0.85, 23.88 ppm; 3.29 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 12 + QD1 LEU 12 OK 100 100 100 100 3.0-3.1 3.1=100 HB3 LEU 12 + QG2 VAL 25 OK 40 99 50 81 3.8-4.0 1.8/227=37, 3.0/226=28...(12) HB VAL 76 - QD1 LEU 12 far 0 95 0 - 4.5-4.9 HB VAL 103 - QD1 LEU 12 far 0 100 0 - 6.0-8.4 HG3 GLU 56 - QD1 LEU 51 far 0 62 0 - 6.2-6.8 HB3 LEU 12 - QD1 LEU 51 far 0 94 0 - 6.3-6.6 HB VAL 103 - QG2 VAL 25 far 0 98 0 - 6.6-9.0 HB VAL 76 - QG2 VAL 25 far 0 92 0 - 7.7-8.0 HG3 GLU 56 - QG2 VAL 25 far 0 68 0 - 8.1-8.6 HB3 GLU 56 - QD1 LEU 51 far 0 67 0 - 8.1-8.3 HB VAL 103 - QD1 LEU 51 far 0 93 0 - 8.8-11.1 HB VAL 76 - QD1 LEU 51 far 0 86 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 229 from cnoeabs.peaks (1.53, 0.85, 23.88 ppm; 2.50 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 12 + QD1 LEU 12 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 73 + QD1 LEU 12 OK 95 100 100 95 1.7-1.7 8492=31, 2.1/8069=28...(26) QB ALA 73 - QG2 VAL 25 far 0 99 0 - 3.6-4.0 HG LEU 12 - QG2 VAL 25 far 0 99 0 - 3.9-4.1 QB ALA 73 - QD1 LEU 51 far 0 94 0 - 4.4-4.7 HG LEU 36 - QD1 LEU 51 far 0 53 0 - 4.9-5.2 HG LEU 12 - QD1 LEU 51 far 0 94 0 - 5.8-6.1 HG LEU 36 - QG2 VAL 25 far 0 59 0 - 5.9-6.2 HB3 LYS 58 - QD1 LEU 51 far 0 75 0 - 7.7-8.5 HG LEU 36 - QD1 LEU 12 far 0 61 0 - 8.6-9.0 HB3 LYS 58 - QG2 VAL 25 far 0 82 0 - 8.9-9.7 HB3 LEU 109 - QD1 LEU 12 far 0 82 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 230 from cnoeabs.peaks (0.85, 0.85, 23.88 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 12 + QD1 LEU 12 OK 100 100 - 100 QG2 VAL 25 + QG2 VAL 25 OK 99 99 - 100 QD1 LEU 51 + QD1 LEU 51 OK 91 91 - 100 Peak 231 from cnoeabs.peaks (0.63, 0.85, 23.88 ppm; 2.51 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 12 + QD1 LEU 12 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 12 - QG2 VAL 25 far 0 99 0 - 4.1-4.4 QD2 LEU 12 - QD1 LEU 51 far 0 94 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 232 from cnoeabs.peaks (8.85, 0.85, 23.88 ppm; 3.61 A increased from 3.04 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 13 + QD1 LEU 12 OK 99 100 100 99 3.2-3.7 6114/2.1=65, 6115=51...(14) H LYS 13 + QG2 VAL 25 OK 94 99 100 96 3.6-3.9 6115=49, 10800/3.2=47...(10) H LYS 13 - QD1 LEU 51 far 0 94 0 - 5.3-5.8 H GLU 101 - QD1 LEU 12 far 0 100 0 - 7.9-8.1 H TRP 80 - QD1 LEU 12 far 0 79 0 - 9.1-9.5 H SER 105 - QD1 LEU 12 far 0 99 0 - 9.1-9.7 H GLU 101 - QG2 VAL 25 far 0 99 0 - 9.4-9.7 H ALA 64 - QG2 VAL 25 far 0 98 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 233 from cnoeabs.peaks (9.16, 0.63, 25.54 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 12 + QD2 LEU 12 OK 100 100 100 100 4.0-4.1 6107=100, 6104/3.1=81...(9) H TRP 16 - QD2 LEU 12 far 0 97 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 234 from cnoeabs.peaks (4.68, 0.63, 25.54 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 12 + QD2 LEU 12 OK 100 100 100 100 3.9-4.0 3.8=100 HA TRP 16 - QD2 LEU 12 far 0 85 0 - 8.7-9.1 HA SER 105 - QD2 LEU 12 far 0 96 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 235 from cnoeabs.peaks (1.18, 0.63, 25.54 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 12 + QD2 LEU 12 OK 100 100 100 100 2.8-2.8 3.1=100 HG2 LYS 13 - QD2 LEU 12 far 0 73 0 - 5.7-6.3 HG3 LYS 13 - QD2 LEU 12 far 0 73 0 - 6.2-7.0 HB2 LYS 98 - QD2 LEU 12 far 0 70 0 - 9.1-10.2 HD3 LYS 52 - QD2 LEU 12 far 0 88 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 236 from cnoeabs.peaks (1.86, 0.63, 25.54 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 12 + QD2 LEU 12 OK 100 100 100 100 1.9-2.0 3.1=100 HB VAL 76 + QD2 LEU 12 OK 92 95 100 97 3.3-3.5 2.1/8072=66, 9952=55...(10) HB VAL 103 - QD2 LEU 12 far 0 100 0 - 5.0-7.1 Violated in 0 structures by 0.00 A. Peak 237 from cnoeabs.peaks (1.53, 0.63, 25.54 ppm; 2.86 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 12 + QD2 LEU 12 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 73 + QD2 LEU 12 OK 99 100 100 99 2.4-3.0 2.1/8078=53...(25) HG LEU 109 - QD2 LEU 12 far 0 100 0 - 9.0-18.0 HB3 LEU 109 - QD2 LEU 12 far 0 82 0 - 9.1-18.2 Violated in 0 structures by 0.00 A. Peak 238 from cnoeabs.peaks (0.85, 0.63, 25.54 ppm; 2.48 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 12 + QD2 LEU 12 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 102 + QD2 LEU 12 OK 94 100 100 95 1.7-1.8 10212=51, 2.1/8073=29...(24) QG2 VAL 25 - QD2 LEU 12 far 0 100 0 - 4.1-4.4 QG1 VAL 103 - QD2 LEU 12 far 0 85 0 - 4.6-6.1 QG2 ILE 11 - QD2 LEU 12 far 0 100 0 - 4.8-4.9 QD1 LEU 51 - QD2 LEU 12 far 0 99 0 - 5.8-6.1 HD2 LYS 98 - QD2 LEU 12 far 0 91 0 - 8.2-9.6 QD1 LEU 109 - QD2 LEU 12 far 0 100 0 - 9.1-14.8 HG LEU 15 - QD2 LEU 12 far 0 100 0 - 9.3-10.0 QD1 LEU 17 - QD2 LEU 12 far 0 99 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 239 from cnoeabs.peaks (0.63, 0.63, 25.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 12 + QD2 LEU 12 OK 100 100 - 100 Peak 240 from cnoeabs.peaks (8.85, 0.63, 25.54 ppm; 4.70 A increased from 4.43 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 13 + QD2 LEU 12 OK 100 100 100 100 4.2-4.6 6116=100, 6114/2.1=93...(10) H GLU 101 - QD2 LEU 12 far 0 100 0 - 5.4-5.6 H TRP 80 - QD2 LEU 12 far 0 79 0 - 8.0-8.2 H SER 105 - QD2 LEU 12 far 0 99 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 241 from cnoeabs.peaks (8.85, 5.15, 53.27 ppm; 5.81 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 13 + HA LYS 13 OK 100 100 100 100 2.9-2.9 2.9=100 H SER 105 + HA LYS 13 OK 75 99 95 81 5.6-6.6 10248/3.6=75, 10254/10232=22 H GLU 101 - HA LYS 13 far 0 100 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 242 from cnoeabs.peaks (5.15, 5.15, 53.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 13 + HA LYS 13 OK 100 100 - 100 Peak 245 from cnoeabs.peaks (1.15, 5.15, 53.27 ppm; 6.00 A): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.5-3.2 3.9=100 HG3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.6-3.9 3.9=100 HB VAL 14 + HA LYS 13 OK 84 84 100 100 4.3-4.4 2.1/8813=99, 4.0/6129=94...(4) HB2 LEU 12 + HA LYS 13 OK 73 73 100 100 5.8-5.9 ~6111=72, ~200=71...(12) Violated in 0 structures by 0.00 A. Peak 246 from cnoeabs.peaks (1.15, 5.15, 53.27 ppm; 6.00 A): 4 out of 4 assignments used, quality = 1.00: HG2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.5-3.2 3.9=100 * HG3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.6-3.9 3.9=100 HB VAL 14 + HA LYS 13 OK 84 84 100 100 4.3-4.4 2.1/8813=99, 4.0/6129=94...(4) HB2 LEU 12 + HA LYS 13 OK 73 73 100 100 5.8-5.9 ~6111=72, ~200=71...(12) Violated in 0 structures by 0.00 A. Peak 251 from cnoeabs.peaks (8.54, 5.15, 53.27 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 14 + HA LYS 13 OK 100 100 100 100 2.1-2.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 252 from cnoeabs.peaks (8.85, 1.31, 33.70 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.5-3.8 4.0=100 H SER 105 - HB2 LYS 13 far 0 99 0 - 5.1-7.5 Violated in 0 structures by 0.00 A. Peak 253 from cnoeabs.peaks (5.15, 1.31, 33.70 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 254 from cnoeabs.peaks (1.31, 1.31, 33.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 Peak 255 from cnoeabs.peaks (1.60, 1.31, 33.70 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 11 - HB2 LYS 13 far 0 75 0 - 6.0-6.4 Violated in 0 structures by 0.00 A. Peak 256 from cnoeabs.peaks (1.15, 1.31, 33.70 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 14 - HB2 LYS 13 far 0 84 0 - 5.8-6.4 HB2 LEU 12 - HB2 LYS 13 far 0 73 0 - 6.7-7.5 QD1 LEU 36 - HB2 LYS 13 far 0 100 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 257 from cnoeabs.peaks (1.15, 1.31, 33.70 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 14 - HB2 LYS 13 far 0 84 0 - 5.8-6.4 HB2 LEU 12 - HB2 LYS 13 far 0 73 0 - 6.7-7.5 QD1 LEU 36 - HB2 LYS 13 far 0 100 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 263 from cnoeabs.peaks (8.85, 1.60, 33.70 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.8-3.7 4.0=100 H SER 105 - HB3 LYS 13 far 5 99 5 - 4.7-7.2 Violated in 0 structures by 0.00 A. Peak 264 from cnoeabs.peaks (5.15, 1.60, 33.70 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 265 from cnoeabs.peaks (1.31, 1.60, 33.70 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 266 from cnoeabs.peaks (1.60, 1.60, 33.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 Peak 267 from cnoeabs.peaks (1.15, 1.60, 33.70 ppm; 3.26 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HB VAL 14 - HB3 LYS 13 far 0 84 0 - 5.5-6.3 HB2 LEU 12 - HB3 LYS 13 far 0 73 0 - 6.8-7.7 QD1 LEU 36 - HB3 LYS 13 far 0 100 0 - 9.8-11.1 HG LEU 51 - HB3 LYS 13 far 0 61 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 268 from cnoeabs.peaks (1.15, 1.60, 33.70 ppm; 3.26 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HB VAL 14 - HB3 LYS 13 far 0 84 0 - 5.5-6.3 HB2 LEU 12 - HB3 LYS 13 far 0 73 0 - 6.8-7.7 QD1 LEU 36 - HB3 LYS 13 far 0 100 0 - 9.8-11.1 HG LEU 51 - HB3 LYS 13 far 0 61 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 269 from cnoeabs.peaks (1.48, 1.60, 33.70 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=100 HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.0-4.2 3.8=100 HB2 LEU 109 - HB3 LYS 13 far 0 100 0 - 7.8-15.2 HB2 LEU 36 - HB3 LYS 13 far 0 92 0 - 9.0-10.3 HB3 LEU 51 - HB3 LYS 13 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 270 from cnoeabs.peaks (1.48, 1.60, 33.70 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=100 * HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.0-4.2 3.8=100 HB2 LEU 109 - HB3 LYS 13 far 0 100 0 - 7.8-15.2 HB2 LEU 36 - HB3 LYS 13 far 0 92 0 - 9.0-10.3 HB3 LEU 51 - HB3 LYS 13 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 271 from cnoeabs.peaks (2.60, 1.60, 33.70 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 1.8-3.4 4.9=100 Violated in 0 structures by 0.00 A. Peak 273 from cnoeabs.peaks (8.54, 1.60, 33.70 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 14 + HB3 LYS 13 OK 100 100 100 100 3.1-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 274 from cnoeabs.peaks (8.85, 1.15, 23.43 ppm; 3.67 A): 2 out of 4 assignments used, quality = 1.00: H LYS 13 + HG3 LYS 13 OK 97 100 100 97 2.5-3.8 6118/3.0=51, 4.9=43...(14) * H LYS 13 + HG2 LYS 13 OK 97 100 100 97 2.3-3.7 6118/3.0=51, 4.9=43...(15) H SER 105 - HG2 LYS 13 far 0 99 0 - 6.6-8.5 H SER 105 - HG3 LYS 13 far 0 99 0 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 275 from cnoeabs.peaks (5.15, 1.15, 23.43 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HG2 LYS 13 OK 99 100 100 99 2.5-3.2 3.9=91, 6129/5.0=34...(16) HA LYS 13 + HG3 LYS 13 OK 99 100 100 99 2.6-3.9 3.9=91, 6129/5.0=34...(17) Violated in 0 structures by 0.00 A. Peak 276 from cnoeabs.peaks (1.31, 1.15, 23.43 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 28 - HG2 LYS 13 far 0 61 0 - 8.3-9.1 HG12 ILE 28 - HG3 LYS 13 far 0 61 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 277 from cnoeabs.peaks (1.60, 1.15, 23.43 ppm; 3.19 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HB ILE 11 + HG2 LYS 13 OK 33 75 75 59 3.4-4.3 3.2/8803=16, 8757=12...(14) HB ILE 11 - HG3 LYS 13 far 4 75 5 - 3.7-5.2 HG LEU 36 - HG3 LYS 13 far 0 70 0 - 9.2-11.5 HG LEU 36 - HG2 LYS 13 far 0 70 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 278 from cnoeabs.peaks (1.15, 1.15, 23.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 * HG2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 Peak 279 from cnoeabs.peaks (1.15, 1.15, 23.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 HG2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 Reference assignment not found: HG3 LYS 13 - HG2 LYS 13 Peak 280 from cnoeabs.peaks (1.48, 1.15, 23.43 ppm; 3.01 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 36 - HG3 LYS 13 far 0 92 0 - 7.4-9.3 HB2 LEU 109 - HG3 LYS 13 far 0 100 0 - 7.6-17.6 HB2 LEU 36 - HG2 LYS 13 far 0 92 0 - 7.6-9.3 HB2 LEU 109 - HG2 LYS 13 far 0 100 0 - 7.9-17.8 HB3 LEU 51 - HG3 LYS 13 far 0 100 0 - 9.5-11.3 HB3 LEU 51 - HG2 LYS 13 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 281 from cnoeabs.peaks (1.48, 1.15, 23.43 ppm; 3.01 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 36 - HG3 LYS 13 far 0 92 0 - 7.4-9.3 HB2 LEU 109 - HG3 LYS 13 far 0 100 0 - 7.6-17.6 HB2 LEU 36 - HG2 LYS 13 far 0 92 0 - 7.6-9.3 HB2 LEU 109 - HG2 LYS 13 far 0 100 0 - 7.9-17.8 HB3 LEU 51 - HG3 LYS 13 far 0 100 0 - 9.5-11.3 HB3 LEU 51 - HG2 LYS 13 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 282 from cnoeabs.peaks (2.60, 1.15, 23.43 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.9 3.9=100 * HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.8-4.0 3.9=100 HG3 GLN 72 - HG2 LYS 13 far 0 61 0 - 9.1-10.4 HG3 GLN 72 - HG3 LYS 13 far 0 61 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 283 from cnoeabs.peaks (2.48, 1.15, 23.43 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-4.2 3.9=100 * HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.5-4.2 3.9=100 HB3 TYR 39 - HG3 LYS 13 far 0 85 0 - 8.0-10.1 HB3 TYR 39 - HG2 LYS 13 far 0 85 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 284 from cnoeabs.peaks (8.54, 1.15, 23.43 ppm; 5.09 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 14 + HG2 LYS 13 OK 100 100 100 100 4.5-5.2 5.0=100 H VAL 14 + HG3 LYS 13 OK 50 100 50 100 4.5-5.7 5.0=100 H ILE 28 - HG3 LYS 13 far 0 85 0 - 8.4-9.4 H ILE 28 - HG2 LYS 13 far 0 85 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 285 from cnoeabs.peaks (8.85, 1.15, 23.43 ppm; 3.67 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 13 + HG3 LYS 13 OK 97 100 100 97 2.5-3.8 6118/3.0=51, 4.9=43...(14) H LYS 13 + HG2 LYS 13 OK 97 100 100 97 2.3-3.7 6118/3.0=51, 4.9=43...(15) H SER 105 - HG2 LYS 13 far 0 99 0 - 6.6-8.5 H SER 105 - HG3 LYS 13 far 0 99 0 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 286 from cnoeabs.peaks (5.15, 1.15, 23.43 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 13 + HG2 LYS 13 OK 99 100 100 99 2.5-3.2 3.9=91, 6129/5.0=34...(16) * HA LYS 13 + HG3 LYS 13 OK 99 100 100 99 2.6-3.9 3.9=91, 6129/5.0=34...(17) Violated in 0 structures by 0.00 A. Peak 287 from cnoeabs.peaks (1.31, 1.15, 23.43 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 28 - HG2 LYS 13 far 0 61 0 - 8.3-9.1 HG12 ILE 28 - HG3 LYS 13 far 0 61 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 288 from cnoeabs.peaks (1.60, 1.15, 23.43 ppm; 3.19 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HB ILE 11 + HG2 LYS 13 OK 33 75 75 59 3.4-4.3 3.2/8803=16, 8757=12...(14) HB ILE 11 - HG3 LYS 13 far 4 75 5 - 3.7-5.2 HG LEU 36 - HG3 LYS 13 far 0 70 0 - 9.2-11.5 HG LEU 36 - HG2 LYS 13 far 0 70 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 289 from cnoeabs.peaks (1.15, 1.15, 23.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 HG2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 Reference assignment not found: HG2 LYS 13 - HG3 LYS 13 Peak 290 from cnoeabs.peaks (1.15, 1.15, 23.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 HG2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 Peak 291 from cnoeabs.peaks (1.48, 1.15, 23.43 ppm; 3.01 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 * HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 36 - HG3 LYS 13 far 0 92 0 - 7.4-9.3 HB2 LEU 109 - HG3 LYS 13 far 0 100 0 - 7.6-17.6 HB2 LEU 36 - HG2 LYS 13 far 0 92 0 - 7.6-9.3 HB2 LEU 109 - HG2 LYS 13 far 0 100 0 - 7.9-17.8 HB3 LEU 51 - HG3 LYS 13 far 0 100 0 - 9.5-11.3 HB3 LEU 51 - HG2 LYS 13 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 292 from cnoeabs.peaks (1.48, 1.15, 23.43 ppm; 3.01 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 * HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 36 - HG3 LYS 13 far 0 92 0 - 7.4-9.3 HB2 LEU 109 - HG3 LYS 13 far 0 100 0 - 7.6-17.6 HB2 LEU 36 - HG2 LYS 13 far 0 92 0 - 7.6-9.3 HB2 LEU 109 - HG2 LYS 13 far 0 100 0 - 7.9-17.8 HB3 LEU 51 - HG3 LYS 13 far 0 100 0 - 9.5-11.3 HB3 LEU 51 - HG2 LYS 13 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 293 from cnoeabs.peaks (2.60, 1.15, 23.43 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-3.9 3.9=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.8-4.0 3.9=100 HG3 GLN 72 - HG2 LYS 13 far 0 61 0 - 9.1-10.4 HG3 GLN 72 - HG3 LYS 13 far 0 61 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 294 from cnoeabs.peaks (2.48, 1.15, 23.43 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-4.2 3.9=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.5-4.2 3.9=100 HB3 TYR 39 - HG3 LYS 13 far 0 85 0 - 8.0-10.1 HB3 TYR 39 - HG2 LYS 13 far 0 85 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 295 from cnoeabs.peaks (8.54, 1.15, 23.43 ppm; 5.09 A): 2 out of 4 assignments used, quality = 1.00: H VAL 14 + HG2 LYS 13 OK 100 100 100 100 4.5-5.2 5.0=100 * H VAL 14 + HG3 LYS 13 OK 50 100 50 100 4.5-5.7 5.0=100 H ILE 28 - HG3 LYS 13 far 0 85 0 - 8.4-9.4 H ILE 28 - HG2 LYS 13 far 0 85 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 297 from cnoeabs.peaks (5.15, 1.48, 28.30 ppm; 4.84 A increased from 4.56 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.7-4.9 5.4=74, 275/3.0=42...(14) HA LYS 13 + HD3 LYS 13 OK 99 100 100 99 4.1-4.8 5.4=74, 275/3.0=42...(14) Violated in 0 structures by 0.00 A. Peak 298 from cnoeabs.peaks (1.31, 1.48, 28.30 ppm; 3.81 A increased from 3.58 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.5-3.8 3.8=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.5-4.1 3.8=100 HG12 ILE 28 - HD3 LYS 13 far 0 61 0 - 8.1-10.2 HG12 ILE 28 - HD2 LYS 13 far 0 61 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 299 from cnoeabs.peaks (1.60, 1.48, 28.30 ppm; 3.81 A increased from 3.58 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=100 HB3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 3.0-4.2 3.8=100 HB ILE 11 + HD3 LYS 13 OK 27 75 55 66 3.9-6.0 3.2/8804=18, 8757/3.0=17...(12) HB ILE 11 - HD2 LYS 13 far 8 75 10 - 4.4-5.8 HB ILE 28 - HD3 LYS 13 far 0 92 0 - 9.7-11.6 HG LEU 36 - HD3 LYS 13 far 0 70 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 300 from cnoeabs.peaks (1.15, 1.48, 28.30 ppm; 3.02 A): 4 out of 10 assignments used, quality = 1.00: HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 14 - HD2 LYS 13 far 0 84 0 - 6.8-9.0 HB2 LEU 12 - HD2 LYS 13 far 0 73 0 - 7.2-8.7 HB2 LEU 12 - HD3 LYS 13 far 0 73 0 - 7.6-8.5 HB VAL 14 - HD3 LYS 13 far 0 84 0 - 8.2-8.9 QD1 LEU 36 - HD3 LYS 13 far 0 100 0 - 8.9-10.1 QD1 LEU 36 - HD2 LYS 13 far 0 100 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 301 from cnoeabs.peaks (1.15, 1.48, 28.30 ppm; 3.02 A): 4 out of 10 assignments used, quality = 1.00: HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 * HG3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 14 - HD2 LYS 13 far 0 84 0 - 6.8-9.0 HB2 LEU 12 - HD2 LYS 13 far 0 73 0 - 7.2-8.7 HB2 LEU 12 - HD3 LYS 13 far 0 73 0 - 7.6-8.5 HB VAL 14 - HD3 LYS 13 far 0 84 0 - 8.2-8.9 QD1 LEU 36 - HD3 LYS 13 far 0 100 0 - 8.9-10.1 QD1 LEU 36 - HD2 LYS 13 far 0 100 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 302 from cnoeabs.peaks (1.48, 1.48, 28.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 * HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 Peak 303 from cnoeabs.peaks (1.48, 1.48, 28.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 Reference assignment not found: HD3 LYS 13 - HD2 LYS 13 Peak 304 from cnoeabs.peaks (2.60, 1.48, 28.30 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 305 from cnoeabs.peaks (2.48, 1.48, 28.30 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 39 - HD3 LYS 13 far 0 85 0 - 7.8-10.5 HB3 TYR 39 - HD2 LYS 13 far 0 85 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 307 from cnoeabs.peaks (8.85, 1.48, 28.30 ppm; 5.83 A): 2 out of 4 assignments used, quality = 1.00: H LYS 13 + HD2 LYS 13 OK 100 100 100 100 4.4-5.1 5.8=100 * H LYS 13 + HD3 LYS 13 OK 100 100 100 100 4.4-5.1 5.8=100 H SER 105 - HD2 LYS 13 poor 20 99 20 - 4.9-8.1 H SER 105 - HD3 LYS 13 far 0 99 0 - 6.7-8.7 Violated in 0 structures by 0.00 A. Peak 308 from cnoeabs.peaks (5.15, 1.48, 28.30 ppm; 4.84 A increased from 4.56 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.7-4.9 5.4=74, 275/3.0=42...(14) * HA LYS 13 + HD3 LYS 13 OK 99 100 100 99 4.1-4.8 5.4=74, 275/3.0=42...(14) Violated in 0 structures by 0.00 A. Peak 309 from cnoeabs.peaks (1.31, 1.48, 28.30 ppm; 3.81 A increased from 3.58 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.5-3.8 3.8=100 * HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.5-4.1 3.8=100 HG12 ILE 28 - HD3 LYS 13 far 0 61 0 - 8.1-10.2 HG12 ILE 28 - HD2 LYS 13 far 0 61 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 310 from cnoeabs.peaks (1.60, 1.48, 28.30 ppm; 3.81 A increased from 3.58 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=100 * HB3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 3.0-4.2 3.8=100 HB ILE 11 + HD3 LYS 13 OK 27 75 55 66 3.9-6.0 3.2/8804=18, 8757/3.0=17...(12) HB ILE 11 - HD2 LYS 13 far 8 75 10 - 4.4-5.8 HB ILE 28 - HD3 LYS 13 far 0 92 0 - 9.7-11.6 HG LEU 36 - HD3 LYS 13 far 0 70 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 311 from cnoeabs.peaks (1.15, 1.48, 28.30 ppm; 3.02 A): 4 out of 10 assignments used, quality = 1.00: * HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 14 - HD2 LYS 13 far 0 84 0 - 6.8-9.0 HB2 LEU 12 - HD2 LYS 13 far 0 73 0 - 7.2-8.7 HB2 LEU 12 - HD3 LYS 13 far 0 73 0 - 7.6-8.5 HB VAL 14 - HD3 LYS 13 far 0 84 0 - 8.2-8.9 QD1 LEU 36 - HD3 LYS 13 far 0 100 0 - 8.9-10.1 QD1 LEU 36 - HD2 LYS 13 far 0 100 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 312 from cnoeabs.peaks (1.15, 1.48, 28.30 ppm; 3.02 A): 4 out of 10 assignments used, quality = 1.00: HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-2.6 3.0=100 * HG3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 14 - HD2 LYS 13 far 0 84 0 - 6.8-9.0 HB2 LEU 12 - HD2 LYS 13 far 0 73 0 - 7.2-8.7 HB2 LEU 12 - HD3 LYS 13 far 0 73 0 - 7.6-8.5 HB VAL 14 - HD3 LYS 13 far 0 84 0 - 8.2-8.9 QD1 LEU 36 - HD3 LYS 13 far 0 100 0 - 8.9-10.1 QD1 LEU 36 - HD2 LYS 13 far 0 100 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 313 from cnoeabs.peaks (1.48, 1.48, 28.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 Reference assignment not found: HD2 LYS 13 - HD3 LYS 13 Peak 314 from cnoeabs.peaks (1.48, 1.48, 28.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 Peak 315 from cnoeabs.peaks (2.60, 1.48, 28.30 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 316 from cnoeabs.peaks (2.48, 1.48, 28.30 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 39 - HD3 LYS 13 far 0 85 0 - 7.8-10.5 HB3 TYR 39 - HD2 LYS 13 far 0 85 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 320 from cnoeabs.peaks (1.31, 2.60, 41.15 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 13 + HE2 LYS 13 OK 100 100 100 100 2.0-3.3 1.8/321=90, 4.9=87...(12) Violated in 0 structures by 0.00 A. Peak 321 from cnoeabs.peaks (1.60, 2.60, 41.15 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LYS 13 + HE2 LYS 13 OK 99 100 100 99 1.8-3.4 1.8/320=62, 4.9=60...(11) HB ILE 11 - HE2 LYS 13 far 0 75 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 322 from cnoeabs.peaks (1.15, 2.60, 41.15 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.8-4.0 3.9=91, 3.0/321=52...(11) HG3 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.4-3.9 3.9=91, 3.0/321=52...(11) HB VAL 14 - HE2 LYS 13 far 0 84 0 - 7.1-8.6 HB2 LEU 12 - HE2 LYS 13 far 0 73 0 - 9.0-9.8 QD1 LEU 36 - HE2 LYS 13 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 323 from cnoeabs.peaks (1.15, 2.60, 41.15 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.8-4.0 3.9=91, 3.0/321=52...(11) * HG3 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.4-3.9 3.9=91, 3.0/321=52...(11) HB VAL 14 - HE2 LYS 13 far 0 84 0 - 7.1-8.6 HB2 LEU 12 - HE2 LYS 13 far 0 73 0 - 9.0-9.8 QD1 LEU 36 - HE2 LYS 13 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 324 from cnoeabs.peaks (1.48, 2.60, 41.15 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 13 + HE2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 13 + HE2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 109 - HE2 LYS 13 far 0 100 0 - 5.6-15.1 HB2 LEU 36 - HE2 LYS 13 far 0 92 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 325 from cnoeabs.peaks (1.48, 2.60, 41.15 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 13 + HE2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 109 - HE2 LYS 13 far 0 100 0 - 5.6-15.1 HB2 LEU 36 - HE2 LYS 13 far 0 92 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 326 from cnoeabs.peaks (2.60, 2.60, 41.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 Peak 327 from cnoeabs.peaks (2.48, 2.60, 41.15 ppm; 2.67 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 13 + HE2 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 39 - HE2 LYS 13 far 0 85 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 331 from cnoeabs.peaks (1.31, 2.48, 41.15 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.0-4.3 4.9=100 HB ILE 61 + HB2 ASP 65 OK 43 45 95 100 5.4-7.0 ~8373=94, ~8284=85...(5) HG2 ARG 66 - HB2 ASP 65 far 10 69 15 - 5.3-7.9 HG12 ILE 28 - HB2 ASP 65 far 0 41 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 332 from cnoeabs.peaks (1.60, 2.48, 41.15 ppm; 4.26 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 13 + HE3 LYS 13 OK 99 100 100 99 1.9-4.1 321/1.8=80, 4.9=65...(12) QB ALA 62 + HB2 ASP 65 OK 61 61 100 100 3.3-4.1 9652=82, 8390/1.8=77...(10) HB2 ARG 66 - HB2 ASP 65 far 0 74 0 - 5.4-6.8 HB2 LEU 55 - HB2 ASP 65 far 0 77 0 - 6.2-7.8 HB ILE 11 - HE3 LYS 13 far 0 75 0 - 6.2-7.5 HB ILE 28 - HB2 ASP 65 far 0 66 0 - 7.0-7.5 HG13 ILE 67 - HB2 ASP 65 far 0 78 0 - 7.4-7.7 HD2 LYS 58 - HB2 ASP 65 far 0 65 0 - 7.6-8.6 HG LEU 36 - HB2 ASP 65 far 0 47 0 - 7.8-9.0 HB ILE 11 - HB2 ASP 65 far 0 51 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 333 from cnoeabs.peaks (1.15, 2.48, 41.15 ppm; 4.09 A): 2 out of 10 assignments used, quality = 1.00: HG3 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.4-4.2 3.9=100 * HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.5-4.2 3.9=100 HG3 ARG 66 - HB2 ASP 65 far 10 69 15 - 3.7-6.8 QD1 LEU 36 - HB2 ASP 65 far 0 78 0 - 6.7-7.5 HB VAL 14 - HE3 LYS 13 far 0 84 0 - 7.1-9.3 HB2 LEU 12 - HE3 LYS 13 far 0 73 0 - 8.6-10.2 QG2 THR 5 - HB2 ASP 65 far 0 71 0 - 9.0-12.7 HG LEU 51 - HB2 ASP 65 far 0 41 0 - 9.1-10.5 HB2 LEU 12 - HB2 ASP 65 far 0 50 0 - 9.2-10.0 QD1 LEU 36 - HE3 LYS 13 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 334 from cnoeabs.peaks (1.15, 2.48, 41.15 ppm; 4.09 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.4-4.2 3.9=100 HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.5-4.2 3.9=100 HG3 ARG 66 - HB2 ASP 65 far 10 69 15 - 3.7-6.8 QD1 LEU 36 - HB2 ASP 65 far 0 78 0 - 6.7-7.5 HB VAL 14 - HE3 LYS 13 far 0 84 0 - 7.1-9.3 HB2 LEU 12 - HE3 LYS 13 far 0 73 0 - 8.6-10.2 QG2 THR 5 - HB2 ASP 65 far 0 71 0 - 9.0-12.7 HG LEU 51 - HB2 ASP 65 far 0 41 0 - 9.1-10.5 HB2 LEU 12 - HB2 ASP 65 far 0 50 0 - 9.2-10.0 QD1 LEU 36 - HE3 LYS 13 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 335 from cnoeabs.peaks (1.48, 2.48, 41.15 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 109 - HE3 LYS 13 far 5 100 5 - 4.4-15.7 HB2 LEU 36 - HB2 ASP 65 far 0 66 0 - 7.8-8.7 HB2 LEU 36 - HE3 LYS 13 far 0 92 0 - 8.3-10.5 HG3 LYS 58 - HB2 ASP 65 far 0 74 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 336 from cnoeabs.peaks (1.48, 2.48, 41.15 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 109 - HE3 LYS 13 far 5 100 5 - 4.4-15.7 HB2 LEU 36 - HB2 ASP 65 far 0 66 0 - 7.8-8.7 HB2 LEU 36 - HE3 LYS 13 far 0 92 0 - 8.3-10.5 HG3 LYS 58 - HB2 ASP 65 far 0 74 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 337 from cnoeabs.peaks (2.60, 2.48, 41.15 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 72 - HB2 ASP 65 far 0 41 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 338 from cnoeabs.peaks (2.48, 2.48, 41.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HB2 ASP 65 + HB2 ASP 65 OK 56 56 - 100 Peak 341 from cnoeabs.peaks (5.36, 5.36, 59.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 14 + HA VAL 14 OK 100 100 - 100 Peak 343 from cnoeabs.peaks (0.50, 5.36, 59.20 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 14 + HA VAL 14 OK 100 100 100 100 2.1-2.3 3.2=100 HG12 ILE 77 - HA VAL 14 far 0 100 0 - 6.6-7.1 QD2 LEU 51 - HA VAL 14 far 0 85 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 344 from cnoeabs.peaks (0.95, 5.36, 59.20 ppm; 6.00 A): 3 out of 4 assignments used, quality = 1.00: * QG1 VAL 14 + HA VAL 14 OK 100 100 100 100 2.5-2.7 3.2=100 QG1 VAL 76 + HA VAL 14 OK 100 100 100 100 4.3-4.5 10930/3.0=99, ~10854=82...(15) HB2 LEU 15 + HA VAL 14 OK 78 99 100 78 4.2-4.3 6150/3.6=46, ~366=28...(6) QG1 VAL 25 - HA VAL 14 far 0 82 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 345 from cnoeabs.peaks (8.89, 5.36, 59.20 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 15 + HA VAL 14 OK 100 100 100 100 2.1-2.2 3.6=100 H ALA 24 + HA VAL 14 OK 77 82 100 94 3.5-3.7 10317=67, 4.4/10770=47...(8) H SER 105 - HA VAL 14 far 0 79 0 - 5.8-6.5 H TRP 80 - HA VAL 14 far 0 99 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 346 from cnoeabs.peaks (8.54, 1.12, 36.50 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 14 + HB VAL 14 OK 100 100 100 100 2.3-2.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 347 from cnoeabs.peaks (5.36, 1.12, 36.50 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 14 + HB VAL 14 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 348 from cnoeabs.peaks (1.12, 1.12, 36.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 14 + HB VAL 14 OK 100 100 - 100 Peak 349 from cnoeabs.peaks (0.50, 1.12, 36.50 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 14 + HB VAL 14 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 77 - HB VAL 14 far 0 100 0 - 7.6-8.0 QD2 LEU 51 - HB VAL 14 far 0 85 0 - 7.9-8.3 HG3 LYS 98 - HB VAL 14 far 0 82 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 350 from cnoeabs.peaks (0.95, 1.12, 36.50 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 14 + HB VAL 14 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 76 + HB VAL 14 OK 100 100 100 100 3.1-3.3 10930=94, ~10854=51...(15) HB2 LEU 15 - HB VAL 14 far 0 99 0 - 6.2-6.5 QG1 VAL 25 - HB VAL 14 far 0 82 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 352 from cnoeabs.peaks (8.54, 0.50, 23.02 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.97: * H VAL 14 + QG2 VAL 14 OK 97 100 100 97 3.0-3.2 4.0=86, 6129/8813=42...(7) Violated in 0 structures by 0.00 A. Peak 353 from cnoeabs.peaks (5.36, 0.50, 23.02 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 14 + QG2 VAL 14 OK 100 100 100 100 2.1-2.3 3.2=100 HG1 THR 37 - QG2 VAL 14 far 0 100 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 354 from cnoeabs.peaks (1.12, 0.50, 23.02 ppm; 3.33 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 14 + QG2 VAL 14 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 13 - QG2 VAL 14 far 0 84 0 - 5.9-6.5 HG3 LYS 13 - QG2 VAL 14 far 0 84 0 - 6.4-6.9 HB2 LEU 51 - QG2 VAL 14 far 0 93 0 - 7.2-8.0 HD3 LYS 98 - QG2 VAL 14 far 0 99 0 - 7.9-9.9 HG LEU 51 - QG2 VAL 14 far 0 98 0 - 8.2-8.7 HB2 LYS 98 - QG2 VAL 14 far 0 87 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 355 from cnoeabs.peaks (0.50, 0.50, 23.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 14 + QG2 VAL 14 OK 100 100 - 100 Peak 356 from cnoeabs.peaks (0.95, 0.50, 23.02 ppm; 2.62 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 14 + QG2 VAL 14 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 76 + QG2 VAL 14 OK 93 100 100 93 1.8-2.0 2.1/10854=46...(20) HB2 LEU 15 - QG2 VAL 14 far 0 99 0 - 5.5-5.7 QG2 THR 74 - QG2 VAL 14 far 0 97 0 - 7.3-7.4 QG1 VAL 25 - QG2 VAL 14 far 0 82 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 357 from cnoeabs.peaks (8.89, 0.50, 23.02 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.99: * H LEU 15 + QG2 VAL 14 OK 97 100 100 97 3.4-3.7 4.2=67, 363/2.1=66...(8) H ALA 24 + QG2 VAL 14 OK 78 82 100 95 3.2-4.0 3.6/8084=42...(14) H TRP 80 - QG2 VAL 14 far 0 99 0 - 6.1-6.5 H SER 105 - QG2 VAL 14 far 0 79 0 - 6.3-6.8 H GLU 101 - QG2 VAL 14 far 0 59 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 358 from cnoeabs.peaks (8.54, 0.95, 22.15 ppm; 4.57 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 14 + QG1 VAL 14 OK 100 100 100 100 3.6-3.7 4.0=100 H ILE 28 - QG1 VAL 25 far 0 37 0 - 5.2-5.4 H GLU 56 - QG1 VAL 25 far 0 51 0 - 6.8-7.0 H ILE 67 - QG1 VAL 25 far 0 50 0 - 7.0-7.4 H SER 9 - QG1 VAL 25 far 0 26 0 - 8.0-8.2 H VAL 14 - QG1 VAL 25 far 0 51 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 359 from cnoeabs.peaks (5.36, 0.95, 22.15 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 14 + QG1 VAL 14 OK 100 100 100 100 2.5-2.7 3.2=100 HG1 THR 37 + QG1 VAL 25 OK 33 50 100 66 3.2-3.8 8959/4.0=27, 8782/2.1=21...(9) HA VAL 14 - QG1 VAL 25 far 0 51 0 - 8.8-9.0 HG1 THR 37 - QG1 VAL 14 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 360 from cnoeabs.peaks (1.12, 0.95, 22.15 ppm; 3.30 A): 1 out of 19 assignments used, quality = 1.00: * HB VAL 14 + QG1 VAL 14 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 36 - QG1 VAL 25 far 0 36 0 - 4.2-4.4 HG LEU 51 - QG1 VAL 25 far 0 47 0 - 4.7-5.1 HG2 LYS 13 - QG1 VAL 25 far 0 36 0 - 5.1-6.8 HG3 LYS 13 - QG1 VAL 25 far 0 36 0 - 5.3-6.9 HB2 LEU 51 - QG1 VAL 25 far 0 43 0 - 5.4-6.4 HG3 ARG 66 - QG1 VAL 25 far 0 49 0 - 6.0-7.5 QG2 THR 8 - QG1 VAL 25 far 0 24 0 - 6.3-6.5 HG2 LYS 13 - QG1 VAL 14 far 0 84 0 - 7.2-7.7 HG3 LYS 13 - QG1 VAL 14 far 0 84 0 - 7.3-8.0 HB2 LYS 98 - QG1 VAL 14 far 0 87 0 - 7.6-9.3 HD3 LYS 52 - QG2 THR 74 far 0 30 0 - 7.9-9.4 HD3 LYS 98 - QG1 VAL 14 far 0 99 0 - 8.0-9.5 HD3 LYS 98 - QG2 THR 74 far 0 52 0 - 9.0-10.9 HD3 LYS 52 - QG1 VAL 25 far 0 28 0 - 9.0-10.0 HB2 LEU 51 - QG2 THR 74 far 0 45 0 - 9.0-10.2 HB2 LEU 51 - QG1 VAL 14 far 0 93 0 - 9.1-10.1 HG LEU 51 - QG2 THR 74 far 0 50 0 - 9.2-9.5 HB VAL 14 - QG1 VAL 25 far 0 51 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 361 from cnoeabs.peaks (0.50, 0.95, 22.15 ppm; 3.03 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 14 + QG1 VAL 14 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 51 - QG1 VAL 25 far 0 37 0 - 3.8-4.1 HG12 ILE 77 - QG1 VAL 14 far 0 100 0 - 5.0-5.6 QD2 LEU 51 - QG2 THR 74 far 0 40 0 - 6.9-7.1 QD2 LEU 51 - QG1 VAL 14 far 0 85 0 - 7.0-7.6 HG12 ILE 77 - QG2 THR 74 far 0 54 0 - 7.2-7.4 QG2 VAL 14 - QG2 THR 74 far 0 54 0 - 7.3-7.4 QG2 VAL 14 - QG1 VAL 25 far 0 51 0 - 7.3-7.6 HB2 LYS 52 - QG1 VAL 25 far 0 34 0 - 7.5-8.8 HG3 LYS 98 - QG1 VAL 14 far 0 82 0 - 7.5-10.4 HG3 LYS 98 - QG2 THR 74 far 0 38 0 - 9.2-11.9 HB2 LYS 52 - QG2 THR 74 far 0 36 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 362 from cnoeabs.peaks (0.95, 0.95, 22.15 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG1 VAL 14 + QG1 VAL 14 OK 100 100 - 100 QG2 THR 74 + QG2 THR 74 OK 49 49 - 100 QG1 VAL 25 + QG1 VAL 25 OK 36 36 - 100 Peak 363 from cnoeabs.peaks (8.89, 0.95, 22.15 ppm; 3.77 A): 1 out of 8 assignments used, quality = 0.95: * H LEU 15 + QG1 VAL 14 OK 95 100 100 95 2.2-2.7 4.2=73, 357/2.1=40...(11) H SER 105 - QG1 VAL 14 far 0 79 0 - 4.6-5.1 H ALA 24 - QG1 VAL 14 far 0 82 0 - 5.3-5.7 H TRP 80 - QG1 VAL 14 far 0 99 0 - 5.7-5.9 H ALA 24 - QG1 VAL 25 far 0 36 0 - 6.2-6.3 H TRP 80 - QG2 THR 74 far 0 51 0 - 7.8-8.0 H GLU 101 - QG1 VAL 14 far 0 59 0 - 8.8-9.0 H GLU 101 - QG2 THR 74 far 0 25 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 365 from cnoeabs.peaks (4.96, 4.96, 52.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 15 + HA LEU 15 OK 100 100 - 100 Peak 366 from cnoeabs.peaks (0.96, 4.96, 52.71 ppm; 3.76 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 15 + HA LEU 15 OK 100 100 100 100 2.6-2.7 2.9=100 QG1 VAL 14 + HA LEU 15 OK 78 99 100 79 3.4-3.6 363/3.0=57, 6159/3.6=20...(6) QG1 VAL 76 - HA LEU 15 far 0 96 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 367 from cnoeabs.peaks (1.23, 4.96, 52.71 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 15 + HA LEU 15 OK 100 100 100 100 3.0-3.0 2.9=100 HG13 ILE 23 - HA LEU 15 far 0 100 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 368 from cnoeabs.peaks (0.84, 4.96, 52.71 ppm; 4.62 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 15 + HA LEU 15 OK 100 100 100 100 2.3-2.4 4.3=100 QG1 VAL 103 - HA LEU 15 far 8 77 10 - 5.0-6.7 QD1 LEU 109 - HA LEU 15 far 5 100 5 - 4.9-13.8 QD1 LEU 17 - HA LEU 15 far 0 100 0 - 5.6-6.6 QD2 LEU 17 - HA LEU 15 far 0 100 0 - 5.8-6.4 QG2 ILE 23 - HA LEU 15 far 0 61 0 - 6.3-6.7 QD1 LEU 12 - HA LEU 15 far 0 100 0 - 8.2-8.7 QG2 VAL 102 - HA LEU 15 far 0 100 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 369 from cnoeabs.peaks (0.12, 4.96, 52.71 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 15 + HA LEU 15 OK 100 100 100 100 3.6-3.8 4.0=100 QB ALA 22 - HA LEU 15 far 0 99 0 - 4.9-5.1 Violated in 0 structures by 0.00 A. Peak 370 from cnoeabs.peaks (0.44, 4.96, 52.71 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 15 + HA LEU 15 OK 100 100 100 100 2.7-3.1 405=100, 404/3.0=43...(8) Violated in 0 structures by 0.00 A. Peak 371 from cnoeabs.peaks (9.17, 4.96, 52.71 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 16 + HA LEU 15 OK 100 100 100 100 2.1-2.2 3.6=100 HE1 TRP 80 - HA LEU 15 far 0 81 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 373 from cnoeabs.peaks (4.96, 0.96, 41.65 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 15 + HB2 LEU 15 OK 100 100 100 100 2.6-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 374 from cnoeabs.peaks (0.96, 0.96, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 15 + HB2 LEU 15 OK 100 100 - 100 Peak 375 from cnoeabs.peaks (1.23, 0.96, 41.65 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 15 + HB2 LEU 15 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 23 - HB2 LEU 15 far 0 100 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 376 from cnoeabs.peaks (0.84, 0.96, 41.65 ppm; 4.00 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 15 + HB2 LEU 15 OK 100 100 100 100 2.5-2.6 3.0=100 QD1 LEU 17 - HB2 LEU 15 far 5 100 5 - 4.6-5.8 QD1 LEU 109 - HB2 LEU 15 far 0 100 0 - 4.6-14.6 QG2 ILE 23 - HB2 LEU 15 far 0 61 0 - 5.5-6.1 QG1 VAL 103 - HB2 LEU 15 far 0 77 0 - 5.8-7.7 QD2 LEU 17 - HB2 LEU 15 far 0 100 0 - 5.9-6.2 QD1 LEU 12 - HB2 LEU 15 far 0 100 0 - 7.7-8.3 QG2 VAL 25 - HB2 LEU 15 far 0 100 0 - 9.3-9.8 QG2 VAL 102 - HB2 LEU 15 far 0 100 0 - 9.4-9.6 QD1 LEU 51 - HB2 LEU 15 far 0 96 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 377 from cnoeabs.peaks (0.12, 0.96, 41.65 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 15 + HB2 LEU 15 OK 100 100 100 100 2.0-2.2 3.1=100 QB ALA 22 + HB2 LEU 15 OK 99 99 100 100 2.7-3.4 8127=95, 8128/1.8=88...(13) Violated in 0 structures by 0.00 A. Peak 378 from cnoeabs.peaks (0.44, 0.96, 41.65 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 15 + HB2 LEU 15 OK 100 100 100 100 3.2-3.2 3.1=100 QD2 LEU 51 - HB2 LEU 15 far 0 65 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 380 from cnoeabs.peaks (8.89, 1.23, 41.65 ppm; 5.28 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 15 + HB3 LEU 15 OK 100 100 100 100 2.7-2.9 4.0=100 H SER 105 - HB3 LEU 15 far 0 79 0 - 6.1-6.7 H ALA 24 - HB3 LEU 15 far 0 82 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 381 from cnoeabs.peaks (4.96, 1.23, 41.65 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 15 + HB3 LEU 15 OK 100 100 100 100 3.0-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 382 from cnoeabs.peaks (0.96, 1.23, 41.65 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 15 + HB3 LEU 15 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 14 + HB3 LEU 15 OK 45 99 60 75 4.2-4.5 363/4.0=43, 366/2.9=25...(9) QG1 VAL 76 - HB3 LEU 15 far 0 96 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 383 from cnoeabs.peaks (1.23, 1.23, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 15 + HB3 LEU 15 OK 100 100 - 100 Peak 384 from cnoeabs.peaks (0.84, 1.23, 41.65 ppm; 3.63 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 15 + HB3 LEU 15 OK 100 100 100 100 3.0-3.0 3.0=100 QD1 LEU 17 + HB3 LEU 15 OK 88 100 90 98 3.3-4.5 8126/8128=55, 391=37...(18) QD2 LEU 17 - HB3 LEU 15 far 0 100 0 - 4.6-5.0 QD1 LEU 109 - HB3 LEU 15 far 0 100 0 - 4.7-15.7 QG2 ILE 23 - HB3 LEU 15 far 0 61 0 - 5.4-5.8 QG1 VAL 103 - HB3 LEU 15 far 0 77 0 - 7.0-8.8 QD1 LEU 12 - HB3 LEU 15 far 0 100 0 - 8.3-8.8 QG2 VAL 102 - HB3 LEU 15 far 0 100 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 385 from cnoeabs.peaks (0.12, 1.23, 41.65 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 15 + HB3 LEU 15 OK 100 100 100 100 2.4-2.6 3.1=100 QB ALA 22 + HB3 LEU 15 OK 99 99 100 100 2.3-2.5 8128=99, 8127/1.8=76...(11) Violated in 0 structures by 0.00 A. Peak 386 from cnoeabs.peaks (0.44, 1.23, 41.65 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 15 + HB3 LEU 15 OK 100 100 100 100 2.1-2.3 3.1=100 QD2 LEU 51 - HB3 LEU 15 far 0 65 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 389 from cnoeabs.peaks (4.96, 0.84, 25.81 ppm; 5.67 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 15 + HG LEU 15 OK 100 100 100 100 2.3-2.4 4.3=100 HA LEU 15 + QD1 LEU 17 OK 43 100 45 97 5.6-6.6 ~11249=54, ~10285=49...(7) Violated in 0 structures by 0.00 A. Peak 390 from cnoeabs.peaks (0.96, 0.84, 25.81 ppm; 3.09 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 15 + HG LEU 15 OK 100 100 100 100 2.5-2.6 3.0=100 HB2 LEU 15 - QD1 LEU 17 far 0 100 0 - 4.6-5.8 QG1 VAL 14 - HG LEU 15 far 0 99 0 - 5.4-5.6 QG1 VAL 14 - QD1 LEU 17 far 0 99 0 - 6.0-6.5 QG1 VAL 76 - QD1 LEU 17 far 0 95 0 - 7.4-8.1 QG1 VAL 76 - HG LEU 15 far 0 96 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 391 from cnoeabs.peaks (1.23, 0.84, 25.81 ppm; 4.01 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 15 + HG LEU 15 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 15 + QD1 LEU 17 OK 99 100 100 99 3.3-4.5 8128/8126=65, 384=47...(18) HD2 LYS 84 - QD1 LEU 17 far 0 86 0 - 7.7-10.6 HG13 ILE 23 - QD1 LEU 17 far 0 100 0 - 7.8-8.4 HG2 LYS 84 - QD1 LEU 17 far 0 92 0 - 9.0-11.4 HG13 ILE 23 - HG LEU 15 far 0 100 0 - 9.9-10.5 HB2 LEU 83 - QD1 LEU 17 far 0 97 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 392 from cnoeabs.peaks (0.84, 0.84, 25.81 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 15 + HG LEU 15 OK 100 100 - 100 QD1 LEU 17 + QD1 LEU 17 OK 99 99 - 100 Peak 393 from cnoeabs.peaks (0.12, 0.84, 25.81 ppm; 3.22 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 15 + HG LEU 15 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 22 + QD1 LEU 17 OK 97 99 100 98 2.9-3.2 8126=89, 10310/10309=24...(12) QD1 LEU 15 + QD1 LEU 17 OK 67 100 70 96 3.0-4.4 10210/2.1=47, 2.1/394=29...(19) QB ALA 22 - HG LEU 15 far 0 99 0 - 4.4-5.0 Violated in 0 structures by 0.00 A. Peak 394 from cnoeabs.peaks (0.44, 0.84, 25.81 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 15 + HG LEU 15 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 15 + QD1 LEU 17 OK 97 100 100 98 2.7-3.7 11251/2.1=44...(18) Violated in 0 structures by 0.00 A. Peak 396 from cnoeabs.peaks (8.89, 0.12, 23.78 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 15 + QD1 LEU 15 OK 100 100 100 100 4.2-4.4 4.8=100 H SER 105 - QD1 LEU 15 far 4 79 5 - 5.3-6.0 H ALA 24 - QD1 LEU 15 far 0 82 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 397 from cnoeabs.peaks (4.96, 0.12, 23.78 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 15 + QD1 LEU 15 OK 100 100 100 100 3.6-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 398 from cnoeabs.peaks (0.96, 0.12, 23.78 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 15 + QD1 LEU 15 OK 100 100 100 100 2.0-2.2 3.1=100 QG1 VAL 14 - QD1 LEU 15 far 0 99 0 - 5.4-5.7 QG1 VAL 76 - QD1 LEU 15 far 0 96 0 - 7.6-7.9 QG1 VAL 25 - QD1 LEU 15 far 0 94 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 399 from cnoeabs.peaks (1.23, 0.12, 23.78 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 15 + QD1 LEU 15 OK 100 100 100 100 2.4-2.6 3.1=100 HG13 ILE 23 - QD1 LEU 15 far 0 100 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 400 from cnoeabs.peaks (0.84, 0.12, 23.78 ppm; 2.99 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 15 + QD1 LEU 15 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 17 + QD1 LEU 15 OK 28 100 30 93 3.0-4.4 2.1/10210=40, 394/2.1=25...(19) QD1 LEU 109 - QD1 LEU 15 far 5 100 5 - 2.0-12.2 QD2 LEU 17 - QD1 LEU 15 far 0 100 0 - 3.8-3.8 QG2 ILE 23 - QD1 LEU 15 far 0 61 0 - 6.2-6.7 QG1 VAL 103 - QD1 LEU 15 far 0 77 0 - 6.2-7.6 QD1 LEU 12 - QD1 LEU 15 far 0 100 0 - 8.1-8.6 QG2 VAL 25 - QD1 LEU 15 far 0 100 0 - 9.2-9.7 QD1 LEU 51 - QD1 LEU 15 far 0 96 0 - 9.3-10.0 QG2 VAL 102 - QD1 LEU 15 far 0 100 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 401 from cnoeabs.peaks (0.12, 0.12, 23.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 15 + QD1 LEU 15 OK 100 100 - 100 Peak 402 from cnoeabs.peaks (0.44, 0.12, 23.78 ppm; 2.84 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 15 + QD1 LEU 15 OK 100 100 100 100 1.9-1.9 2.1=100 QD2 LEU 51 - QD1 LEU 15 far 0 65 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 404 from cnoeabs.peaks (8.89, 0.44, 23.32 ppm; 4.40 A increased from 4.14 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 15 + QD2 LEU 15 OK 100 100 100 100 4.2-4.3 3.0/405=79, 4.8=78...(9) H SER 105 - QD2 LEU 15 far 12 79 15 - 4.8-5.2 H TRP 80 - HG3 LYS 98 far 0 36 0 - 7.0-10.4 H ALA 24 - QD2 LEU 15 far 0 82 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 405 from cnoeabs.peaks (4.96, 0.44, 23.32 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 15 + QD2 LEU 15 OK 98 100 100 98 2.7-3.1 370=91, 3.0/404=40...(8) Violated in 0 structures by 0.00 A. Peak 406 from cnoeabs.peaks (0.96, 0.44, 23.32 ppm; 3.29 A increased from 3.10 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 15 + QD2 LEU 15 OK 100 100 100 100 3.2-3.2 3.1=100 QG1 VAL 14 - QD2 LEU 15 far 0 99 0 - 4.6-4.8 QG1 VAL 76 - HG3 LYS 98 far 0 33 0 - 5.9-8.9 QG1 VAL 76 - QD2 LEU 15 far 0 96 0 - 6.8-7.1 QG1 VAL 14 - HG3 LYS 98 far 0 36 0 - 7.5-10.4 QG2 THR 74 - HG3 LYS 98 far 0 37 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 407 from cnoeabs.peaks (1.23, 0.44, 23.32 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 15 + QD2 LEU 15 OK 100 100 100 100 2.1-2.3 3.1=100 HG13 ILE 23 - QD2 LEU 15 far 0 100 0 - 8.7-8.9 HD2 LYS 84 - QD2 LEU 15 far 0 87 0 - 9.4-13.5 HG2 LYS 88 - HG3 LYS 98 far 0 26 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 408 from cnoeabs.peaks (0.84, 0.44, 23.32 ppm; 2.75 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 15 + QD2 LEU 15 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 17 + QD2 LEU 15 OK 80 100 100 80 2.4-2.9 10210/2.1=32...(14) QD1 LEU 17 + QD2 LEU 15 OK 30 100 35 86 2.7-3.7 8126/8125=25, 394=25...(15) HD2 LYS 98 + HG3 LYS 98 OK 25 27 100 92 2.3-3.0 3.0=81, 2692/8099=17...(11) QD1 LEU 109 - QD2 LEU 15 far 5 100 5 - 2.3-12.6 QG2 VAL 102 - HG3 LYS 98 far 0 38 0 - 5.3-8.0 QG2 ILE 23 - QD2 LEU 15 far 0 61 0 - 6.4-6.7 QG1 VAL 103 - QD2 LEU 15 far 0 77 0 - 6.6-7.8 QD1 LEU 12 - QD2 LEU 15 far 0 100 0 - 8.7-9.1 QG2 VAL 102 - QD2 LEU 15 far 0 100 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 409 from cnoeabs.peaks (0.12, 0.44, 23.32 ppm; 2.65 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 15 + QD2 LEU 15 OK 100 100 100 100 1.9-1.9 2.1=100 QB ALA 22 - QD2 LEU 15 far 0 99 0 - 3.5-3.8 Violated in 0 structures by 0.00 A. Peak 410 from cnoeabs.peaks (0.44, 0.44, 23.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 15 + QD2 LEU 15 OK 100 100 - 100 HG3 LYS 98 + HG3 LYS 98 OK 21 21 - 100 Peak 411 from cnoeabs.peaks (9.17, 0.44, 23.32 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.99: * H TRP 16 + QD2 LEU 15 OK 99 100 100 99 2.8-3.2 4.9=71, 3.6/405=69...(8) HE1 TRP 80 - QD2 LEU 15 far 0 81 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 412 from cnoeabs.peaks (9.17, 4.71, 56.06 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 16 + HA TRP 16 OK 100 100 100 100 2.9-2.9 2.9=100 HE1 TRP 80 - HA TRP 16 far 0 81 0 - 4.7-5.7 Violated in 0 structures by 0.00 A. Peak 413 from cnoeabs.peaks (4.71, 4.71, 56.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA TRP 16 + HA TRP 16 OK 100 100 - 100 HA HIS 7 + HA HIS 7 OK 55 55 - 100 Peak 414 from cnoeabs.peaks (3.13, 4.71, 56.06 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TRP 16 + HA TRP 16 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 HIS 7 + HA HIS 7 OK 49 49 100 100 2.4-3.0 3.0=100 HB3 TRP 42 - HA TRP 16 far 0 71 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 415 from cnoeabs.peaks (3.78, 4.71, 56.06 ppm; 5.60 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TRP 16 + HA TRP 16 OK 100 100 100 100 2.6-2.7 3.0=100 HA TRP 80 - HA TRP 16 far 0 100 0 - 6.7-7.3 HB2 SER 105 - HA TRP 16 far 0 71 0 - 7.1-9.7 HB3 SER 105 - HA TRP 16 far 0 70 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 421 from cnoeabs.peaks (6.92, 4.71, 56.06 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 17 + HA TRP 16 OK 100 100 100 100 2.2-2.2 3.6=100 HD2 HIS 7 + HA HIS 7 OK 35 45 90 87 2.2-4.8 4.6=69, 4.0/73=34...(4) HD22 ASN 108 - HA TRP 16 far 0 71 0 - 8.1-20.0 QD PHE 41 - HA TRP 16 far 0 91 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 422 from cnoeabs.peaks (9.17, 3.13, 29.83 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 16 + HB2 TRP 16 OK 100 100 100 100 2.8-3.0 4.0=100 HE1 TRP 80 - HB2 TRP 16 far 0 81 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 423 from cnoeabs.peaks (4.71, 3.13, 29.83 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: * HA TRP 16 + HB2 TRP 16 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASN 108 - HB2 TRP 16 far 0 91 0 - 7.5-16.0 HA ILE 90 - HB2 TRP 16 far 0 79 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 424 from cnoeabs.peaks (3.13, 3.13, 29.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 16 + HB2 TRP 16 OK 100 100 - 100 Peak 425 from cnoeabs.peaks (3.78, 3.13, 29.83 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TRP 16 + HB2 TRP 16 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 105 - HB2 TRP 16 far 0 71 0 - 5.7-9.0 HB3 SER 105 - HB2 TRP 16 far 0 70 0 - 6.3-7.9 HA TRP 80 - HB2 TRP 16 far 0 100 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 426 from cnoeabs.peaks (7.16, 3.13, 29.83 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HD1 TRP 16 + HB2 TRP 16 OK 100 100 100 100 2.5-2.6 3.9=100 QD PHE 104 + HB2 TRP 16 OK 40 95 45 94 4.6-5.1 ~8838=45, 436/1.8=37...(10) Violated in 0 structures by 0.00 A. Peak 427 from cnoeabs.peaks (7.68, 3.13, 29.83 ppm; 6.00 A): 1 out of 4 assignments used, quality = 1.00: * HE3 TRP 16 + HB2 TRP 16 OK 100 100 100 100 4.1-4.2 4.2=100 H GLU 94 - HB2 TRP 16 far 0 70 0 - 7.7-9.1 HD21 ASN 108 - HB2 TRP 16 far 0 59 0 - 8.0-18.3 QD PHE 79 - HB2 TRP 16 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 432 from cnoeabs.peaks (9.17, 3.78, 29.83 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 16 + HB3 TRP 16 OK 100 100 100 100 2.2-2.3 4.0=100 HE1 TRP 80 - HB3 TRP 16 far 0 81 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 433 from cnoeabs.peaks (4.71, 3.78, 29.83 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * HA TRP 16 + HB3 TRP 16 OK 100 100 100 100 2.6-2.7 3.0=100 HA ASN 108 - HB3 TRP 16 far 0 91 0 - 9.0-15.3 HA ILE 90 - HB3 TRP 16 far 0 79 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 434 from cnoeabs.peaks (3.13, 3.78, 29.83 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 16 + HB3 TRP 16 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 99 - HB3 TRP 16 far 0 95 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 435 from cnoeabs.peaks (3.78, 3.78, 29.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 16 + HB3 TRP 16 OK 100 100 - 100 Peak 436 from cnoeabs.peaks (7.16, 3.78, 29.83 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * HD1 TRP 16 + HB3 TRP 16 OK 100 100 100 100 3.5-3.8 3.9=100 QD PHE 104 + HB3 TRP 16 OK 89 95 100 94 2.9-3.5 2.2/8838=60...(9) Violated in 0 structures by 0.00 A. Peak 437 from cnoeabs.peaks (7.68, 3.78, 29.83 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: * HE3 TRP 16 + HB3 TRP 16 OK 100 100 100 100 2.6-3.2 4.2=100 H GLU 94 - HB3 TRP 16 far 0 70 0 - 7.3-8.8 QD PHE 79 - HB3 TRP 16 far 0 100 0 - 7.9-8.9 HD21 ASN 108 - HB3 TRP 16 far 0 59 0 - 8.6-18.0 Violated in 0 structures by 0.00 A. Peak 442 from cnoeabs.peaks (6.92, 5.05, 52.91 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 17 + HA LEU 17 OK 100 100 100 100 2.9-2.9 3.0=100 HD22 ASN 108 - HA LEU 17 far 0 71 0 - 6.7-19.9 QD PHE 41 - HA LEU 17 far 0 91 0 - 7.4-8.3 HE22 GLN 19 - HA LEU 17 far 0 97 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 443 from cnoeabs.peaks (5.05, 5.05, 52.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 17 + HA LEU 17 OK 100 100 - 100 HA GLN 27 + HA GLN 27 OK 41 41 - 100 Peak 444 from cnoeabs.peaks (1.86, 5.05, 52.91 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 17 + HA LEU 17 OK 100 100 100 100 2.6-2.8 3.0=100 HB3 GLU 110 - HA LEU 17 far 0 77 0 - 7.8-21.8 HB2 GLN 89 - HA LEU 17 far 0 100 0 - 8.2-12.6 HB3 LEU 12 - HA GLN 27 far 0 56 0 - 9.4-9.7 HB2 GLU 110 - HA LEU 17 far 0 73 0 - 9.6-22.8 Violated in 0 structures by 0.00 A. Peak 445 from cnoeabs.peaks (2.36, 5.05, 52.91 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 17 + HA LEU 17 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ASP 26 + HA GLN 27 OK 28 29 100 96 4.3-4.7 6324/2.9=55, ~6322=43...(8) HG3 GLN 19 - HA LEU 17 far 0 75 0 - 8.0-9.3 HB2 PHE 41 - HA LEU 17 far 0 91 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 446 from cnoeabs.peaks (1.38, 5.05, 52.91 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 17 + HA LEU 17 OK 100 100 100 100 2.7-2.9 2.1/447=88, 467=85...(12) HG13 ILE 11 - HA GLN 27 poor 5 27 20 - 3.8-5.7 HD3 LYS 58 - HA GLN 27 far 0 45 0 - 7.6-8.8 HD3 LYS 84 - HA LEU 17 far 0 98 0 - 9.3-13.1 QB ALA 64 - HA GLN 27 far 0 54 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 447 from cnoeabs.peaks (0.84, 5.05, 52.91 ppm; 3.11 A): 1 out of 12 assignments used, quality = 0.99: QD2 LEU 17 + HA LEU 17 OK 99 100 100 99 1.9-2.0 483=86, 2.1/475=43...(16) ! QD1 LEU 17 - HA LEU 17 far 0 100 0 - 3.8-3.8 QD1 LEU 109 - HA LEU 17 far 0 100 0 - 4.9-17.8 HG LEU 15 - HA LEU 17 far 0 100 0 - 5.7-6.7 QG2 VAL 25 - HA GLN 27 far 0 53 0 - 6.0-6.3 QG2 ILE 11 - HA GLN 27 far 0 51 0 - 6.1-6.3 QD1 LEU 51 - HA GLN 27 far 0 46 0 - 7.2-7.4 QG2 VAL 6 - HA GLN 27 far 0 56 0 - 7.5-8.1 QG1 VAL 6 - HA GLN 27 far 0 55 0 - 8.2-10.2 QG1 VAL 103 - HA GLN 27 far 0 31 0 - 8.3-9.7 QD1 LEU 12 - HA GLN 27 far 0 54 0 - 8.6-8.9 QG2 ILE 23 - HA LEU 17 far 0 71 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 448 from cnoeabs.peaks (0.84, 5.05, 52.91 ppm; 3.11 A): 1 out of 12 assignments used, quality = 0.99: * QD2 LEU 17 + HA LEU 17 OK 99 100 100 99 1.9-2.0 483=86, 2.1/475=43...(16) QD1 LEU 17 - HA LEU 17 far 0 100 0 - 3.8-3.8 QD1 LEU 109 - HA LEU 17 far 0 100 0 - 4.9-17.8 HG LEU 15 - HA LEU 17 far 0 100 0 - 5.7-6.7 QG2 VAL 25 - HA GLN 27 far 0 56 0 - 6.0-6.3 QG2 ILE 11 - HA GLN 27 far 0 54 0 - 6.1-6.3 QD1 LEU 51 - HA GLN 27 far 0 51 0 - 7.2-7.4 QG2 VAL 6 - HA GLN 27 far 0 55 0 - 7.5-8.1 QG1 VAL 6 - HA GLN 27 far 0 56 0 - 8.2-10.2 QG1 VAL 103 - HA GLN 27 far 0 39 0 - 8.3-9.7 QD1 LEU 12 - HA GLN 27 far 0 56 0 - 8.6-8.9 QG2 ILE 23 - HA LEU 17 far 0 57 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 449 from cnoeabs.peaks (8.40, 5.05, 52.91 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 18 + HA LEU 17 OK 100 100 100 100 2.7-2.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 451 from cnoeabs.peaks (5.05, 1.86, 42.84 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 17 + HB2 LEU 17 OK 100 100 100 100 2.6-2.8 3.0=100 HA GLN 27 - HB3 LEU 12 far 0 68 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 452 from cnoeabs.peaks (1.86, 1.86, 42.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 17 + HB2 LEU 17 OK 100 100 - 100 HB3 LEU 12 + HB3 LEU 12 OK 88 88 - 100 Peak 453 from cnoeabs.peaks (2.36, 1.86, 42.84 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 17 + HB2 LEU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 101 - HB3 LEU 12 far 0 87 0 - 5.1-5.9 HG3 GLN 19 - HB2 LEU 17 far 0 75 0 - 6.2-7.5 HB2 PHE 41 - HB2 LEU 17 far 0 91 0 - 7.5-9.8 HG2 GLU 75 - HB3 LEU 12 far 0 85 0 - 8.3-9.6 HB3 ASP 26 - HB3 LEU 12 far 0 50 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 454 from cnoeabs.peaks (1.38, 1.86, 42.84 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 17 + HB2 LEU 17 OK 100 100 100 100 3.0-3.0 3.0=100 HG13 ILE 11 - HB3 LEU 12 far 0 47 0 - 7.1-7.2 HD3 LYS 84 - HB2 LEU 17 far 0 98 0 - 7.5-11.0 HG3 LYS 84 - HB2 LEU 17 far 0 99 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 455 from cnoeabs.peaks (0.84, 1.86, 42.84 ppm; 3.00 A): 4 out of 13 assignments used, quality = 1.00: * QD1 LEU 17 + HB2 LEU 17 OK 98 100 100 98 2.3-2.5 3.1=88, 475/3.0=33...(10) QD2 LEU 17 + HB2 LEU 17 OK 98 100 100 98 2.4-2.4 3.1=88, 447/3.0=45...(10) QD1 LEU 12 + HB3 LEU 12 OK 84 86 100 98 3.0-3.1 3.1=90, 227/1.8=39...(14) QG2 VAL 102 + HB3 LEU 12 OK 68 88 85 91 3.3-3.6 10212/3.1=44...(18) QG2 VAL 25 - HB3 LEU 12 far 0 85 0 - 3.8-4.0 QG2 ILE 11 - HB3 LEU 12 far 0 82 0 - 3.8-3.9 QG1 VAL 103 - HB3 LEU 12 far 0 54 0 - 4.6-6.6 QD1 LEU 51 - HB3 LEU 12 far 0 75 0 - 6.3-6.6 QD1 LEU 109 - HB2 LEU 17 far 0 100 0 - 6.4-19.7 QG2 ILE 23 - HB3 LEU 12 far 0 57 0 - 6.5-6.8 HG LEU 15 - HB2 LEU 17 far 0 100 0 - 7.5-8.0 QG2 ILE 23 - HB2 LEU 17 far 0 71 0 - 8.4-8.7 HB2 LYS 84 - HB2 LEU 17 far 0 100 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 456 from cnoeabs.peaks (0.84, 1.86, 42.84 ppm; 3.00 A): 4 out of 13 assignments used, quality = 1.00: * QD2 LEU 17 + HB2 LEU 17 OK 98 100 100 98 2.4-2.4 3.1=88, 448/3.0=45...(10) QD1 LEU 17 + HB2 LEU 17 OK 98 100 100 98 2.3-2.5 3.1=88, 475/3.0=33...(10) QD1 LEU 12 + HB3 LEU 12 OK 86 88 100 98 3.0-3.1 3.1=90, 227/1.8=40...(14) QG2 VAL 102 + HB3 LEU 12 OK 68 88 85 91 3.3-3.6 10212/3.1=44...(18) QG2 VAL 25 - HB3 LEU 12 far 0 88 0 - 3.8-4.0 QG2 ILE 11 - HB3 LEU 12 far 0 87 0 - 3.8-3.9 QG1 VAL 103 - HB3 LEU 12 far 0 65 0 - 4.6-6.6 QD1 LEU 51 - HB3 LEU 12 far 0 83 0 - 6.3-6.6 QD1 LEU 109 - HB2 LEU 17 far 0 100 0 - 6.4-19.7 QG2 ILE 23 - HB3 LEU 12 far 0 45 0 - 6.5-6.8 HG LEU 15 - HB2 LEU 17 far 0 100 0 - 7.5-8.0 QG2 ILE 23 - HB2 LEU 17 far 0 57 0 - 8.4-8.7 HB2 LYS 84 - HB2 LEU 17 far 0 100 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 457 from cnoeabs.peaks (8.40, 1.86, 42.84 ppm; 4.66 A): 3 out of 3 assignments used, quality = 1.00: * H ASP 18 + HB2 LEU 17 OK 100 100 100 100 1.9-1.9 4.6=100 H ALA 73 + HB3 LEU 12 OK 77 77 100 100 4.9-5.1 8488/3.1=77, 8487/3.1=75...(19) H VAL 103 + HB3 LEU 12 OK 61 67 100 92 3.7-4.5 3.5/11265=47, 7288=38...(8) Violated in 0 structures by 0.00 A. Peak 459 from cnoeabs.peaks (5.05, 2.36, 42.84 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 17 + HB3 LEU 17 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 460 from cnoeabs.peaks (1.86, 2.36, 42.84 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 17 + HB3 LEU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 110 - HB3 LEU 17 far 0 77 0 - 8.0-22.1 HB3 ARG 44 - HB3 LEU 17 far 0 84 0 - 8.5-11.5 HB2 GLU 110 - HB3 LEU 17 far 0 73 0 - 9.6-23.3 HB2 GLN 89 - HB3 LEU 17 far 0 100 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 461 from cnoeabs.peaks (2.36, 2.36, 42.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 17 + HB3 LEU 17 OK 100 100 - 100 Peak 462 from cnoeabs.peaks (1.38, 2.36, 42.84 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 17 + HB3 LEU 17 OK 100 100 100 100 2.4-2.5 3.0=100 HD3 LYS 84 - HB3 LEU 17 far 0 98 0 - 7.6-11.5 HG3 LYS 84 - HB3 LEU 17 far 0 99 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 463 from cnoeabs.peaks (0.84, 2.36, 42.84 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 17 + HB3 LEU 17 OK 100 100 100 100 2.2-2.4 3.1=100 QD2 LEU 17 + HB3 LEU 17 OK 100 100 100 100 3.2-3.2 3.1=100 HG LEU 15 - HB3 LEU 17 far 0 100 0 - 6.3-6.8 QD1 LEU 109 - HB3 LEU 17 far 0 100 0 - 6.5-18.8 QG2 ILE 23 - HB3 LEU 17 far 0 71 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 464 from cnoeabs.peaks (0.84, 2.36, 42.84 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 17 + HB3 LEU 17 OK 100 100 100 100 3.2-3.2 3.1=100 QD1 LEU 17 + HB3 LEU 17 OK 100 100 100 100 2.2-2.4 3.1=100 HG LEU 15 - HB3 LEU 17 far 0 100 0 - 6.3-6.8 QD1 LEU 109 - HB3 LEU 17 far 0 100 0 - 6.5-18.8 QG2 ILE 23 - HB3 LEU 17 far 0 57 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 465 from cnoeabs.peaks (8.40, 2.36, 42.84 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 18 + HB3 LEU 17 OK 100 100 100 100 3.4-3.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 466 from cnoeabs.peaks (6.92, 1.38, 26.78 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 17 + HG LEU 17 OK 100 100 100 100 3.4-3.6 6186=78, 482/2.1=72...(11) QD PHE 41 - HG LEU 17 far 0 91 0 - 5.2-6.5 HD22 ASN 108 - HG LEU 17 far 0 71 0 - 6.6-19.7 HE21 GLN 72 - HG13 ILE 11 far 0 27 0 - 7.3-8.3 HE22 GLN 19 - HG LEU 17 far 0 97 0 - 8.1-10.8 Violated in 0 structures by 0.00 A. Peak 467 from cnoeabs.peaks (5.05, 1.38, 26.78 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 17 + HG LEU 17 OK 100 100 100 100 2.7-2.9 446=100, 448/2.1=93...(12) HA GLN 27 - HG13 ILE 11 poor 7 35 20 - 3.8-5.7 HA PRO 35 - HG13 ILE 11 far 0 48 0 - 6.8-8.8 HA PHE 40 - HG LEU 17 far 0 85 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 468 from cnoeabs.peaks (1.86, 1.38, 26.78 ppm; 4.36 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 17 + HG LEU 17 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 110 - HG LEU 17 far 0 77 0 - 5.7-20.5 HB VAL 103 - HG13 ILE 11 far 0 46 0 - 6.4-8.3 HB3 LEU 12 - HG13 ILE 11 far 0 49 0 - 7.1-7.2 HB2 GLU 110 - HG LEU 17 far 0 73 0 - 7.4-21.5 HB3 ARG 44 - HG LEU 17 far 0 84 0 - 8.8-12.4 Violated in 0 structures by 0.00 A. Peak 469 from cnoeabs.peaks (2.36, 1.38, 26.78 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 17 + HG LEU 17 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 ASP 26 - HG13 ILE 11 poor 12 25 50 - 2.8-4.7 HB2 PHE 41 - HG LEU 17 far 0 91 0 - 6.9-9.4 HB2 GLU 101 - HG13 ILE 11 far 0 47 0 - 8.0-9.6 HG3 GLN 19 - HG LEU 17 far 0 75 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 470 from cnoeabs.peaks (1.38, 1.38, 26.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 17 + HG LEU 17 OK 100 100 - 100 HG13 ILE 11 + HG13 ILE 11 OK 23 23 - 100 Peak 471 from cnoeabs.peaks (0.84, 1.38, 26.78 ppm; 2.91 A): 3 out of 13 assignments used, quality = 1.00: * QD1 LEU 17 + HG LEU 17 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 17 + HG LEU 17 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 11 + HG13 ILE 11 OK 44 44 100 100 2.0-3.2 3.2=77, 167/2.1=64...(18) HG LEU 15 - HG LEU 17 far 0 100 0 - 4.5-5.2 QD1 LEU 109 - HG LEU 17 far 0 100 0 - 4.6-17.5 QG1 VAL 103 - HG13 ILE 11 far 0 27 0 - 5.6-7.3 QG2 VAL 25 - HG13 ILE 11 far 0 46 0 - 5.7-7.1 QD1 LEU 12 - HG13 ILE 11 far 0 47 0 - 7.6-8.3 QG2 ILE 23 - HG LEU 17 far 0 71 0 - 7.6-7.9 QD1 LEU 51 - HG13 ILE 11 far 0 40 0 - 7.9-9.4 QG2 VAL 102 - HG13 ILE 11 far 0 49 0 - 8.6-9.2 QD1 LEU 109 - HG13 ILE 11 far 0 48 0 - 9.5-21.4 QG1 VAL 103 - HG LEU 17 far 0 68 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 472 from cnoeabs.peaks (0.84, 1.38, 26.78 ppm; 2.91 A): 3 out of 13 assignments used, quality = 1.00: * QD2 LEU 17 + HG LEU 17 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 17 + HG LEU 17 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 11 + HG13 ILE 11 OK 47 47 100 100 2.0-3.2 3.2=77, 167/2.1=66...(18) HG LEU 15 - HG LEU 17 far 0 100 0 - 4.5-5.2 QD1 LEU 109 - HG LEU 17 far 0 100 0 - 4.6-17.5 QG1 VAL 103 - HG13 ILE 11 far 0 33 0 - 5.6-7.3 QG2 VAL 25 - HG13 ILE 11 far 0 49 0 - 5.7-7.1 QD1 LEU 12 - HG13 ILE 11 far 0 49 0 - 7.6-8.3 QG2 ILE 23 - HG LEU 17 far 0 57 0 - 7.6-7.9 QD1 LEU 51 - HG13 ILE 11 far 0 45 0 - 7.9-9.4 QG2 VAL 102 - HG13 ILE 11 far 0 49 0 - 8.6-9.2 QD1 LEU 109 - HG13 ILE 11 far 0 49 0 - 9.5-21.4 QG1 VAL 103 - HG LEU 17 far 0 81 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 473 from cnoeabs.peaks (8.40, 1.38, 26.78 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 18 + HG LEU 17 OK 100 100 100 100 4.1-4.4 3.6/446=86, 4.6/466=69...(7) H VAL 103 - HG13 ILE 11 far 0 34 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 474 from cnoeabs.peaks (6.92, 0.84, 25.77 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.99: * H LEU 17 + QD1 LEU 17 OK 95 100 95 99 4.0-4.3 482/2.1=53, 466/2.1=52...(14) QD PHE 41 + QD1 LEU 17 OK 89 91 100 98 2.7-3.8 2.2/11146=54...(14) HD22 ASN 108 - HG LEU 15 far 4 70 5 - 2.6-15.1 HE22 GLN 19 - QD1 LEU 17 far 0 97 0 - 5.6-8.6 H LEU 17 - HG LEU 15 far 0 100 0 - 5.9-6.4 HD22 ASN 108 - QD1 LEU 17 far 0 71 0 - 6.8-18.4 QD PHE 41 - HG LEU 15 far 0 90 0 - 7.8-8.4 Violated in 1 structures by 0.00 A. Peak 475 from cnoeabs.peaks (5.05, 0.84, 25.77 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 17 + QD1 LEU 17 OK 100 100 100 100 3.8-3.8 4.0=97, 447/2.1=89...(14) HA LEU 17 - HG LEU 15 far 0 100 0 - 5.7-6.7 HA PHE 40 - QD1 LEU 17 far 0 85 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 476 from cnoeabs.peaks (1.86, 0.84, 25.77 ppm; 3.61 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 17 + QD1 LEU 17 OK 100 100 100 100 2.3-2.5 3.1=100 HB3 GLU 110 - QD1 LEU 17 far 0 77 0 - 4.8-18.3 HB3 GLU 110 - HG LEU 15 far 0 76 0 - 5.2-15.9 HB3 ARG 44 - QD1 LEU 17 far 0 84 0 - 5.5-8.5 HB2 GLU 110 - QD1 LEU 17 far 0 73 0 - 6.2-19.1 HB2 GLU 110 - HG LEU 15 far 0 72 0 - 6.5-17.0 HB2 LEU 17 - HG LEU 15 far 0 100 0 - 7.5-8.0 HB VAL 103 - HG LEU 15 far 0 98 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 477 from cnoeabs.peaks (2.36, 0.84, 25.77 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 17 + QD1 LEU 17 OK 100 100 100 100 2.2-2.4 3.1=100 HB2 PHE 41 - QD1 LEU 17 far 0 91 0 - 4.2-6.3 HG3 GLN 19 - QD1 LEU 17 far 0 75 0 - 5.8-7.6 HB3 LEU 17 - HG LEU 15 far 0 100 0 - 6.3-6.8 HB2 GLN 81 - QD1 LEU 17 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 478 from cnoeabs.peaks (1.38, 0.84, 25.77 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 17 + QD1 LEU 17 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 17 - HG LEU 15 far 0 100 0 - 4.5-5.2 HD3 LYS 84 - QD1 LEU 17 far 0 98 0 - 7.7-10.5 HG3 LYS 84 - QD1 LEU 17 far 0 99 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 479 from cnoeabs.peaks (0.84, 0.84, 25.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 17 + QD1 LEU 17 OK 100 100 - 100 HG LEU 15 + HG LEU 15 OK 99 99 - 100 Peak 480 from cnoeabs.peaks (0.84, 0.84, 25.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG LEU 15 + HG LEU 15 OK 100 100 - 100 QD1 LEU 17 + QD1 LEU 17 OK 100 100 - 100 Reference assignment not found: QD2 LEU 17 - QD1 LEU 17 Peak 481 from cnoeabs.peaks (8.40, 0.84, 25.77 ppm; 5.20 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 18 + QD1 LEU 17 OK 100 100 100 100 3.4-3.7 4.9=100 H ASP 18 - HG LEU 15 far 0 100 0 - 8.3-8.9 H VAL 103 - HG LEU 15 far 0 81 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 482 from cnoeabs.peaks (6.92, 0.84, 22.53 ppm; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 17 + QD2 LEU 17 OK 100 100 100 100 4.0-4.2 3.0/448=81, 466/2.1=72...(13) QD PHE 41 - QD2 LEU 17 far 9 91 10 - 4.7-6.1 HD22 ASN 108 - QD2 LEU 17 far 4 71 5 - 4.7-17.3 HE21 GLN 72 - QG2 VAL 102 far 3 50 5 - 4.8-5.1 HE22 GLN 19 - QD2 LEU 17 far 0 97 0 - 4.9-7.9 HZ PHE 99 - QG2 VAL 102 far 0 81 0 - 5.2-5.6 Violated in 0 structures by 0.00 A. Peak 483 from cnoeabs.peaks (5.05, 0.84, 22.53 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 17 + QD2 LEU 17 OK 100 100 100 100 1.9-2.0 448=100, 475/2.1=48...(16) HA PHE 40 - QD2 LEU 17 far 0 85 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 484 from cnoeabs.peaks (1.86, 0.84, 22.53 ppm; 3.42 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 17 + QD2 LEU 17 OK 100 100 100 100 2.4-2.4 3.1=100 HB3 LEU 12 + QG2 VAL 102 OK 80 84 100 96 3.3-3.6 3.1/10212=39...(18) HB VAL 76 + QG2 VAL 102 OK 76 79 100 96 3.3-3.8 2.1/10211=50, ~8505=45...(10) HB3 GLU 110 - QD2 LEU 17 far 0 77 0 - 5.2-18.2 HB2 GLU 110 - QD2 LEU 17 far 0 73 0 - 5.9-19.0 HB VAL 103 - QG2 VAL 102 far 0 80 0 - 6.0-7.0 HB3 ARG 44 - QD2 LEU 17 far 0 84 0 - 7.7-10.8 HB3 GLN 96 - QG2 VAL 102 far 0 78 0 - 8.4-8.9 HB2 GLN 89 - QD2 LEU 17 far 0 100 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 485 from cnoeabs.peaks (2.36, 0.84, 22.53 ppm; 3.97 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 17 + QD2 LEU 17 OK 100 100 100 100 3.2-3.2 3.1=100 HB2 GLU 101 + QG2 VAL 102 OK 82 82 100 99 4.1-4.4 10205=70, 3.0/10206=60...(9) HG2 GLU 75 - QG2 VAL 102 far 0 80 0 - 5.1-6.2 HG3 GLN 19 - QD2 LEU 17 far 0 75 0 - 5.7-7.5 HB2 PRO 100 - QG2 VAL 102 far 0 83 0 - 6.5-6.9 HB2 PHE 41 - QD2 LEU 17 far 0 91 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 486 from cnoeabs.peaks (1.38, 0.84, 22.53 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 17 + QD2 LEU 17 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 11 - QG2 VAL 102 far 0 43 0 - 8.6-9.2 HD3 LYS 84 - QD2 LEU 17 far 0 98 0 - 8.6-11.5 HG LEU 83 - QG2 VAL 102 far 0 55 0 - 9.7-10.8 HG3 LYS 84 - QD2 LEU 17 far 0 99 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 487 from cnoeabs.peaks (0.84, 0.84, 22.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 17 + QD2 LEU 17 OK 100 100 - 100 QG2 VAL 102 + QG2 VAL 102 OK 84 84 - 100 Reference assignment not found: QD1 LEU 17 - QD2 LEU 17 Peak 488 from cnoeabs.peaks (0.84, 0.84, 22.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 17 + QD2 LEU 17 OK 100 100 - 100 QG2 VAL 102 + QG2 VAL 102 OK 84 84 - 100 Peak 489 from cnoeabs.peaks (8.40, 0.84, 22.53 ppm; 4.16 A): 3 out of 4 assignments used, quality = 1.00: * H ASP 18 + QD2 LEU 17 OK 99 100 100 99 1.9-2.6 3.6/448=69, 4.9=62...(9) H ALA 73 + QG2 VAL 102 OK 69 72 100 96 4.3-4.6 3.6/9861=48...(10) H VAL 103 + QG2 VAL 102 OK 62 63 100 100 3.9-4.1 4.3=90, 3.5/2875=70...(6) H TRP 48 - QG2 VAL 102 far 0 79 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 490 from cnoeabs.peaks (8.40, 4.55, 56.94 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 18 + HA ASP 18 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 491 from cnoeabs.peaks (4.55, 4.55, 56.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 18 + HA ASP 18 OK 100 100 - 100 HA ASP 65 + HA ASP 65 OK 95 95 - 100 Peak 492 from cnoeabs.peaks (2.75, 4.55, 56.94 ppm; 3.02 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASP 18 + HA ASP 18 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ASP 18 + HA ASP 18 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 108 - HA ASP 18 far 0 73 0 - 9.6-22.7 Violated in 0 structures by 0.00 A. Peak 493 from cnoeabs.peaks (2.74, 4.55, 56.94 ppm; 3.02 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASP 18 + HA ASP 18 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASP 18 + HA ASP 18 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 ASN 108 - HA ASP 18 far 0 68 0 - 9.6-22.7 Violated in 0 structures by 0.00 A. Peak 495 from cnoeabs.peaks (8.40, 2.75, 41.20 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.99: * H ASP 18 + HB2 ASP 18 OK 93 100 100 93 2.2-3.1 3.9=69, 3.0/496=32...(7) H ASP 18 + HB3 ASP 18 OK 89 100 100 89 3.0-3.6 3.9=69, 3.0/496=31...(6) Violated in 0 structures by 0.00 A. Peak 496 from cnoeabs.peaks (4.55, 2.75, 41.20 ppm; 2.91 A increased from 2.74 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 18 + HB2 ASP 18 OK 95 100 100 95 2.3-2.8 3.0=90, 3.0/495=20...(6) HA ASP 18 + HB3 ASP 18 OK 94 100 100 94 2.6-3.0 3.0=90, 3.0/495=19...(6) Violated in 0 structures by 0.00 A. Peak 497 from cnoeabs.peaks (2.75, 2.75, 41.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 18 + HB2 ASP 18 OK 100 100 - 100 HB3 ASP 18 + HB3 ASP 18 OK 100 100 - 100 Peak 498 from cnoeabs.peaks (2.74, 2.75, 41.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 18 + HB3 ASP 18 OK 100 100 - 100 HB2 ASP 18 + HB2 ASP 18 OK 100 100 - 100 Reference assignment not found: HB3 ASP 18 - HB2 ASP 18 Peak 500 from cnoeabs.peaks (8.40, 2.74, 41.20 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.99: H ASP 18 + HB2 ASP 18 OK 93 100 100 93 2.2-3.1 3.9=69, 3.0/501=32...(7) * H ASP 18 + HB3 ASP 18 OK 89 100 100 89 3.0-3.6 3.9=69, 3.0/501=31...(6) Violated in 0 structures by 0.00 A. Peak 501 from cnoeabs.peaks (4.55, 2.74, 41.20 ppm; 2.91 A increased from 2.74 A): 2 out of 2 assignments used, quality = 1.00: HA ASP 18 + HB2 ASP 18 OK 95 100 100 95 2.3-2.8 3.0=90, 3.0/500=20...(6) * HA ASP 18 + HB3 ASP 18 OK 94 100 100 94 2.6-3.0 3.0=90, 3.0/500=19...(6) Violated in 0 structures by 0.00 A. Peak 502 from cnoeabs.peaks (2.75, 2.74, 41.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 18 + HB3 ASP 18 OK 100 100 - 100 HB2 ASP 18 + HB2 ASP 18 OK 100 100 - 100 Reference assignment not found: HB2 ASP 18 - HB3 ASP 18 Peak 503 from cnoeabs.peaks (2.74, 2.74, 41.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 18 + HB3 ASP 18 OK 100 100 - 100 HB2 ASP 18 + HB2 ASP 18 OK 100 100 - 100 Peak 506 from cnoeabs.peaks (4.50, 4.50, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 19 + HA GLN 19 OK 100 100 - 100 Peak 507 from cnoeabs.peaks (2.26, 4.50, 55.95 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 19 + HA GLN 19 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLN 89 - HA GLN 19 far 0 96 0 - 6.2-12.2 HG3 GLN 89 - HA GLN 19 far 0 84 0 - 7.0-12.3 Violated in 0 structures by 0.00 A. Peak 508 from cnoeabs.peaks (1.98, 4.50, 55.95 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 19 + HA GLN 19 OK 100 100 100 100 2.4-2.4 3.0=100 HB3 GLN 89 - HA GLN 19 far 0 84 0 - 7.8-12.9 Violated in 0 structures by 0.00 A. Peak 509 from cnoeabs.peaks (2.42, 4.50, 55.95 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 19 + HA GLN 19 OK 99 100 100 99 2.6-3.3 533=75, 1.8/542=40...(16) HG3 GLN 19 + HA GLN 19 OK 74 75 100 99 3.0-3.9 3.8=70, 1.8/533=54...(15) HB3 ASN 20 - HA GLN 19 far 0 90 0 - 5.2-6.0 Violated in 0 structures by 0.00 A. Peak 510 from cnoeabs.peaks (2.39, 4.50, 55.95 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.85: HG2 GLN 19 + HA GLN 19 OK 74 75 100 98 2.6-3.3 3.8=66, 1.8/542=39...(16) * HG3 GLN 19 + HA GLN 19 OK 44 100 45 99 3.0-3.9 3.8=66, 1.8/533=53...(15) HB3 LEU 17 - HA GLN 19 far 0 75 0 - 6.2-6.9 HB2 GLN 81 - HA GLN 19 far 0 63 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 513 from cnoeabs.peaks (7.31, 4.50, 55.95 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 20 + HA GLN 19 OK 100 100 100 100 3.1-3.5 3.6=100 HE22 GLN 81 - HA GLN 19 far 0 90 0 - 6.4-12.1 HE3 TRP 80 - HA GLN 19 far 0 99 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 515 from cnoeabs.peaks (4.50, 2.26, 29.89 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 19 + HB2 GLN 19 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 88 - HB2 GLN 86 far 0 100 0 - 4.5-5.1 HA GLN 89 - HB2 GLN 86 far 0 99 0 - 8.3-8.9 HA ASN 68 - HB2 GLU 75 far 0 75 0 - 9.3-9.9 HA PRO 100 - HB2 GLU 75 far 0 79 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 516 from cnoeabs.peaks (2.26, 2.26, 29.89 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 19 + HB2 GLN 19 OK 100 100 - 100 HB2 GLN 86 + HB2 GLN 86 OK 100 100 - 100 HB2 GLU 75 + HB2 GLU 75 OK 78 78 - 100 HB3 GLU 75 + HB3 GLU 75 OK 77 77 - 100 Peak 517 from cnoeabs.peaks (1.98, 2.26, 29.89 ppm; 2.55 A): 1 out of 13 assignments used, quality = 1.00: * HB3 GLN 19 + HB2 GLN 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 72 - HB2 GLU 75 far 0 75 0 - 4.5-4.8 HB2 GLN 72 - HB3 GLU 75 far 0 75 0 - 6.2-6.4 HB3 GLU 101 - HB2 GLU 75 far 0 50 0 - 6.3-6.5 HB3 GLU 101 - HB3 GLU 75 far 0 49 0 - 7.6-7.8 HB3 GLN 89 - HB2 GLN 86 far 0 83 0 - 7.9-9.6 HG2 PRO 100 - HB2 GLU 75 far 0 70 0 - 8.4-8.8 HG13 ILE 90 - HB2 GLN 86 far 0 83 0 - 8.9-11.0 HG2 PRO 100 - HB3 GLU 75 far 0 69 0 - 9.0-9.3 HG3 PRO 100 - HB2 GLU 75 far 0 70 0 - 9.4-9.8 HG3 PRO 100 - HB3 GLU 75 far 0 69 0 - 9.7-10.0 HB ILE 90 - HB2 GLN 86 far 0 99 0 - 9.8-10.6 HB3 LEU 70 - HB2 GLU 75 far 0 53 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 518 from cnoeabs.peaks (2.42, 2.26, 29.89 ppm; 2.90 A increased from 2.73 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 19 + HB2 GLN 19 OK 100 100 100 100 2.4-2.8 3.0=90, 527/1.8=39...(19) HG3 GLN 19 + HB2 GLN 19 OK 75 75 100 99 2.4-2.9 3.0=90, 544/1.8=30...(18) HB3 ASN 20 - HB2 GLN 19 far 0 90 0 - 4.5-5.4 HE3 LYS 98 - HB3 GLU 75 far 0 67 0 - 4.8-9.1 HE2 LYS 98 - HB3 GLU 75 far 0 70 0 - 5.0-9.4 HE2 LYS 98 - HB2 GLU 75 far 0 71 0 - 5.9-10.0 HE3 LYS 98 - HB2 GLU 75 far 0 68 0 - 5.9-9.8 HE2 LYS 98 - HB2 GLN 86 far 0 94 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 519 from cnoeabs.peaks (2.39, 2.26, 29.89 ppm; 2.77 A increased from 2.61 A): 4 out of 8 assignments used, quality = 1.00: * HG3 GLN 19 + HB2 GLN 19 OK 99 100 100 99 2.4-2.9 3.0=78, 544/1.8=37...(17) HG2 GLN 19 + HB2 GLN 19 OK 74 75 100 98 2.4-2.8 3.0=78, 1.8/543=34...(17) HG2 GLU 75 + HB2 GLU 75 OK 66 68 100 97 2.4-2.8 3.0=78, 2354/3.0=32...(16) HG2 GLU 75 + HB3 GLU 75 OK 65 67 100 97 2.9-3.0 3.0=78, 2354/3.0=32...(15) HB3 LEU 17 - HB2 GLN 19 far 0 75 0 - 5.9-7.0 HB2 GLU 101 - HB2 GLU 75 far 0 40 0 - 7.9-8.2 HB2 PHE 41 - HB2 GLN 19 far 0 99 0 - 8.9-11.7 HB2 GLU 101 - HB3 GLU 75 far 0 40 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 520 from cnoeabs.peaks (7.63, 2.26, 29.89 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 19 + HB2 GLN 19 OK 97 100 100 97 2.0-4.4 4.5=75, 8856/3.0=42...(7) HD21 ASN 20 + HB2 GLN 19 OK 90 100 95 94 2.4-5.1 1.7/8857=51, ~8858=41...(9) H LYS 84 - HB2 GLN 86 far 0 82 0 - 6.5-6.9 H ARG 44 - HB2 GLN 19 far 0 63 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 522 from cnoeabs.peaks (7.31, 2.26, 29.89 ppm; 3.99 A): 4 out of 12 assignments used, quality = 1.00: * H ASN 20 + HB2 GLN 19 OK 100 100 100 100 2.9-3.8 6234=100, 531/1.8=62...(9) QD PHE 99 + HB2 GLU 75 OK 74 77 100 97 3.4-3.9 10168/10501=47, ~9945=30...(17) QD PHE 99 + HB3 GLU 75 OK 72 76 100 95 3.7-4.5 ~9945=30, 2.2/10851=25...(15) HE22 GLN 86 + HB2 GLN 86 OK 57 59 100 97 3.2-3.6 4.6=67, 7519/3.0=44...(12) QE PHE 79 - HB2 GLN 86 far 0 100 0 - 6.2-7.4 QE PHE 79 - HB3 GLU 75 far 0 78 0 - 7.6-8.3 QE PHE 104 - HB2 GLU 75 far 0 80 0 - 7.7-8.4 HE22 GLN 81 - HB2 GLN 19 far 0 90 0 - 8.2-13.3 QE PHE 79 - HB2 GLU 75 far 0 79 0 - 8.2-8.8 QE PHE 104 - HB3 GLU 75 far 0 79 0 - 8.6-9.2 HE3 TRP 80 - HB2 GLN 19 far 0 99 0 - 9.6-10.5 HE22 GLN 81 - HB2 GLN 86 far 0 89 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 524 from cnoeabs.peaks (4.50, 1.98, 29.89 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 19 + HB3 GLN 19 OK 100 100 100 100 2.4-2.4 3.0=100 HA GLN 89 - HB3 GLN 19 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 525 from cnoeabs.peaks (2.26, 1.98, 29.89 ppm; 2.47 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 19 + HB3 GLN 19 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 89 - HB3 GLN 19 far 0 96 0 - 8.2-14.0 HG3 GLN 89 - HB3 GLN 19 far 0 84 0 - 8.6-14.2 Violated in 0 structures by 0.00 A. Peak 526 from cnoeabs.peaks (1.98, 1.98, 29.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 19 + HB3 GLN 19 OK 100 100 - 100 Peak 527 from cnoeabs.peaks (2.42, 1.98, 29.89 ppm; 2.82 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 19 + HB3 GLN 19 OK 99 100 100 99 2.8-3.0 3.0=83, 1.8/544=38...(19) HG3 GLN 19 + HB3 GLN 19 OK 74 75 100 99 2.2-2.5 3.0=83, 1.8/535=37...(20) HB3 ASN 20 - HB3 GLN 19 far 0 90 0 - 4.8-6.5 Violated in 0 structures by 0.00 A. Peak 528 from cnoeabs.peaks (2.39, 1.98, 29.89 ppm; 2.82 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 19 + HB3 GLN 19 OK 99 100 100 99 2.2-2.5 3.0=83, 1.8/535=37...(20) HG2 GLN 19 + HB3 GLN 19 OK 74 75 100 99 2.8-3.0 3.0=83, 1.8/544=38...(18) HB3 LEU 17 - HB3 GLN 19 far 0 75 0 - 7.4-8.0 HB2 GLN 81 - HB3 GLN 19 far 0 63 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 531 from cnoeabs.peaks (7.31, 1.98, 29.89 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 20 + HB3 GLN 19 OK 100 100 100 100 4.0-4.5 4.6=94, 6234/1.8=89...(9) HE22 GLN 81 - HB3 GLN 19 far 0 90 0 - 7.0-12.3 HE3 TRP 80 - HB3 GLN 19 far 0 99 0 - 9.1-10.7 Violated in 4 structures by 0.00 A. Peak 533 from cnoeabs.peaks (4.50, 2.42, 33.69 ppm; 3.26 A increased from 3.07 A): 2 out of 5 assignments used, quality = 0.99: * HA GLN 19 + HG2 GLN 19 OK 98 100 100 98 2.6-3.3 3.8=66, 3.0/527=33...(16) HA GLN 19 + HG3 GLN 19 OK 33 75 45 98 3.0-3.9 3.8=66, 510/1.8=44...(15) HA ALA 45 - HG3 GLN 49 far 0 45 0 - 7.2-8.1 HA GLN 89 - HG2 GLN 19 far 0 100 0 - 8.4-11.1 HA GLN 89 - HG3 GLN 19 far 0 74 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 534 from cnoeabs.peaks (2.26, 2.42, 33.69 ppm; 2.60 A): 4 out of 9 assignments used, quality = 1.00: * HB2 GLN 19 + HG2 GLN 19 OK 96 100 100 96 2.4-2.8 3.0=65, 1.8/527=32...(20) HB2 GLN 19 + HG3 GLN 19 OK 72 75 100 96 2.4-2.9 3.0=65, 518/1.8=31...(19) HB3 GLN 49 + HG3 GLN 49 OK 47 48 100 97 3.0-3.0 2.9=70, 1375/1.8=61...(14) HG2 GLN 49 + HG3 GLN 49 OK 27 27 100 100 1.8-1.8 1.8=100 HG2 GLN 89 - HG2 GLN 19 far 0 96 0 - 6.7-13.2 HG2 GLN 89 - HG3 GLN 19 far 0 68 0 - 7.1-14.2 HG3 GLN 89 - HG2 GLN 19 far 0 84 0 - 7.1-13.1 HG3 GLN 89 - HG3 GLN 19 far 0 56 0 - 7.2-14.2 HG3 GLU 54 - HG3 GLN 49 far 0 51 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 535 from cnoeabs.peaks (1.98, 2.42, 33.69 ppm; 2.83 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 19 + HG2 GLN 19 OK 99 100 100 99 2.8-3.0 3.0=83, 528/1.8=38...(19) HB3 GLN 19 + HG3 GLN 19 OK 74 75 100 99 2.2-2.5 3.0=83, 527/1.8=38...(20) HB3 GLN 89 - HG2 GLN 19 far 0 84 0 - 8.8-13.6 HB3 GLN 89 - HG3 GLN 19 far 0 56 0 - 9.1-14.6 HB2 GLU 54 - HG3 GLN 49 far 0 40 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 536 from cnoeabs.peaks (2.42, 2.42, 33.69 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 19 + HG2 GLN 19 OK 100 100 - 100 HG3 GLN 19 + HG3 GLN 19 OK 49 49 - 100 HG3 GLN 49 + HG3 GLN 49 OK 38 38 - 100 Peak 537 from cnoeabs.peaks (2.39, 2.42, 33.69 ppm; diagonal): 2 out of 2 assignments used, quality = 0.94: HG3 GLN 19 + HG3 GLN 19 OK 75 75 - 100 HG2 GLN 19 + HG2 GLN 19 OK 75 75 - 100 Reference assignment not found: HG3 GLN 19 - HG2 GLN 19 Peak 538 from cnoeabs.peaks (7.63, 2.42, 33.69 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HE21 GLN 19 + HG2 GLN 19 OK 100 100 100 100 2.1-2.8 3.5=100 HE21 GLN 19 + HG3 GLN 19 OK 75 75 100 100 3.2-3.6 3.5=100 HD21 ASN 20 - HG2 GLN 19 poor 20 100 20 - 4.3-7.5 HD21 ASN 20 - HG3 GLN 19 far 0 75 0 - 4.7-7.5 H GLU 54 - HG3 GLN 49 far 0 50 0 - 6.6-7.0 H LYS 84 - HG2 GLN 19 far 0 82 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 540 from cnoeabs.peaks (7.31, 2.42, 33.69 ppm; 4.77 A increased from 4.24 A): 1 out of 7 assignments used, quality = 1.00: * H ASN 20 + HG2 GLN 19 OK 100 100 100 100 4.1-4.6 5.0=87, 6234/3.0=79...(10) H ASN 20 - HG3 GLN 19 far 4 75 5 - 5.1-5.7 HE3 TRP 48 - HG3 GLN 49 far 0 24 0 - 5.9-6.4 HZ3 TRP 42 - HG3 GLN 49 far 0 38 0 - 9.1-9.9 HE22 GLN 81 - HG3 GLN 19 far 0 61 0 - 9.3-14.1 HE22 GLN 81 - HG2 GLN 19 far 0 90 0 - 9.5-14.5 HZ2 TRP 48 - HG3 GLN 49 far 0 49 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 542 from cnoeabs.peaks (4.50, 2.39, 33.69 ppm; 3.36 A increased from 3.16 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 19 + HG3 GLN 19 OK 99 100 100 99 3.0-3.9 3.8=72, 510/1.8=46...(15) HA GLN 19 + HG2 GLN 19 OK 74 75 100 99 2.6-3.3 3.8=72, 509/1.8=31...(16) HA GLN 89 - HG2 GLN 19 far 0 74 0 - 8.4-11.1 HA GLN 89 - HG3 GLN 19 far 0 100 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 543 from cnoeabs.peaks (2.26, 2.39, 33.69 ppm; 2.98 A increased from 2.64 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 19 + HG3 GLN 19 OK 100 100 100 100 2.4-2.9 3.0=97, 1.8/544=42...(19) HB2 GLN 19 + HG2 GLN 19 OK 75 75 100 100 2.4-2.8 3.0=97, 1.8/544=31...(19) HG2 GLN 89 - HG2 GLN 19 far 0 68 0 - 6.7-13.2 HG2 GLN 89 - HG3 GLN 19 far 0 96 0 - 7.1-14.2 HG3 GLN 89 - HG2 GLN 19 far 0 56 0 - 7.1-13.1 HG3 GLN 89 - HG3 GLN 19 far 0 84 0 - 7.2-14.2 Violated in 0 structures by 0.00 A. Peak 544 from cnoeabs.peaks (1.98, 2.39, 33.69 ppm; 2.78 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 19 + HG3 GLN 19 OK 99 100 100 99 2.2-2.5 3.0=79, 527/1.8=37...(20) HB3 GLN 19 + HG2 GLN 19 OK 74 75 100 98 2.8-3.0 3.0=79, 528/1.8=37...(18) HB3 GLN 89 - HG2 GLN 19 far 0 56 0 - 8.8-13.6 HB3 GLN 89 - HG3 GLN 19 far 0 84 0 - 9.1-14.6 Violated in 0 structures by 0.00 A. Peak 545 from cnoeabs.peaks (2.42, 2.39, 33.69 ppm; diagonal): 2 out of 2 assignments used, quality = 0.94: HG3 GLN 19 + HG3 GLN 19 OK 75 75 - 100 HG2 GLN 19 + HG2 GLN 19 OK 75 75 - 100 Reference assignment not found: HG2 GLN 19 - HG3 GLN 19 Peak 546 from cnoeabs.peaks (2.39, 2.39, 33.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 19 + HG3 GLN 19 OK 100 100 - 100 HG2 GLN 19 + HG2 GLN 19 OK 49 49 - 100 Peak 547 from cnoeabs.peaks (7.63, 2.39, 33.69 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: * HE21 GLN 19 + HG3 GLN 19 OK 100 100 100 100 3.2-3.6 3.5=100 HE21 GLN 19 + HG2 GLN 19 OK 75 75 100 100 2.1-2.8 3.5=100 HD21 ASN 20 - HG2 GLN 19 poor 20 75 30 88 4.3-7.5 ~8858=34, ~8857=34...(8) HD21 ASN 20 - HG3 GLN 19 far 15 100 15 - 4.7-7.5 H LYS 84 - HG2 GLN 19 far 0 55 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 549 from cnoeabs.peaks (7.31, 2.39, 33.69 ppm; 4.79 A increased from 4.26 A): 1 out of 4 assignments used, quality = 0.75: H ASN 20 + HG2 GLN 19 OK 75 75 100 100 4.1-4.6 5.0=88, 6234/3.0=79...(10) ! H ASN 20 - HG3 GLN 19 far 5 100 5 - 5.1-5.7 HE22 GLN 81 - HG3 GLN 19 far 0 90 0 - 9.3-14.1 HE22 GLN 81 - HG2 GLN 19 far 0 61 0 - 9.5-14.5 Violated in 0 structures by 0.00 A. Peak 550 from cnoeabs.peaks (7.31, 5.11, 51.97 ppm; 4.13 A): 2 out of 8 assignments used, quality = 1.00: * H ASN 20 + HA ASN 20 OK 100 100 100 100 2.9-2.9 3.0=100 HZ3 TRP 42 + HA ASP 46 OK 43 59 95 77 4.2-4.8 2.5/9262=39, 10409=31...(6) HE3 TRP 80 - HA ASN 20 far 0 99 0 - 5.6-6.0 HE22 GLN 81 - HA ASN 20 far 0 90 0 - 6.0-10.5 HE3 TRP 48 - HA ASP 46 far 0 39 0 - 6.5-7.0 HH2 TRP 42 - HA ASP 46 far 0 44 0 - 6.6-7.1 HH2 TRP 42 - HA ASN 20 far 0 68 0 - 9.1-9.9 HZ3 TRP 42 - HA ASN 20 far 0 85 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 551 from cnoeabs.peaks (5.11, 5.11, 51.97 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASN 20 + HA ASN 20 OK 100 100 - 100 HA ASP 46 + HA ASP 46 OK 63 63 - 100 Peak 552 from cnoeabs.peaks (2.21, 5.11, 51.97 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 20 + HA ASN 20 OK 100 100 100 100 2.3-2.7 2.9=100 HG2 GLN 89 - HA ASN 20 far 0 65 0 - 9.7-15.6 HB2 ASN 20 - HA ASP 46 far 0 77 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 553 from cnoeabs.peaks (2.45, 5.11, 51.97 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 20 + HA ASN 20 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLN 49 - HA ASP 46 far 0 76 0 - 5.5-6.0 HG2 GLN 19 - HA ASN 20 far 0 90 0 - 6.5-6.5 HB2 ASP 53 - HA ASP 46 far 0 49 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 554 from cnoeabs.peaks (7.63, 5.11, 51.97 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 20 + HA ASN 20 OK 100 100 100 100 2.2-4.3 4.4=100 HE21 GLN 19 - HA ASN 20 far 0 100 0 - 5.9-7.9 H LYS 84 - HA ASN 20 far 0 87 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 556 from cnoeabs.peaks (8.68, 5.11, 51.97 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 21 + HA ASN 20 OK 100 100 100 100 2.6-2.6 3.6=100 H VAL 21 - HA ASP 46 far 0 77 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 557 from cnoeabs.peaks (7.31, 2.21, 45.42 ppm; 4.59 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 20 + HB2 ASN 20 OK 100 100 100 100 3.8-4.0 4.1=100 HE3 TRP 80 - HB2 ASN 20 far 0 99 0 - 7.3-7.7 HE22 GLN 81 - HB2 ASN 20 far 0 90 0 - 7.9-12.4 HH2 TRP 42 - HB2 ASN 20 far 0 68 0 - 9.6-10.5 HZ3 TRP 42 - HB2 ASN 20 far 0 85 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 558 from cnoeabs.peaks (5.11, 2.21, 45.42 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 20 + HB2 ASN 20 OK 100 100 100 100 2.3-2.7 2.9=100 HA ASP 46 - HB2 ASN 20 far 0 90 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 559 from cnoeabs.peaks (2.21, 2.21, 45.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 20 + HB2 ASN 20 OK 100 100 - 100 Peak 560 from cnoeabs.peaks (2.45, 2.21, 45.42 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 20 + HB2 ASN 20 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 19 - HB2 ASN 20 far 0 90 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 561 from cnoeabs.peaks (7.63, 2.21, 45.42 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 20 + HB2 ASN 20 OK 100 100 100 100 2.1-3.5 3.5=100 HE21 GLN 19 - HB2 ASN 20 far 0 100 0 - 6.0-9.1 Violated in 0 structures by 0.00 A. Peak 562 from cnoeabs.peaks (6.53, 2.21, 45.42 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 20 + HB2 ASN 20 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 563 from cnoeabs.peaks (8.68, 2.21, 45.42 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 21 + HB2 ASN 20 OK 100 100 100 100 2.0-2.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 565 from cnoeabs.peaks (5.11, 2.45, 45.42 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 20 + HB3 ASN 20 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 566 from cnoeabs.peaks (2.21, 2.45, 45.42 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 20 + HB3 ASN 20 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 567 from cnoeabs.peaks (2.45, 2.45, 45.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 20 + HB3 ASN 20 OK 100 100 - 100 Peak 568 from cnoeabs.peaks (7.63, 2.45, 45.42 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 20 + HB3 ASN 20 OK 100 100 100 100 2.2-3.6 3.5=100 HE21 GLN 19 - HB3 ASN 20 poor 10 100 30 33 4.8-8.2 6247/6242=22, 6251/3.5=9...(4) Violated in 0 structures by 0.00 A. Peak 570 from cnoeabs.peaks (8.68, 2.45, 45.42 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 21 + HB3 ASN 20 OK 100 100 100 100 2.5-3.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 571 from cnoeabs.peaks (8.68, 4.45, 58.32 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 21 + HA VAL 21 OK 100 100 100 100 2.9-2.9 3.0=100 H GLY 106 - HA SER 107 lone 0 41 90 1 4.8-5.9 Violated in 0 structures by 0.00 A. Peak 572 from cnoeabs.peaks (4.45, 4.45, 58.32 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA VAL 21 + HA VAL 21 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 54 54 - 100 HA SER 107 + HA SER 107 OK 26 26 - 100 Peak 573 from cnoeabs.peaks (-0.02, 4.45, 58.32 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 21 + HA VAL 21 OK 100 100 100 100 2.4-2.4 3.0=100 QB ALA 95 - HA VAL 21 far 0 100 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 574 from cnoeabs.peaks (0.31, 4.45, 58.32 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 21 + HA VAL 21 OK 100 100 100 100 3.2-3.2 3.2=100 QG2 ILE 61 - HA SER 9 far 0 46 0 - 6.0-7.3 QD2 LEU 55 - HA SER 9 far 0 55 0 - 8.1-8.3 QG2 VAL 76 - HA VAL 21 far 0 96 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 575 from cnoeabs.peaks (0.70, 4.45, 58.32 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 21 + HA VAL 21 OK 100 100 100 100 2.3-2.4 3.2=100 QD1 ILE 28 - HA SER 9 far 0 63 0 - 5.2-5.3 QG2 VAL 29 - HA SER 9 far 0 46 0 - 6.5-6.6 QD1 ILE 90 - HA VAL 21 far 0 65 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 576 from cnoeabs.peaks (8.46, 4.45, 58.32 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 22 + HA VAL 21 OK 100 100 100 100 2.1-2.2 3.5=99, 594/3.2=46...(4) H HIS 7 - HA SER 9 far 0 60 0 - 6.9-7.9 H ASN 78 - HA VAL 21 far 0 100 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 578 from cnoeabs.peaks (4.45, -0.02, 33.22 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 21 + HB VAL 21 OK 100 100 100 100 2.4-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 579 from cnoeabs.peaks (-0.02, -0.02, 33.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 21 + HB VAL 21 OK 100 100 - 100 Peak 580 from cnoeabs.peaks (0.31, -0.02, 33.22 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 21 + HB VAL 21 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 76 - HB VAL 21 far 0 96 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 581 from cnoeabs.peaks (0.70, -0.02, 33.22 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 21 + HB VAL 21 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 90 - HB VAL 21 far 0 65 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 583 from cnoeabs.peaks (8.68, 0.31, 20.01 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 21 + QG1 VAL 21 OK 100 100 100 100 2.1-2.4 6267=100, 3.6/8872=30...(5) Violated in 0 structures by 0.00 A. Peak 584 from cnoeabs.peaks (4.45, 0.31, 20.01 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 21 + QG1 VAL 21 OK 100 100 100 100 3.2-3.2 3.2=100 HA ASP 82 - QG1 VAL 21 far 0 77 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 585 from cnoeabs.peaks (-0.02, 0.31, 20.01 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 21 + QG1 VAL 21 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 95 - QG1 VAL 21 far 0 100 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 586 from cnoeabs.peaks (0.31, 0.31, 20.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 21 + QG1 VAL 21 OK 100 100 - 100 Peak 587 from cnoeabs.peaks (0.70, 0.31, 20.01 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 21 + QG1 VAL 21 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 ILE 90 - QG1 VAL 21 far 0 65 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 588 from cnoeabs.peaks (8.46, 0.31, 20.01 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 22 + QG1 VAL 21 OK 100 100 100 100 4.1-4.2 4.3=100 H ASN 78 - QG1 VAL 21 far 5 100 5 - 5.6-5.9 H ASP 82 - QG1 VAL 21 far 0 100 0 - 6.4-6.6 H THR 74 - QG1 VAL 21 far 0 95 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 589 from cnoeabs.peaks (8.68, 0.70, 22.15 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 21 + QG2 VAL 21 OK 100 100 100 100 3.9-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 590 from cnoeabs.peaks (4.45, 0.70, 22.15 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 21 + QG2 VAL 21 OK 100 100 100 100 2.3-2.4 3.2=100 HA ASP 82 - QG2 VAL 21 far 0 77 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 591 from cnoeabs.peaks (-0.02, 0.70, 22.15 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 21 + QG2 VAL 21 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 95 - QG2 VAL 21 far 0 100 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 592 from cnoeabs.peaks (0.31, 0.70, 22.15 ppm; 3.04 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 21 + QG2 VAL 21 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 76 - QG2 VAL 21 far 0 96 0 - 4.8-5.0 Violated in 0 structures by 0.00 A. Peak 593 from cnoeabs.peaks (0.70, 0.70, 22.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 21 + QG2 VAL 21 OK 100 100 - 100 Peak 594 from cnoeabs.peaks (8.46, 0.70, 22.15 ppm; 3.81 A): 1 out of 4 assignments used, quality = 0.95: * H ALA 22 + QG2 VAL 21 OK 95 100 100 95 2.9-3.1 6275=78, 576/3.2=60...(7) H ASN 78 - QG2 VAL 21 far 0 100 0 - 5.8-6.2 H ASP 82 - QG2 VAL 21 far 0 100 0 - 7.2-7.6 H THR 74 - QG2 VAL 21 far 0 95 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 595 from cnoeabs.peaks (8.46, 5.61, 47.96 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + HA ALA 22 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 596 from cnoeabs.peaks (5.61, 5.61, 47.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 22 + HA ALA 22 OK 100 100 - 100 Peak 597 from cnoeabs.peaks (0.13, 5.61, 47.96 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 22 + HA ALA 22 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 15 - HA ALA 22 far 0 99 0 - 5.1-6.0 Violated in 0 structures by 0.00 A. Peak 598 from cnoeabs.peaks (8.80, 5.61, 47.96 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + HA ALA 22 OK 100 100 100 100 2.2-2.2 6281=100, 602/2.1=72...(9) Violated in 0 structures by 0.00 A. Peak 599 from cnoeabs.peaks (8.46, 0.13, 21.17 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + QB ALA 22 OK 100 100 100 100 2.2-2.3 2.9=100 Violated in 0 structures by 0.00 A. Peak 600 from cnoeabs.peaks (5.61, 0.13, 21.17 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 22 + QB ALA 22 OK 100 100 100 100 2.1-2.1 2.1=100 HA TRP 42 - QB ALA 22 far 0 98 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 601 from cnoeabs.peaks (0.13, 0.13, 21.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 22 + QB ALA 22 OK 100 100 - 100 Peak 602 from cnoeabs.peaks (8.80, 0.13, 21.17 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 23 + QB ALA 22 OK 98 100 100 98 2.8-3.0 3.7=74, 6281/2.1=62...(8) Violated in 0 structures by 0.00 A. Peak 603 from cnoeabs.peaks (8.80, 5.50, 58.37 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + HA ILE 23 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 605 from cnoeabs.peaks (1.77, 5.50, 58.37 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 23 + HA ILE 23 OK 100 100 100 100 2.4-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 606 from cnoeabs.peaks (0.80, 5.50, 58.37 ppm; 3.23 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 23 + HA ILE 23 OK 100 100 100 100 2.3-2.4 3.2=100 QG2 VAL 102 - HA ILE 23 far 0 65 0 - 6.6-7.3 HG LEU 15 - HA ILE 23 far 0 61 0 - 6.9-7.5 QD1 LEU 17 - HA ILE 23 far 0 71 0 - 7.2-7.7 QD1 LEU 109 - HA ILE 23 far 0 61 0 - 8.7-16.3 QG2 VAL 69 - HA ILE 23 far 0 87 0 - 8.8-9.0 QD2 LEU 17 - HA ILE 23 far 0 57 0 - 8.9-9.3 QD1 ILE 11 - HA ILE 23 far 0 63 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 607 from cnoeabs.peaks (1.72, 5.50, 58.37 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 23 + HA ILE 23 OK 100 100 100 100 3.6-3.7 4.0=100 HB VAL 25 - HA ILE 23 far 0 98 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 608 from cnoeabs.peaks (1.23, 5.50, 58.37 ppm; 5.73 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 23 + HA ILE 23 OK 100 100 100 100 3.7-3.8 4.0=100 HB3 LEU 15 + HA ILE 23 OK 97 100 100 97 5.1-5.5 8128/4.9=77, 4.0/8829=71...(4) Violated in 0 structures by 0.00 A. Peak 609 from cnoeabs.peaks (0.75, 5.50, 58.37 ppm; 4.37 A increased from 4.11 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 23 + HA ILE 23 OK 100 100 100 100 4.2-4.2 4.2=100 QG2 VAL 69 - HA ILE 23 far 0 85 0 - 8.8-9.0 QD2 LEU 109 - HA ILE 23 far 0 100 0 - 9.2-17.7 QD1 ILE 11 - HA ILE 23 far 0 98 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 610 from cnoeabs.peaks (8.92, 5.50, 58.37 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 24 + HA ILE 23 OK 100 100 100 100 2.4-2.5 6292=100, 6293/3.0=45...(13) H LEU 15 + HA ILE 23 OK 65 82 100 79 3.1-3.4 4.2/8084=29, 4.2/8814=27...(7) H TRP 80 - HA ILE 23 far 0 61 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 611 from cnoeabs.peaks (8.80, 1.77, 41.91 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + HB ILE 23 OK 100 100 100 100 3.8-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 612 from cnoeabs.peaks (5.50, 1.77, 41.91 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 23 + HB ILE 23 OK 100 100 100 100 2.4-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 613 from cnoeabs.peaks (1.77, 1.77, 41.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 23 + HB ILE 23 OK 100 100 - 100 Peak 614 from cnoeabs.peaks (0.80, 1.77, 41.91 ppm; 2.74 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 23 + HB ILE 23 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 102 - HB ILE 23 far 0 65 0 - 6.0-6.5 QG2 VAL 69 - HB ILE 23 far 0 87 0 - 7.1-7.3 QD1 LEU 17 - HB ILE 23 far 0 71 0 - 8.8-9.3 HG2 LYS 52 - HB ILE 23 far 0 99 0 - 8.9-10.8 HG LEU 15 - HB ILE 23 far 0 61 0 - 9.3-9.9 QD1 ILE 11 - HB ILE 23 far 0 63 0 - 9.4-10.5 QD2 LEU 36 - HB ILE 23 far 0 98 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 615 from cnoeabs.peaks (1.72, 1.77, 41.91 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 23 + HB ILE 23 OK 100 100 100 100 2.4-2.5 3.0=100 HB VAL 25 - HB ILE 23 far 0 98 0 - 6.4-6.9 HG LEU 55 - HB ILE 23 far 0 88 0 - 9.6-9.9 HB3 LEU 36 - HB ILE 23 far 0 84 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 616 from cnoeabs.peaks (1.23, 1.77, 41.91 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 23 + HB ILE 23 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 15 - HB ILE 23 far 0 100 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 617 from cnoeabs.peaks (0.75, 1.77, 41.91 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 23 + HB ILE 23 OK 100 100 100 100 2.3-2.4 645=100, 646/2.1=78...(16) QG2 VAL 69 - HB ILE 23 far 0 85 0 - 7.1-7.3 HG2 LYS 52 - HB ILE 23 far 0 59 0 - 8.9-10.8 QD1 ILE 11 - HB ILE 23 far 0 98 0 - 9.4-10.5 QD2 LEU 36 - HB ILE 23 far 0 65 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 618 from cnoeabs.peaks (8.92, 1.77, 41.91 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 24 + HB ILE 23 OK 100 100 100 100 2.2-2.5 6293=100, 6292/3.0=67...(19) H LEU 15 - HB ILE 23 far 0 82 0 - 5.3-5.7 H ASN 71 - HB ILE 23 far 0 92 0 - 9.5-9.8 H TRP 80 - HB ILE 23 far 0 61 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 619 from cnoeabs.peaks (8.80, 0.80, 17.01 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 23 + QG2 ILE 23 OK 99 100 100 99 2.7-2.8 6285=70, 3.0/620=63...(11) H ILE 90 + QG2 ILE 90 OK 74 80 100 93 2.0-2.3 4.0=67, 3570/3.2=30...(9) H ASN 85 - QG2 ILE 90 far 0 50 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 620 from cnoeabs.peaks (5.50, 0.80, 17.01 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 23 + QG2 ILE 23 OK 100 100 100 100 2.3-2.4 3.2=81, 6292/6294=35...(22) Violated in 0 structures by 0.00 A. Peak 621 from cnoeabs.peaks (1.77, 0.80, 17.01 ppm; 2.73 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 23 + QG2 ILE 23 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 36 - QG2 ILE 28 far 0 67 0 - 9.1-9.5 HG LEU 55 - QG2 ILE 23 far 0 75 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 622 from cnoeabs.peaks (0.80, 0.80, 17.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 ILE 23 + QG2 ILE 23 OK 100 100 - 100 QG2 ILE 28 + QG2 ILE 28 OK 78 78 - 100 QG2 ILE 90 + QG2 ILE 90 OK 73 73 - 100 Peak 623 from cnoeabs.peaks (1.72, 0.80, 17.01 ppm; 3.34 A increased from 3.14 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 23 + QG2 ILE 23 OK 100 100 100 100 3.2-3.2 3.2=100 HB3 LYS 88 + QG2 ILE 90 OK 36 60 70 85 3.0-4.1 3.0/10076=34...(12) HB VAL 25 - QG2 ILE 23 far 0 98 0 - 7.3-7.7 HB3 LEU 36 - QG2 ILE 28 far 0 71 0 - 9.1-9.5 HB2 GLN 96 - QG2 ILE 90 far 0 88 0 - 9.6-10.3 HG LEU 55 - QG2 ILE 23 far 0 88 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 624 from cnoeabs.peaks (1.23, 0.80, 17.01 ppm; 3.09 A): 1 out of 8 assignments used, quality = 1.00: * HG13 ILE 23 + QG2 ILE 23 OK 100 100 100 100 2.2-2.4 3.2=91, 2.1/646=79...(17) HG2 LYS 88 - QG2 ILE 90 poor 12 58 20 - 3.3-5.0 HB2 LEU 83 - QG2 ILE 90 far 0 86 0 - 4.0-5.8 HB3 LEU 15 - QG2 ILE 23 far 0 100 0 - 5.4-5.8 HD2 LYS 84 - QG2 ILE 90 far 0 65 0 - 8.1-12.3 HG2 LYS 84 - QG2 ILE 90 far 0 72 0 - 8.6-11.5 HD2 LYS 52 - QG2 ILE 23 far 0 96 0 - 8.8-10.4 HD2 LYS 84 - QG2 ILE 23 far 0 81 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 625 from cnoeabs.peaks (0.75, 0.80, 17.01 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * QD1 ILE 23 + QG2 ILE 23 OK 100 100 100 100 1.9-2.1 646=100, 645/2.1=40...(17) QD1 ILE 11 - QG2 ILE 28 far 0 87 0 - 3.7-4.1 QG2 VAL 29 - QG2 ILE 28 far 0 66 0 - 4.1-4.2 QG1 VAL 29 - QG2 ILE 28 far 0 91 0 - 4.6-4.6 QD2 LEU 36 - QG2 ILE 28 far 0 54 0 - 7.1-7.3 QG2 VAL 69 - QG2 ILE 23 far 0 85 0 - 7.2-7.4 QD2 LEU 109 - QG2 ILE 28 far 0 91 0 - 7.7-19.8 HG2 LYS 52 - QG2 ILE 23 far 0 59 0 - 8.2-9.7 QD2 LEU 109 - QG2 ILE 23 far 0 100 0 - 8.8-16.7 QG2 VAL 69 - QG2 ILE 28 far 0 72 0 - 8.9-9.0 QD1 ILE 11 - QG2 ILE 23 far 0 98 0 - 9.4-10.2 QD2 LEU 36 - QG2 ILE 23 far 0 65 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 626 from cnoeabs.peaks (8.92, 0.80, 17.01 ppm; 3.92 A increased from 3.30 A): 3 out of 6 assignments used, quality = 1.00: * H ALA 24 + QG2 ILE 23 OK 100 100 100 100 3.7-3.8 6294=100, 6293/2.1=75...(17) H LEU 15 + QG2 ILE 23 OK 73 82 100 89 3.8-4.2 3.6/10770=51, 10804=41...(8) H GLY 30 + QG2 ILE 28 OK 63 82 100 76 4.5-4.5 4.6/6369=44, 2.9/9092=42...(4) H TRP 80 - QG2 ILE 23 far 0 61 0 - 6.6-6.9 H TRP 80 - QG2 ILE 90 far 0 48 0 - 8.3-9.0 H ASN 71 - QG2 ILE 23 far 0 92 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 627 from cnoeabs.peaks (8.80, 1.72, 25.35 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + HG12 ILE 23 OK 100 100 100 100 3.0-3.3 6286=88, 635/1.8=80...(13) Violated in 0 structures by 0.00 A. Peak 628 from cnoeabs.peaks (5.50, 1.72, 25.35 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 23 + HG12 ILE 23 OK 100 100 100 100 3.6-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 629 from cnoeabs.peaks (1.77, 1.72, 25.35 ppm; 2.97 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 23 + HG12 ILE 23 OK 100 100 100 100 2.4-2.5 3.0=94, 645/2.1=61...(14) HB3 LEU 36 - HG LEU 55 far 0 57 0 - 5.7-6.0 HG LEU 55 - HG12 ILE 23 far 0 75 0 - 8.4-8.9 HB3 LEU 36 - HG12 ILE 23 far 0 81 0 - 9.4-9.9 HB ILE 23 - HG LEU 55 far 0 80 0 - 9.6-9.9 HB ILE 67 - HG LEU 55 far 0 40 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 630 from cnoeabs.peaks (0.80, 1.72, 25.35 ppm; 3.20 A): 2 out of 14 assignments used, quality = 1.00: * QG2 ILE 23 + HG12 ILE 23 OK 100 100 100 100 3.2-3.2 3.2=100 HB3 LEU 55 + HG LEU 55 OK 48 48 100 100 3.0-3.0 3.0=100 QG2 VAL 69 - HG LEU 55 far 0 63 0 - 3.8-4.0 QD2 LEU 36 - HG LEU 55 far 0 75 0 - 4.1-4.2 HG2 LYS 52 - HG LEU 55 far 0 77 0 - 5.5-6.3 QD1 ILE 67 - HG LEU 55 far 0 80 0 - 6.8-7.3 QG2 VAL 69 - HG12 ILE 23 far 0 87 0 - 7.1-7.4 HG2 LYS 52 - HG12 ILE 23 far 0 99 0 - 7.7-9.3 QG2 VAL 102 - HG12 ILE 23 far 0 65 0 - 8.0-8.6 QD1 ILE 11 - HG LEU 55 far 0 44 0 - 8.7-10.6 QD1 LEU 17 - HG12 ILE 23 far 0 71 0 - 8.8-9.2 QD2 LEU 36 - HG12 ILE 23 far 0 98 0 - 9.2-9.5 QG2 ILE 23 - HG LEU 55 far 0 80 0 - 9.7-9.9 HG LEU 15 - HG12 ILE 23 far 0 61 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 631 from cnoeabs.peaks (1.72, 1.72, 25.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 23 + HG12 ILE 23 OK 100 100 - 100 HG LEU 55 + HG LEU 55 OK 64 64 - 100 Peak 632 from cnoeabs.peaks (1.23, 1.72, 25.35 ppm; 2.96 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 23 + HG12 ILE 23 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 52 - HG LEU 55 far 0 73 0 - 7.6-8.3 HB3 LEU 15 - HG12 ILE 23 far 0 100 0 - 8.1-8.5 HD2 LYS 52 - HG12 ILE 23 far 0 96 0 - 9.2-10.7 HG13 ILE 23 - HG LEU 55 far 0 80 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 633 from cnoeabs.peaks (0.75, 1.72, 25.35 ppm; 3.06 A): 2 out of 10 assignments used, quality = 1.00: * QD1 ILE 23 + HG12 ILE 23 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 55 + HG LEU 55 OK 73 73 100 100 3.0-3.0 3.0=100 QG2 VAL 69 - HG LEU 55 far 0 62 0 - 3.8-4.0 QD2 LEU 36 - HG LEU 55 far 0 45 0 - 4.1-4.2 HG2 LYS 52 - HG LEU 55 far 0 40 0 - 5.5-6.3 QG2 VAL 69 - HG12 ILE 23 far 0 85 0 - 7.1-7.4 QD1 ILE 23 - HG LEU 55 far 0 80 0 - 7.1-7.4 HG2 LYS 52 - HG12 ILE 23 far 0 59 0 - 7.7-9.3 QD1 ILE 11 - HG LEU 55 far 0 75 0 - 8.7-10.6 QD2 LEU 36 - HG12 ILE 23 far 0 65 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 634 from cnoeabs.peaks (8.92, 1.72, 25.35 ppm; 5.37 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 24 + HG12 ILE 23 OK 100 100 100 100 3.1-3.6 6295=100, 650/2.1=96...(12) H LEU 15 - HG12 ILE 23 far 0 82 0 - 6.6-6.9 H ALA 24 - HG LEU 55 far 0 80 0 - 9.1-9.6 H ASN 71 - HG LEU 55 far 0 68 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 635 from cnoeabs.peaks (8.80, 1.23, 25.35 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 23 + HG13 ILE 23 OK 100 100 100 100 2.1-2.2 6287=94, 627/1.8=68...(12) H ILE 90 - HG2 LYS 88 poor 8 40 20 - 4.2-5.7 H ASN 85 - HG2 LYS 88 far 0 23 0 - 5.8-8.6 Violated in 0 structures by 0.00 A. Peak 636 from cnoeabs.peaks (5.50, 1.23, 25.35 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 23 + HG13 ILE 23 OK 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 637 from cnoeabs.peaks (1.77, 1.23, 25.35 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 23 + HG13 ILE 23 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 55 - HG13 ILE 23 far 0 75 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 638 from cnoeabs.peaks (0.80, 1.23, 25.35 ppm; 3.32 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 23 + HG13 ILE 23 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 ILE 90 - HG2 LYS 88 poor 7 36 20 - 3.3-5.0 HB2 LYS 84 - HG2 LYS 88 far 0 24 0 - 7.3-10.7 QD1 LEU 17 - HG13 ILE 23 far 0 71 0 - 7.8-8.4 QG2 VAL 69 - HG13 ILE 23 far 0 87 0 - 8.4-8.7 HG2 LYS 52 - HG13 ILE 23 far 0 99 0 - 8.4-9.9 QG2 VAL 102 - HG13 ILE 23 far 0 65 0 - 8.5-8.9 HG LEU 15 - HG13 ILE 23 far 0 61 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 639 from cnoeabs.peaks (1.72, 1.23, 25.35 ppm; 2.90 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 23 + HG13 ILE 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 88 + HG2 LYS 88 OK 28 28 100 100 2.3-3.0 3.0=94, 3418/1.8=49...(33) HB VAL 25 - HG13 ILE 23 far 0 98 0 - 7.7-8.0 HG LEU 55 - HG13 ILE 23 far 0 88 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 640 from cnoeabs.peaks (1.23, 1.23, 25.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 23 + HG13 ILE 23 OK 100 100 - 100 HG2 LYS 88 + HG2 LYS 88 OK 27 27 - 100 Peak 641 from cnoeabs.peaks (0.75, 1.23, 25.35 ppm; 3.19 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 23 + HG13 ILE 23 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 90 - HG2 LYS 88 poor 6 31 20 - 3.3-5.0 QG2 VAL 69 - HG13 ILE 23 far 0 85 0 - 8.4-8.7 HG2 LYS 52 - HG13 ILE 23 far 0 59 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 642 from cnoeabs.peaks (8.92, 1.23, 25.35 ppm; 5.51 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 24 + HG13 ILE 23 OK 100 100 100 100 4.3-4.7 650/2.1=97, 6295/1.8=96...(11) H LEU 15 - HG13 ILE 23 far 0 82 0 - 6.4-6.6 H TRP 80 - HG2 LYS 88 far 0 22 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 643 from cnoeabs.peaks (8.80, 0.75, 13.70 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 23 + QD1 ILE 23 OK 100 100 100 100 3.8-3.9 6288=94, 635/2.1=79...(11) Violated in 0 structures by 0.00 A. Peak 644 from cnoeabs.peaks (5.50, 0.75, 13.70 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 23 + QD1 ILE 23 OK 100 100 100 100 4.2-4.2 4.2=100 HA ILE 23 - QD1 ILE 11 far 0 95 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 645 from cnoeabs.peaks (1.77, 0.75, 13.70 ppm; 2.95 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 23 + QD1 ILE 23 OK 100 100 100 100 2.3-2.4 617=90, 2.1/625=74...(16) HB3 LEU 36 - QD1 ILE 11 far 0 73 0 - 5.5-7.4 HG LEU 55 - QD1 ILE 23 far 0 75 0 - 7.1-7.4 HB3 PRO 35 - QD1 ILE 11 far 0 87 0 - 7.4-8.6 HG LEU 55 - QD1 ILE 11 far 0 68 0 - 8.7-10.6 HB3 LEU 36 - QD1 ILE 23 far 0 81 0 - 8.8-9.4 HB ILE 23 - QD1 ILE 11 far 0 95 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 646 from cnoeabs.peaks (0.80, 0.75, 13.70 ppm; 2.40 A): 1 out of 20 assignments used, quality = 1.00: * QG2 ILE 23 + QD1 ILE 23 OK 100 100 100 100 1.9-2.1 625=100, 2.1/645=40...(17) QG2 ILE 28 - QD1 ILE 11 far 0 83 0 - 3.7-4.1 QD2 LEU 36 - QD1 ILE 11 far 0 91 0 - 4.8-6.5 HG2 LYS 52 - QD1 ILE 23 far 0 99 0 - 5.4-6.9 QG2 VAL 69 - QD1 ILE 23 far 0 87 0 - 5.6-5.8 QG2 VAL 69 - QD1 ILE 11 far 0 79 0 - 6.2-7.5 QG2 VAL 102 - QD1 ILE 23 far 0 65 0 - 6.3-6.6 QD1 LEU 109 - QD1 ILE 11 far 0 55 0 - 6.9-16.6 QG2 VAL 102 - QD1 ILE 11 far 0 58 0 - 7.5-8.0 QD1 LEU 17 - QD1 ILE 23 far 0 71 0 - 8.1-8.5 QD2 LEU 36 - QD1 ILE 23 far 0 98 0 - 8.2-8.7 QG2 VAL 6 - QD1 ILE 11 far 0 60 0 - 8.4-9.5 QD1 ILE 67 - QD1 ILE 23 far 0 100 0 - 8.6-8.8 HB3 LEU 55 - QD1 ILE 11 far 0 62 0 - 8.8-10.9 QD1 ILE 11 - QD1 ILE 23 far 0 63 0 - 9.0-10.2 QG2 ILE 23 - QD1 ILE 11 far 0 95 0 - 9.4-10.2 HB3 LEU 55 - QD1 ILE 23 far 0 70 0 - 9.5-9.8 QG1 VAL 6 - QD1 ILE 11 far 0 51 0 - 9.7-11.6 HG LEU 15 - QD1 ILE 23 far 0 61 0 - 9.8-10.3 QD2 LEU 17 - QD1 ILE 23 far 0 57 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 647 from cnoeabs.peaks (1.72, 0.75, 13.70 ppm; 2.88 A): 1 out of 10 assignments used, quality = 1.00: * HG12 ILE 23 + QD1 ILE 23 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 25 - QD1 ILE 23 far 0 98 0 - 5.5-6.1 HB3 LEU 36 - QD1 ILE 11 far 0 76 0 - 5.5-7.4 HB VAL 25 - QD1 ILE 11 far 0 91 0 - 6.3-7.9 HG LEU 55 - QD1 ILE 23 far 0 88 0 - 7.1-7.4 HB3 PRO 35 - QD1 ILE 11 far 0 58 0 - 7.4-8.6 HG LEU 55 - QD1 ILE 11 far 0 80 0 - 8.7-10.6 HB3 LEU 36 - QD1 ILE 23 far 0 84 0 - 8.8-9.4 HB3 ARG 66 - QD1 ILE 23 far 0 100 0 - 9.2-10.5 HB3 ARG 66 - QD1 ILE 11 far 0 95 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 648 from cnoeabs.peaks (1.23, 0.75, 13.70 ppm; 2.84 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 23 + QD1 ILE 23 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 52 - QD1 ILE 23 far 0 96 0 - 6.2-7.7 HB3 LEU 15 - QD1 ILE 23 far 0 100 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 649 from cnoeabs.peaks (0.75, 0.75, 13.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 23 + QD1 ILE 23 OK 100 100 - 100 QD1 ILE 11 + QD1 ILE 11 OK 92 92 - 100 Peak 650 from cnoeabs.peaks (8.92, 0.75, 13.70 ppm; 4.26 A increased from 4.01 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 24 + QD1 ILE 23 OK 100 100 100 100 3.9-4.2 6297=88, 6294/625=79...(13) H LEU 15 - QD1 ILE 23 far 0 82 0 - 6.5-6.8 H ASN 71 - QD1 ILE 23 far 0 92 0 - 7.4-7.6 H ALA 24 - QD1 ILE 11 far 0 95 0 - 7.9-8.9 H GLY 30 - QD1 ILE 11 far 0 88 0 - 8.3-8.7 H TRP 80 - QD1 ILE 23 far 0 61 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 651 from cnoeabs.peaks (8.92, 4.25, 50.30 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 24 + HA ALA 24 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 15 - HA ALA 24 far 0 82 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 652 from cnoeabs.peaks (4.25, 4.25, 50.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 24 + HA ALA 24 OK 100 100 - 100 Peak 653 from cnoeabs.peaks (0.20, 4.25, 50.30 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 24 + HA ALA 24 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 102 - HA ALA 24 far 0 79 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 654 from cnoeabs.peaks (7.45, 4.25, 50.30 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 25 + HA ALA 24 OK 100 100 100 100 2.1-2.5 6303=100, 6304/2.1=67...(11) Violated in 0 structures by 0.00 A. Peak 655 from cnoeabs.peaks (8.92, 0.20, 23.38 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 24 + QB ALA 24 OK 100 100 100 100 2.8-2.8 2.9=100 H LEU 15 - QB ALA 24 far 0 82 0 - 4.7-5.2 Violated in 0 structures by 0.00 A. Peak 656 from cnoeabs.peaks (4.25, 0.20, 23.38 ppm; 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 24 + QB ALA 24 OK 100 100 100 100 2.1-2.1 2.1=100 HA SER 38 - QB ALA 24 lone 8 98 100 9 3.4-3.8 10741/8147=6, 9183/10312=2 HA ALA 47 - QB ALA 24 far 0 85 0 - 7.1-7.5 HA VAL 102 - QB ALA 24 far 0 99 0 - 7.2-8.2 HA LEU 109 - QB ALA 24 far 0 100 0 - 8.0-13.6 Violated in 0 structures by 0.00 A. Peak 657 from cnoeabs.peaks (0.20, 0.20, 23.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 24 + QB ALA 24 OK 100 100 - 100 Peak 658 from cnoeabs.peaks (7.45, 0.20, 23.38 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 25 + QB ALA 24 OK 100 100 100 100 2.2-3.3 3.5=100 HZ3 TRP 16 - QB ALA 24 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 659 from cnoeabs.peaks (7.45, 5.11, 60.23 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 25 + HA VAL 25 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 660 from cnoeabs.peaks (5.11, 5.11, 60.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + HA VAL 25 OK 100 100 - 100 Peak 661 from cnoeabs.peaks (1.71, 5.11, 60.23 ppm; 5.30 A): 2 out of 5 assignments used, quality = 1.00: * HB VAL 25 + HA VAL 25 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 36 + HA VAL 25 OK 58 59 100 98 5.2-5.3 ~8945=66, ~8944=50...(9) HG12 ILE 23 - HA VAL 25 far 0 98 0 - 6.4-6.8 HG LEU 55 - HA VAL 25 far 0 65 0 - 6.8-7.4 HB3 ARG 66 - HA VAL 25 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 662 from cnoeabs.peaks (0.85, 5.11, 60.23 ppm; 3.39 A): 3 out of 6 assignments used, quality = 1.00: * QG2 VAL 25 + HA VAL 25 OK 100 100 100 100 2.0-2.1 3.2=100 QD1 LEU 12 + HA VAL 25 OK 83 100 100 83 3.3-3.6 672=39, 3.8/10292=37...(8) QD1 LEU 51 + HA VAL 25 OK 45 99 55 83 3.8-4.1 680/678=30, 668/3.0=28...(12) QG2 ILE 11 - HA VAL 25 far 0 100 0 - 5.2-5.4 QG1 VAL 103 - HA VAL 25 far 0 87 0 - 5.3-7.0 QG2 VAL 102 - HA VAL 25 far 0 99 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 663 from cnoeabs.peaks (0.97, 5.11, 60.23 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 25 + HA VAL 25 OK 100 100 100 100 2.7-2.7 3.2=100 QG2 THR 37 - HA VAL 25 far 0 90 0 - 4.6-5.1 HG13 ILE 28 - HA VAL 25 far 0 91 0 - 8.0-8.3 QG1 VAL 14 - HA VAL 25 far 0 82 0 - 8.5-8.7 QG1 VAL 76 - HA VAL 25 far 0 70 0 - 9.0-9.1 HB2 LEU 15 - HA VAL 25 far 0 94 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 664 from cnoeabs.peaks (9.00, 5.11, 60.23 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 26 + HA VAL 25 OK 100 100 100 100 2.1-2.1 6312=100, 6315/678=57...(11) H ILE 11 - HA VAL 25 far 0 73 0 - 4.1-4.4 H SER 34 - HA VAL 25 far 0 98 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 665 from cnoeabs.peaks (7.45, 1.71, 35.27 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 25 + HB VAL 25 OK 100 100 100 100 2.2-2.7 6306=100, 671/2.1=41...(9) HZ2 TRP 16 - HB3 LYS 88 far 0 79 0 - 5.1-6.4 HE22 GLN 89 - HB3 LYS 88 far 0 85 0 - 5.1-10.0 HZ3 TRP 16 - HB3 LYS 88 far 0 92 0 - 8.7-9.7 HZ2 TRP 60 - HB VAL 25 far 0 98 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 666 from cnoeabs.peaks (5.11, 1.71, 35.27 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + HB VAL 25 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 667 from cnoeabs.peaks (1.71, 1.71, 35.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 25 + HB VAL 25 OK 100 100 - 100 HB3 LYS 88 + HB3 LYS 88 OK 84 84 - 100 Peak 668 from cnoeabs.peaks (0.85, 1.71, 35.27 ppm; 3.03 A): 2 out of 8 assignments used, quality = 1.00: * QG2 VAL 25 + HB VAL 25 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 51 + HB VAL 25 OK 92 99 100 93 1.7-1.9 673=34, 680/2.1=33...(20) QD1 LEU 12 - HB VAL 25 far 0 100 0 - 4.2-4.5 HB2 LYS 84 - HB3 LYS 88 far 0 91 0 - 6.9-8.3 QG2 ILE 11 - HB VAL 25 far 0 100 0 - 7.4-7.6 QG1 VAL 103 - HB VAL 25 far 0 87 0 - 7.7-9.4 QG2 VAL 102 - HB VAL 25 far 0 99 0 - 8.8-9.2 HD2 LYS 98 - HB3 LYS 88 far 0 82 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 669 from cnoeabs.peaks (0.97, 1.71, 35.27 ppm; 2.92 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 25 + HB VAL 25 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 37 + HB VAL 25 OK 71 90 100 79 2.4-3.0 8263=32, 8266/6306=27...(13) HG3 LYS 52 - HB VAL 25 far 0 68 0 - 8.6-10.0 QG1 VAL 76 - HB3 LYS 88 far 0 60 0 - 9.5-10.5 HG13 ILE 28 - HB VAL 25 far 0 91 0 - 9.8-10.1 QG1 VAL 14 - HB VAL 25 far 0 82 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 670 from cnoeabs.peaks (9.00, 1.71, 35.27 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 26 + HB VAL 25 OK 100 100 100 100 4.4-4.5 4.4=100 H ILE 11 - HB VAL 25 far 0 73 0 - 5.5-5.7 H SER 34 - HB VAL 25 far 0 98 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 671 from cnoeabs.peaks (7.45, 0.85, 24.01 ppm; 3.61 A increased from 3.39 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 25 + QG2 VAL 25 OK 99 100 100 99 3.0-3.6 4.0=73, 6306/2.1=70...(10) H VAL 25 + QD1 LEU 51 OK 74 83 100 90 2.5-3.7 6307=42, 6306/668=27...(10) H VAL 25 - QD1 LEU 12 far 5 99 5 - 4.0-4.8 HZ2 TRP 60 - QD1 LEU 51 far 0 78 0 - 8.2-8.6 HZ3 TRP 16 - QD1 LEU 12 far 0 98 0 - 8.4-9.1 HZ2 TRP 60 - QG2 VAL 25 far 0 98 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 672 from cnoeabs.peaks (5.11, 0.85, 24.01 ppm; 3.02 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 25 + QG2 VAL 25 OK 99 100 100 99 2.0-2.1 3.2=84, 678/2.1=62...(11) HA VAL 25 + QD1 LEU 12 OK 63 99 90 71 3.3-3.6 10292/3.8=28, 662=26...(8) HA VAL 25 - QD1 LEU 51 far 0 83 0 - 3.8-4.1 HA PHE 99 - QD1 LEU 12 far 0 99 0 - 8.8-9.3 HA ASP 46 - QD1 LEU 51 far 0 68 0 - 9.5-9.9 HA ASP 46 - QD1 LEU 12 far 0 86 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 673 from cnoeabs.peaks (1.71, 0.85, 24.01 ppm; 2.63 A): 3 out of 15 assignments used, quality = 1.00: * HB VAL 25 + QG2 VAL 25 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 25 + QD1 LEU 51 OK 71 83 100 85 1.7-1.9 668=31, 2.1/680=26...(20) HG LEU 55 + QD1 LEU 51 OK 38 47 100 81 2.1-2.7 2.1/8071=50, 2.1/8471=17...(14) HG12 ILE 23 - QD1 LEU 12 far 0 95 0 - 3.8-4.1 HG LEU 55 - QG2 VAL 25 far 0 65 0 - 4.0-4.4 HB VAL 25 - QD1 LEU 12 far 0 99 0 - 4.2-4.5 HG12 ILE 23 - QD1 LEU 51 far 0 78 0 - 4.3-4.8 HB3 LEU 36 - QD1 LEU 51 far 0 43 0 - 4.6-5.0 HG12 ILE 23 - QG2 VAL 25 far 0 98 0 - 4.8-5.1 HB3 LEU 36 - QG2 VAL 25 far 0 59 0 - 4.9-5.2 HB3 ARG 66 - QD1 LEU 51 far 0 81 0 - 5.8-6.3 HB3 ARG 66 - QG2 VAL 25 far 0 100 0 - 6.3-6.6 HG LEU 55 - QD1 LEU 12 far 0 62 0 - 6.5-7.1 HB3 LEU 36 - QD1 LEU 12 far 0 57 0 - 7.4-7.7 HB3 ARG 66 - QD1 LEU 12 far 0 98 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 674 from cnoeabs.peaks (0.85, 0.85, 24.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 VAL 25 + QG2 VAL 25 OK 100 100 - 100 QD1 LEU 12 + QD1 LEU 12 OK 99 99 - 100 QD1 LEU 51 + QD1 LEU 51 OK 80 80 - 100 Peak 675 from cnoeabs.peaks (0.97, 0.85, 24.01 ppm; 2.40 A): 3 out of 24 assignments used, quality = 1.00: * QG1 VAL 25 + QG2 VAL 25 OK 100 100 100 100 2.0-2.0 2.1=100 QG1 VAL 25 + QD1 LEU 51 OK 67 83 100 80 2.5-2.8 680=39, 2.1/668=18...(20) QG2 THR 37 + QD1 LEU 51 OK 59 68 100 86 2.2-2.5 8258/8071=25, 8257=23...(19) QG2 THR 37 - QG2 VAL 25 far 0 90 0 - 3.7-4.1 QG1 VAL 25 - QD1 LEU 12 far 0 99 0 - 4.4-4.7 QG1 VAL 76 - QD1 LEU 12 far 0 66 0 - 4.8-5.1 QG1 VAL 14 - QD1 LEU 12 far 0 79 0 - 5.2-5.7 HG3 LYS 52 - QD1 LEU 51 far 0 49 0 - 5.2-6.4 QG2 THR 37 - QD1 LEU 12 far 0 86 0 - 5.7-6.0 QG2 THR 74 - QD1 LEU 12 far 0 95 0 - 6.5-6.7 HG3 LYS 52 - QG2 VAL 25 far 0 68 0 - 6.6-8.3 HG3 LYS 52 - QD1 LEU 12 far 0 64 0 - 7.4-9.6 QG1 VAL 76 - QG2 VAL 25 far 0 70 0 - 7.5-7.7 QG1 VAL 14 - QG2 VAL 25 far 0 82 0 - 7.5-7.9 HB2 LEU 15 - QD1 LEU 12 far 0 91 0 - 7.7-8.3 HG13 ILE 28 - QG2 VAL 25 far 0 91 0 - 7.7-8.0 QG2 THR 74 - QG2 VAL 25 far 0 98 0 - 8.3-8.6 QG1 VAL 14 - QD1 LEU 51 far 0 61 0 - 8.5-8.9 QG1 VAL 76 - QD1 LEU 51 far 0 51 0 - 8.5-8.8 QG2 THR 74 - QD1 LEU 51 far 0 78 0 - 8.9-9.2 HB2 LEU 15 - QG2 VAL 25 far 0 94 0 - 9.3-9.8 HG13 ILE 28 - QD1 LEU 12 far 0 88 0 - 9.6-9.7 HB2 LEU 15 - QD1 LEU 51 far 0 73 0 - 9.7-10.4 HG13 ILE 28 - QD1 LEU 51 far 0 70 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 676 from cnoeabs.peaks (9.00, 0.85, 24.01 ppm; 3.65 A increased from 3.43 A): 2 out of 7 assignments used, quality = 1.00: * H ASP 26 + QG2 VAL 25 OK 100 100 100 100 3.5-3.6 6314=91, 6315/2.1=81...(10) H ILE 11 + QG2 VAL 25 OK 62 73 100 84 3.9-4.2 8756/2.1=56, 6089=25...(8) H ASP 26 - QD1 LEU 12 far 0 99 0 - 5.0-5.3 H ASP 26 - QD1 LEU 51 far 0 83 0 - 5.3-5.7 H ILE 11 - QD1 LEU 51 far 0 54 0 - 6.0-6.2 H ILE 11 - QD1 LEU 12 far 0 70 0 - 6.2-6.4 H SER 34 - QG2 VAL 25 far 0 98 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 677 from cnoeabs.peaks (7.45, 0.97, 22.57 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 25 + QG1 VAL 25 OK 100 100 100 100 3.5-3.6 4.0=100 HZ3 TRP 16 + QG1 VAL 14 OK 43 49 100 88 2.8-3.6 ~8816=37, 8840=29...(9) HZ2 TRP 16 - QG1 VAL 14 far 0 40 0 - 6.1-6.8 HZ2 TRP 60 - QG1 VAL 25 far 0 98 0 - 6.3-6.5 H GLY 97 - QG1 VAL 14 far 0 39 0 - 8.5-9.4 H VAL 25 - QG1 VAL 14 far 0 51 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 678 from cnoeabs.peaks (5.11, 0.97, 22.57 ppm; 3.03 A): 1 out of 4 assignments used, quality = 0.99: * HA VAL 25 + QG1 VAL 25 OK 99 100 100 99 2.7-2.7 3.2=85, 6312/6315=47...(14) HA PHE 99 - QG1 VAL 14 far 0 51 0 - 8.0-8.5 HA ASN 20 - QG1 VAL 14 far 0 51 0 - 8.1-8.3 HA VAL 25 - QG1 VAL 14 far 0 51 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 679 from cnoeabs.peaks (1.71, 0.97, 22.57 ppm; 2.88 A): 2 out of 8 assignments used, quality = 1.00: * HB VAL 25 + QG1 VAL 25 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 36 + QG1 VAL 25 OK 51 59 100 87 2.2-2.6 1.8/8945=43, 3.0/8944=34...(12) HG LEU 55 - QG1 VAL 25 far 0 65 0 - 3.6-3.9 HB3 ARG 66 - QG1 VAL 25 far 0 100 0 - 5.9-6.7 HG12 ILE 23 - QG1 VAL 14 far 0 47 0 - 6.6-7.1 HG12 ILE 23 - QG1 VAL 25 far 0 98 0 - 6.9-7.2 HB2 GLN 96 - QG1 VAL 14 far 0 45 0 - 8.2-9.1 HB VAL 25 - QG1 VAL 14 far 0 51 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 680 from cnoeabs.peaks (0.85, 0.97, 22.57 ppm; 2.50 A): 2 out of 19 assignments used, quality = 1.00: * QG2 VAL 25 + QG1 VAL 25 OK 100 100 100 100 2.0-2.0 2.1=100 QD1 LEU 51 + QG1 VAL 25 OK 80 99 100 80 2.5-2.8 675=30, 668/2.1=20...(20) QD1 LEU 12 - QG1 VAL 25 far 0 100 0 - 4.4-4.7 QG1 VAL 103 - QG1 VAL 14 far 0 38 0 - 4.5-6.0 QG2 VAL 102 - QG1 VAL 14 far 0 49 0 - 4.7-4.9 QD1 LEU 12 - QG1 VAL 14 far 0 51 0 - 5.2-5.7 QG2 ILE 11 - QG1 VAL 25 far 0 100 0 - 5.2-5.4 HG LEU 15 - QG1 VAL 14 far 0 50 0 - 5.4-5.6 QD1 LEU 17 - QG1 VAL 14 far 0 48 0 - 6.0-6.5 QG1 VAL 103 - QG1 VAL 25 far 0 87 0 - 6.3-7.8 QD2 LEU 17 - QG1 VAL 14 far 0 50 0 - 6.7-7.0 QD1 LEU 109 - QG1 VAL 14 far 0 50 0 - 7.0-13.4 QG2 VAL 25 - QG1 VAL 14 far 0 51 0 - 7.5-7.9 QG2 VAL 102 - QG1 VAL 25 far 0 99 0 - 7.6-7.9 HD2 LYS 98 - QG1 VAL 14 far 0 42 0 - 7.9-9.9 QG2 ILE 11 - QG1 VAL 14 far 0 50 0 - 8.1-8.3 QD1 LEU 51 - QG1 VAL 14 far 0 48 0 - 8.5-8.9 QG2 VAL 6 - QG1 VAL 25 far 0 99 0 - 8.6-9.8 QG1 VAL 6 - QG1 VAL 25 far 0 100 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 681 from cnoeabs.peaks (0.97, 0.97, 22.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 25 + QG1 VAL 25 OK 100 100 - 100 QG1 VAL 14 + QG1 VAL 14 OK 36 36 - 100 Peak 682 from cnoeabs.peaks (9.00, 0.97, 22.57 ppm; 3.07 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 26 + QG1 VAL 25 OK 100 100 100 100 2.7-2.9 6315=98, 6312/678=49...(14) H ILE 11 + QG1 VAL 25 OK 67 73 100 91 2.5-2.7 8756=60, 4.5/8968=26...(13) H SER 34 - QG1 VAL 25 far 0 98 0 - 6.7-7.2 H ASP 26 - QG1 VAL 14 far 0 51 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 683 from cnoeabs.peaks (9.00, 5.31, 52.61 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 26 + HA ASP 26 OK 100 100 100 100 2.9-2.9 3.0=100 H ILE 11 + HA ASP 26 OK 34 73 65 72 4.4-4.5 8756/8960=20...(9) H SER 34 - HA ASP 26 far 0 98 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. Peak 684 from cnoeabs.peaks (5.31, 5.31, 52.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 26 + HA ASP 26 OK 100 100 - 100 Peak 685 from cnoeabs.peaks (2.32, 5.31, 52.61 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASP 26 + HA ASP 26 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ASP 26 + HA ASP 26 OK 100 100 100 100 2.6-2.7 3.0=100 HG2 GLU 54 - HA ASP 26 far 0 84 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 686 from cnoeabs.peaks (2.33, 5.31, 52.61 ppm; 3.62 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASP 26 + HA ASP 26 OK 100 100 100 100 2.6-2.7 3.0=100 HB2 ASP 26 + HA ASP 26 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 54 - HA ASP 26 far 0 91 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 687 from cnoeabs.peaks (9.18, 5.31, 52.61 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 27 + HA ASP 26 OK 100 100 100 100 2.2-2.4 6322=100, 6323/3.0=52...(20) H LEU 12 - HA ASP 26 far 0 95 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 688 from cnoeabs.peaks (9.00, 2.32, 43.62 ppm; 3.71 A): 4 out of 6 assignments used, quality = 1.00: H ASP 26 + HB3 ASP 26 OK 96 100 100 96 3.5-3.6 4.0=78, 6317/1.8=39...(11) H SER 34 + HB3 ASP 26 OK 96 98 100 98 3.6-4.1 8216=69, 6426/8217=60...(6) * H ASP 26 + HB2 ASP 26 OK 96 100 100 96 2.2-2.3 4.0=78, 6317/1.8=40...(13) H ILE 11 + HB2 ASP 26 OK 62 73 100 85 3.8-4.1 4.0/8988=38, 4.0/8049=21...(10) H ILE 11 - HB3 ASP 26 far 4 73 5 - 4.2-4.6 H SER 34 - HB2 ASP 26 far 0 98 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 689 from cnoeabs.peaks (5.31, 2.32, 43.62 ppm; 3.87 A): 2 out of 4 assignments used, quality = 1.00: * HA ASP 26 + HB2 ASP 26 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASP 26 + HB3 ASP 26 OK 100 100 100 100 2.6-2.7 3.0=100 HA PHE 10 - HB3 ASP 26 far 0 99 0 - 5.0-5.2 HA PHE 10 - HB2 ASP 26 far 0 99 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 690 from cnoeabs.peaks (2.32, 2.32, 43.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 26 + HB2 ASP 26 OK 100 100 - 100 HB3 ASP 26 + HB3 ASP 26 OK 100 100 - 100 Peak 691 from cnoeabs.peaks (2.33, 2.32, 43.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 26 + HB3 ASP 26 OK 100 100 - 100 HB2 ASP 26 + HB2 ASP 26 OK 100 100 - 100 Reference assignment not found: HB3 ASP 26 - HB2 ASP 26 Peak 692 from cnoeabs.peaks (9.18, 2.32, 43.62 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: H GLN 27 + HB3 ASP 26 OK 100 100 100 100 2.6-3.2 6323=100, 6322/3.0=75...(12) * H GLN 27 + HB2 ASP 26 OK 100 100 100 100 3.9-4.3 6323/1.8=90, 6322/3.0=75...(11) H LEU 12 - HB2 ASP 26 far 5 95 5 - 4.5-4.7 H LEU 12 - HB3 ASP 26 far 0 94 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 693 from cnoeabs.peaks (9.00, 2.33, 43.62 ppm; 3.71 A): 4 out of 6 assignments used, quality = 1.00: H SER 34 + HB3 ASP 26 OK 97 98 100 99 3.6-4.1 8216=71, 6426/8217=60...(6) * H ASP 26 + HB3 ASP 26 OK 96 100 100 96 3.5-3.6 4.0=78, 6317/1.8=39...(11) H ASP 26 + HB2 ASP 26 OK 95 100 100 96 2.2-2.3 4.0=78, 6317/1.8=40...(13) H ILE 11 + HB2 ASP 26 OK 62 73 100 85 3.8-4.1 4.0/8988=38, 4.0/8049=22...(10) H ILE 11 - HB3 ASP 26 far 4 73 5 - 4.2-4.6 H SER 34 - HB2 ASP 26 far 0 98 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 694 from cnoeabs.peaks (5.31, 2.33, 43.62 ppm; 3.87 A): 2 out of 4 assignments used, quality = 1.00: * HA ASP 26 + HB3 ASP 26 OK 100 100 100 100 2.6-2.7 3.0=100 HA ASP 26 + HB2 ASP 26 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 10 - HB3 ASP 26 far 0 99 0 - 5.0-5.2 HA PHE 10 - HB2 ASP 26 far 0 99 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 695 from cnoeabs.peaks (2.32, 2.33, 43.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 26 + HB3 ASP 26 OK 100 100 - 100 HB2 ASP 26 + HB2 ASP 26 OK 100 100 - 100 Reference assignment not found: HB2 ASP 26 - HB3 ASP 26 Peak 696 from cnoeabs.peaks (2.33, 2.33, 43.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 26 + HB3 ASP 26 OK 100 100 - 100 HB2 ASP 26 + HB2 ASP 26 OK 100 100 - 100 Peak 697 from cnoeabs.peaks (9.18, 2.33, 43.62 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 27 + HB3 ASP 26 OK 100 100 100 100 2.6-3.2 6324=100, 6322/3.0=75...(12) H GLN 27 + HB2 ASP 26 OK 100 100 100 100 3.9-4.3 6323/1.8=90, 6322/3.0=75...(11) H LEU 12 - HB2 ASP 26 far 5 94 5 - 4.5-4.7 H LEU 12 - HB3 ASP 26 far 0 95 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 698 from cnoeabs.peaks (9.18, 5.03, 53.30 ppm; 4.70 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 27 + HA GLN 27 OK 100 100 100 100 2.9-2.9 2.9=100 H TRP 16 - HA LEU 17 poor 19 56 95 35 5.2-5.3 2.9/10302=20, 8845/4.0=18 HE1 TRP 80 - HA LEU 17 far 0 42 0 - 5.3-6.1 H LEU 12 - HA GLN 27 far 0 95 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 699 from cnoeabs.peaks (5.03, 5.03, 53.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 27 + HA GLN 27 OK 100 100 - 100 HA LEU 17 + HA LEU 17 OK 41 41 - 100 Peak 700 from cnoeabs.peaks (1.97, 5.03, 53.30 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.2-2.2 3.0=100 HB3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.8-2.9 3.0=100 HB VAL 69 - HA GLN 27 far 0 100 0 - 7.6-7.9 HB3 GLN 19 - HA LEU 17 far 0 55 0 - 8.3-9.0 HB2 GLU 54 - HA GLN 27 far 0 94 0 - 9.1-9.6 HG13 ILE 90 - HA LEU 17 far 0 46 0 - 9.3-11.2 HB3 GLN 89 - HA LEU 17 far 0 46 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 701 from cnoeabs.peaks (1.98, 5.03, 53.30 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.2-2.2 3.0=100 HB VAL 69 - HA GLN 27 far 0 100 0 - 7.6-7.9 HB3 GLN 19 - HA LEU 17 far 0 56 0 - 8.3-9.0 HB2 GLU 54 - HA GLN 27 far 0 91 0 - 9.1-9.6 HG13 ILE 90 - HA LEU 17 far 0 43 0 - 9.3-11.2 HB3 GLN 89 - HA LEU 17 far 0 43 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 702 from cnoeabs.peaks (2.07, 5.03, 53.30 ppm; 4.44 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HA GLN 27 OK 100 100 100 100 3.1-3.7 3.9=100 HG3 GLU 110 - HA LEU 17 far 0 46 0 - 6.9-21.9 QE MET 92 - HA LEU 17 far 0 30 0 - 8.7-9.7 HB2 TYR 39 - HA LEU 17 far 0 28 0 - 8.9-10.1 HG2 PRO 35 - HA GLN 27 far 0 99 0 - 9.5-9.6 Violated in 0 structures by 0.00 A. Peak 703 from cnoeabs.peaks (2.18, 5.03, 53.30 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 27 + HA GLN 27 OK 100 100 100 100 3.2-3.7 3.9=100 HB2 ASN 20 - HA LEU 17 far 0 41 0 - 6.6-7.6 HG2 GLU 110 - HA LEU 17 far 0 47 0 - 8.4-23.5 HB2 PRO 35 - HA GLN 27 far 0 100 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 706 from cnoeabs.peaks (8.52, 5.03, 53.30 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 28 + HA GLN 27 OK 100 100 100 100 2.1-2.2 6351=100, 8176/8045=39...(14) H SER 9 - HA GLN 27 far 0 98 0 - 5.4-5.6 Violated in 0 structures by 0.00 A. Peak 707 from cnoeabs.peaks (9.18, 1.97, 31.64 ppm; 3.66 A): 2 out of 7 assignments used, quality = 1.00: H GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-2.4 4.0=76, 6329/3.0=44...(19) * H GLN 27 + HB2 GLN 27 OK 100 100 100 100 3.3-3.7 4.0=76, 6329/3.0=44...(18) H LEU 12 - HB VAL 69 far 0 72 0 - 4.9-5.1 H GLN 27 - HB VAL 69 far 0 80 0 - 8.6-9.0 H LEU 12 - HB3 PRO 100 far 0 52 0 - 9.3-10.0 H LEU 12 - HB3 GLN 27 far 0 95 0 - 9.5-9.8 H LEU 12 - HB2 GLN 27 far 0 95 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 708 from cnoeabs.peaks (5.03, 1.97, 31.64 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-2.2 3.0=100 HA GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 35 - HB3 GLN 27 far 0 93 0 - 4.6-4.9 HA PRO 35 - HB2 GLN 27 far 0 93 0 - 6.2-6.6 HA GLN 27 - HB VAL 69 far 0 80 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 709 from cnoeabs.peaks (1.97, 1.97, 31.64 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 HB3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 89 89 - 100 HB VAL 69 + HB VAL 69 OK 80 80 - 100 HB3 PRO 100 + HB3 PRO 100 OK 49 49 - 100 Peak 710 from cnoeabs.peaks (1.98, 1.97, 31.64 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 89 89 - 100 HB VAL 69 + HB VAL 69 OK 79 79 - 100 HB3 PRO 100 + HB3 PRO 100 OK 52 52 - 100 Reference assignment not found: HB3 GLN 27 - HB2 GLN 27 Peak 711 from cnoeabs.peaks (2.07, 1.97, 31.64 ppm; 3.01 A increased from 2.83 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 PRO 35 - HB3 GLN 27 far 0 99 0 - 7.3-7.7 HG2 GLN 27 - HB2 LYS 31 far 0 89 0 - 8.7-9.8 HG2 PRO 35 - HB2 GLN 27 far 0 99 0 - 9.0-9.4 HG3 GLU 110 - HB2 LYS 31 far 0 76 0 - 9.4-28.6 Violated in 0 structures by 0.00 A. Peak 712 from cnoeabs.peaks (2.18, 1.97, 31.64 ppm; 3.20 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 PRO 35 - HB3 GLN 27 far 0 100 0 - 6.6-6.9 HB VAL 102 - HB3 PRO 100 far 0 58 0 - 7.4-7.7 HG2 GLU 110 - HB2 LYS 31 far 0 78 0 - 7.9-29.8 HB2 PRO 35 - HB2 GLN 27 far 0 100 0 - 8.3-8.6 HG3 GLN 27 - HB2 LYS 31 far 0 89 0 - 8.6-10.0 HB VAL 102 - HB VAL 69 far 0 80 0 - 9.5-9.8 HG3 GLN 96 - HB3 PRO 100 far 0 52 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 713 from cnoeabs.peaks (7.17, 1.97, 31.64 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: * HE21 GLN 27 + HB2 GLN 27 OK 100 100 100 100 3.7-4.1 4.5=97, 6339/3.0=85...(14) HE21 GLN 27 + HB3 GLN 27 OK 100 100 100 100 4.3-4.4 4.5=97, 6339/3.0=85...(13) HD1 TRP 60 - HB2 GLN 27 far 0 91 0 - 8.3-8.7 QD PHE 104 - HB3 PRO 100 far 0 59 0 - 8.7-9.2 HE21 GLN 27 - HB2 LYS 31 far 0 89 0 - 8.9-9.6 HD1 TRP 60 - HB3 GLN 27 far 0 90 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 715 from cnoeabs.peaks (8.52, 1.97, 31.64 ppm; 4.07 A): 2 out of 9 assignments used, quality = 1.00: * H ILE 28 + HB2 GLN 27 OK 100 100 100 100 3.8-4.1 6351/3.0=82, 4.6=68...(12) H ILE 28 + HB3 GLN 27 OK 100 100 100 100 4.6-4.6 6351/3.0=82, 4.6=68...(12) H SER 9 - HB2 GLN 27 far 0 98 0 - 5.9-6.5 H ILE 67 - HB VAL 69 far 0 67 0 - 7.0-7.1 H SER 9 - HB3 GLN 27 far 0 98 0 - 7.2-7.5 H ILE 28 - HB VAL 69 far 0 80 0 - 8.5-8.8 H VAL 14 - HB VAL 69 far 0 62 0 - 9.2-9.5 H GLU 56 - HB VAL 69 far 0 61 0 - 9.5-9.8 H SER 9 - HB2 LYS 31 far 0 85 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 716 from cnoeabs.peaks (9.18, 1.98, 31.64 ppm; 3.66 A): 2 out of 7 assignments used, quality = 1.00: * H GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-2.4 4.0=76, 6329/3.0=44...(19) H GLN 27 + HB2 GLN 27 OK 99 100 100 100 3.3-3.7 4.0=76, 6329/3.0=44...(18) H LEU 12 - HB VAL 69 far 0 71 0 - 4.9-5.1 H GLN 27 - HB VAL 69 far 0 80 0 - 8.6-9.0 H LEU 12 - HB3 PRO 100 far 0 54 0 - 9.3-10.0 H LEU 12 - HB3 GLN 27 far 0 95 0 - 9.5-9.8 H LEU 12 - HB2 GLN 27 far 0 95 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 717 from cnoeabs.peaks (5.03, 1.98, 31.64 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-2.2 3.0=100 HA PRO 35 - HB3 GLN 27 far 0 93 0 - 4.6-4.9 HA PRO 35 - HB2 GLN 27 far 0 93 0 - 6.2-6.6 HA GLN 27 - HB VAL 69 far 0 80 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 718 from cnoeabs.peaks (1.97, 1.98, 31.64 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 89 89 - 100 HB VAL 69 + HB VAL 69 OK 79 79 - 100 HB3 PRO 100 + HB3 PRO 100 OK 52 52 - 100 Reference assignment not found: HB2 GLN 27 - HB3 GLN 27 Peak 719 from cnoeabs.peaks (1.98, 1.98, 31.64 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 90 90 - 100 HB VAL 69 + HB VAL 69 OK 78 78 - 100 HB3 PRO 100 + HB3 PRO 100 OK 54 54 - 100 Peak 720 from cnoeabs.peaks (2.07, 1.98, 31.64 ppm; 3.01 A increased from 2.83 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 PRO 35 - HB3 GLN 27 far 0 99 0 - 7.3-7.7 HG2 GLN 27 - HB2 LYS 31 far 0 90 0 - 8.7-9.8 HG2 PRO 35 - HB2 GLN 27 far 0 99 0 - 9.0-9.4 HG3 GLU 110 - HB2 LYS 31 far 0 77 0 - 9.4-28.6 Violated in 0 structures by 0.00 A. Peak 721 from cnoeabs.peaks (2.18, 1.98, 31.64 ppm; 3.20 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PRO 35 - HB3 GLN 27 far 0 100 0 - 6.6-6.9 HB VAL 102 - HB3 PRO 100 far 0 61 0 - 7.4-7.7 HG2 GLU 110 - HB2 LYS 31 far 0 79 0 - 7.9-29.8 HB2 PRO 35 - HB2 GLN 27 far 0 100 0 - 8.3-8.6 HG3 GLN 27 - HB2 LYS 31 far 0 90 0 - 8.6-10.0 HB VAL 102 - HB VAL 69 far 0 79 0 - 9.5-9.8 HG3 GLN 96 - HB3 PRO 100 far 0 55 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 722 from cnoeabs.peaks (7.17, 1.98, 31.64 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: * HE21 GLN 27 + HB3 GLN 27 OK 100 100 100 100 4.3-4.4 4.5=97, 6339/3.0=85...(13) HE21 GLN 27 + HB2 GLN 27 OK 100 100 100 100 3.7-4.1 4.5=97, 6339/3.0=85...(14) HD1 TRP 60 - HB2 GLN 27 far 0 90 0 - 8.3-8.7 QD PHE 104 - HB3 PRO 100 far 0 62 0 - 8.7-9.2 HE21 GLN 27 - HB2 LYS 31 far 0 90 0 - 8.9-9.6 HD1 TRP 60 - HB3 GLN 27 far 0 91 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 724 from cnoeabs.peaks (8.52, 1.98, 31.64 ppm; 4.07 A): 2 out of 9 assignments used, quality = 1.00: H ILE 28 + HB2 GLN 27 OK 100 100 100 100 3.8-4.1 6351/3.0=82, 4.6=68...(12) * H ILE 28 + HB3 GLN 27 OK 100 100 100 100 4.6-4.6 6351/3.0=82, 4.6=68...(12) H SER 9 - HB2 GLN 27 far 0 98 0 - 5.9-6.5 H ILE 67 - HB VAL 69 far 0 66 0 - 7.0-7.1 H SER 9 - HB3 GLN 27 far 0 98 0 - 7.2-7.5 H ILE 28 - HB VAL 69 far 0 80 0 - 8.5-8.8 H VAL 14 - HB VAL 69 far 0 61 0 - 9.2-9.5 H GLU 56 - HB VAL 69 far 0 60 0 - 9.5-9.8 H SER 9 - HB2 LYS 31 far 0 85 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 725 from cnoeabs.peaks (9.18, 2.07, 33.17 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 27 + HG2 GLN 27 OK 100 100 100 100 3.1-4.5 6328=94, 6329/1.8=78...(16) Violated in 1 structures by 0.01 A. Peak 726 from cnoeabs.peaks (5.03, 2.07, 33.17 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 3.1-3.7 3.9=87, 735/1.8=72...(18) HA PRO 35 - HG2 GLN 27 far 0 93 0 - 5.2-7.3 Violated in 0 structures by 0.00 A. Peak 727 from cnoeabs.peaks (1.97, 2.07, 33.17 ppm; 3.11 A increased from 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 31 - HG2 GLN 27 far 0 100 0 - 8.7-9.8 HB VAL 6 - HG2 GLN 27 far 0 93 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 728 from cnoeabs.peaks (1.98, 2.07, 33.17 ppm; 3.11 A increased from 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 31 - HG2 GLN 27 far 0 100 0 - 8.7-9.8 HB VAL 6 - HG2 GLN 27 far 0 96 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 729 from cnoeabs.peaks (2.07, 2.07, 33.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 27 + HG2 GLN 27 OK 100 100 - 100 Peak 730 from cnoeabs.peaks (2.18, 2.07, 33.17 ppm; 2.70 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 35 - HG2 GLN 27 far 0 100 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 731 from cnoeabs.peaks (7.17, 2.07, 33.17 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.1-3.1 3.5=100 HD1 TRP 60 - HG2 GLN 27 far 0 91 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 732 from cnoeabs.peaks (6.69, 2.07, 33.17 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 27 + HG2 GLN 27 OK 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 733 from cnoeabs.peaks (8.52, 2.07, 33.17 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 28 + HG2 GLN 27 OK 100 100 100 100 3.7-4.4 6354=75, 742/1.8=71...(13) H SER 9 - HG2 GLN 27 far 0 98 0 - 4.8-6.4 Violated in 4 structures by 0.04 A. Peak 734 from cnoeabs.peaks (9.18, 2.18, 33.17 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 27 + HG3 GLN 27 OK 100 100 100 100 3.1-4.5 6329=100, 725/1.8=77...(16) H LEU 12 - HB VAL 102 far 0 93 0 - 6.6-6.8 H TRP 16 - HB VAL 102 far 0 99 0 - 9.1-9.9 Violated in 1 structures by 0.01 A. Peak 735 from cnoeabs.peaks (5.03, 2.18, 33.17 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 3.2-3.7 3.9=93, 726/1.8=77...(15) HA PRO 35 - HG3 GLN 27 far 0 93 0 - 5.2-7.3 Violated in 0 structures by 0.00 A. Peak 736 from cnoeabs.peaks (1.97, 2.18, 33.17 ppm; 3.17 A increased from 2.98 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLN 72 - HB VAL 102 far 0 93 0 - 4.7-5.1 HB3 GLU 101 - HB VAL 102 far 0 79 0 - 5.3-5.6 HG2 PRO 100 - HB VAL 102 far 0 96 0 - 7.0-7.4 HB3 PRO 100 - HB VAL 102 far 0 90 0 - 7.4-7.7 HG3 PRO 100 - HB VAL 102 far 0 96 0 - 7.9-8.3 HB2 LYS 31 - HG3 GLN 27 far 0 100 0 - 8.6-10.0 HB VAL 6 - HG3 GLN 27 far 0 93 0 - 8.6-11.3 HB VAL 69 - HB VAL 102 far 0 99 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 737 from cnoeabs.peaks (1.98, 2.18, 33.17 ppm; 3.17 A increased from 2.98 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 72 - HB VAL 102 far 0 96 0 - 4.7-5.1 HB3 GLU 101 - HB VAL 102 far 0 73 0 - 5.3-5.6 HG2 PRO 100 - HB VAL 102 far 0 94 0 - 7.0-7.4 HB3 PRO 100 - HB VAL 102 far 0 93 0 - 7.4-7.7 HG3 PRO 100 - HB VAL 102 far 0 94 0 - 7.9-8.3 HB2 LYS 31 - HG3 GLN 27 far 0 100 0 - 8.6-10.0 HB VAL 6 - HG3 GLN 27 far 0 96 0 - 8.6-11.3 HB VAL 69 - HB VAL 102 far 0 99 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 738 from cnoeabs.peaks (2.07, 2.18, 33.17 ppm; 2.64 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 35 - HG3 GLN 27 far 0 99 0 - 7.1-9.5 QE MET 92 - HB VAL 102 far 0 64 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 739 from cnoeabs.peaks (2.18, 2.18, 33.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 27 + HG3 GLN 27 OK 100 100 - 100 HB VAL 102 + HB VAL 102 OK 99 99 - 100 Peak 740 from cnoeabs.peaks (7.17, 2.18, 33.17 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.1-3.1 3.5=100 QD PHE 104 - HB VAL 102 far 10 99 10 - 4.1-4.8 HD1 TRP 60 - HG3 GLN 27 far 0 91 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 741 from cnoeabs.peaks (6.69, 2.18, 33.17 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 27 + HG3 GLN 27 OK 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 742 from cnoeabs.peaks (8.52, 2.18, 33.17 ppm; 4.34 A increased from 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 28 + HG3 GLN 27 OK 100 100 100 100 3.7-4.4 6355=99, 733/1.8=82...(11) H SER 9 - HG3 GLN 27 far 5 98 5 - 4.9-6.3 H VAL 14 - HB VAL 102 far 0 84 0 - 5.0-5.6 Violated in 3 structures by 0.00 A. Peak 743 from cnoeabs.peaks (8.52, 4.25, 61.29 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 28 + HA ILE 28 OK 100 100 100 100 2.8-2.8 3.0=100 H SER 9 - HA ILE 28 far 0 98 0 - 4.5-4.6 H VAL 14 - HA VAL 102 far 0 63 0 - 4.8-5.2 Violated in 0 structures by 0.00 A. Peak 744 from cnoeabs.peaks (4.25, 4.25, 61.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 28 + HA ILE 28 OK 100 100 - 100 HA VAL 102 + HA VAL 102 OK 78 78 - 100 Peak 745 from cnoeabs.peaks (1.62, 4.25, 61.29 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 28 + HA ILE 28 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 11 - HA VAL 102 far 0 78 0 - 5.7-6.0 HB ILE 11 - HA ILE 28 far 0 99 0 - 6.3-6.6 HB3 LYS 13 - HA VAL 102 far 0 70 0 - 6.6-7.6 Violated in 0 structures by 0.00 A. Peak 746 from cnoeabs.peaks (0.78, 4.25, 61.29 ppm; 2.82 A): 2 out of 11 assignments used, quality = 1.00: * QG2 ILE 28 + HA ILE 28 OK 100 100 100 100 2.4-2.5 3.2=69, 6369/750=49...(30) QD1 ILE 11 + HA ILE 28 OK 68 96 80 89 2.9-3.5 8743/3.0=25...(14) QG1 VAL 29 - HA ILE 28 far 0 77 0 - 5.4-5.4 QD1 ILE 11 - HA VAL 102 far 0 74 0 - 6.6-7.2 QD2 LEU 36 - HA ILE 28 far 0 99 0 - 6.8-7.0 QG2 ILE 23 - HA VAL 102 far 0 68 0 - 7.2-7.5 QG2 VAL 69 - HA VAL 102 far 0 81 0 - 7.8-8.0 QD1 ILE 23 - HA VAL 102 far 0 59 0 - 8.1-8.3 QD2 LEU 109 - HA ILE 28 far 0 81 0 - 8.3-21.6 QD2 LEU 109 - HA VAL 102 far 0 59 0 - 8.4-17.7 QG2 VAL 69 - HA ILE 28 far 0 100 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 747 from cnoeabs.peaks (1.27, 4.25, 61.29 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.99: * HG12 ILE 28 + HA ILE 28 OK 99 100 100 99 3.5-3.6 3.9=99 HB2 LYS 13 - HA VAL 102 far 0 43 0 - 6.9-7.5 HG12 ILE 28 - HA VAL 102 far 0 81 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 748 from cnoeabs.peaks (0.95, 4.25, 61.29 ppm; 3.56 A): 1 out of 7 assignments used, quality = 1.00: * HG13 ILE 28 + HA ILE 28 OK 100 100 100 100 2.3-2.3 776=96, 1.8/768=71...(28) QG1 VAL 76 - HA VAL 102 far 0 76 0 - 6.0-6.3 QG1 VAL 14 - HA VAL 102 far 0 80 0 - 6.1-6.4 QG1 VAL 25 - HA ILE 28 far 0 91 0 - 7.1-7.3 QG1 VAL 25 - HA VAL 102 far 0 68 0 - 7.7-8.0 QG2 THR 74 - HA VAL 102 far 0 80 0 - 9.7-10.1 HG13 ILE 28 - HA VAL 102 far 0 81 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 749 from cnoeabs.peaks (0.68, 4.25, 61.29 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 28 + HA ILE 28 OK 100 100 100 100 3.2-3.2 784=97, 9104/8221=63...(26) QD1 ILE 28 - HA VAL 102 far 0 81 0 - 8.3-8.6 QG2 VAL 21 - HA VAL 102 far 0 76 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 750 from cnoeabs.peaks (8.20, 4.25, 61.29 ppm; 2.80 A): 1 out of 3 assignments used, quality = 0.97: * H VAL 29 + HA ILE 28 OK 97 100 100 97 2.2-2.2 6367=53, 6369/3.2=41...(12) H PHE 10 - HA ILE 28 far 0 91 0 - 5.7-5.8 H LEU 70 - HA VAL 102 far 0 68 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 751 from cnoeabs.peaks (8.52, 1.62, 37.39 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 28 + HB ILE 28 OK 100 100 100 100 2.4-2.5 6359=100, 6361/3.0=45...(21) H SER 9 + HB ILE 28 OK 90 98 100 92 2.3-2.5 2.9/8704=41...(11) Violated in 0 structures by 0.00 A. Peak 752 from cnoeabs.peaks (4.25, 1.62, 37.39 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 28 + HB ILE 28 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 29 - HB ILE 28 far 0 95 0 - 4.7-4.8 Violated in 0 structures by 0.00 A. Peak 753 from cnoeabs.peaks (1.62, 1.62, 37.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 28 + HB ILE 28 OK 100 100 - 100 Peak 754 from cnoeabs.peaks (0.78, 1.62, 37.39 ppm; 2.70 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 28 + HB ILE 28 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 11 - HB ILE 28 far 0 96 0 - 3.8-4.6 QG1 VAL 29 - HB ILE 28 far 0 77 0 - 6.3-6.4 QD2 LEU 36 - HB ILE 28 far 0 99 0 - 6.7-6.9 QG2 VAL 69 - HB ILE 28 far 0 100 0 - 8.8-9.0 QD2 LEU 109 - HB ILE 28 far 0 81 0 - 10.0-23.4 Violated in 0 structures by 0.00 A. Peak 755 from cnoeabs.peaks (1.27, 1.62, 37.39 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 28 + HB ILE 28 OK 100 100 100 100 2.2-2.2 3.0=100 Violated in 0 structures by 0.00 A. Peak 756 from cnoeabs.peaks (0.95, 1.62, 37.39 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 28 + HB ILE 28 OK 100 100 100 100 2.9-2.9 3.0=100 QG1 VAL 25 - HB ILE 28 far 0 91 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 757 from cnoeabs.peaks (0.68, 1.62, 37.39 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 28 + HB ILE 28 OK 100 100 100 100 2.9-2.9 785=100, 749/3.0=43...(29) Violated in 0 structures by 0.00 A. Peak 758 from cnoeabs.peaks (8.20, 1.62, 37.39 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 29 + HB ILE 28 OK 100 100 100 100 4.0-4.1 6368=99, 6369/2.1=97...(10) H PHE 10 + HB ILE 28 OK 91 91 100 100 3.3-3.4 6069/8704=68, 8710=67...(17) Violated in 0 structures by 0.00 A. Peak 759 from cnoeabs.peaks (8.52, 0.78, 17.00 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 28 + QG2 ILE 28 OK 100 100 100 100 3.7-3.8 6359/2.1=77, 4.0=62...(18) H SER 9 + QG2 ILE 28 OK 93 98 100 94 2.7-2.9 751/2.1=35, 8034=35...(11) H VAL 14 - QG2 ILE 23 far 0 72 0 - 5.4-5.9 H ASP 46 - QG2 ILE 23 far 0 90 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 760 from cnoeabs.peaks (4.25, 0.78, 17.00 ppm; 2.91 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 28 + QG2 ILE 28 OK 100 100 100 100 2.4-2.5 3.2=76, 750/6369=52...(30) HA VAL 29 + QG2 ILE 28 OK 77 95 100 81 3.2-3.3 3.0/6369=49, ~6368=16...(12) HA ALA 47 - QG2 ILE 23 far 0 74 0 - 4.8-5.1 HA ALA 24 - QG2 ILE 23 far 0 91 0 - 5.4-5.4 HA ASN 87 - QG2 ILE 90 far 0 79 0 - 6.8-8.1 HB THR 74 - QG2 ILE 23 far 0 72 0 - 7.1-7.4 HA VAL 102 - QG2 ILE 23 far 0 88 0 - 7.2-7.5 HA SER 38 - QG2 ILE 23 far 0 87 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 761 from cnoeabs.peaks (1.62, 0.78, 17.00 ppm; 2.64 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 28 + QG2 ILE 28 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 13 - QG2 ILE 23 far 0 79 0 - 6.5-7.5 HB ILE 11 - QG2 ILE 28 far 0 99 0 - 6.6-6.7 HB2 GLN 50 - QG2 ILE 23 far 0 90 0 - 7.8-8.2 HB2 LEU 70 - QG2 ILE 23 far 0 85 0 - 8.0-8.2 HB3 PRO 43 - QG2 ILE 23 far 0 78 0 - 8.2-8.5 HB2 ARG 44 - QG2 ILE 23 far 0 91 0 - 8.3-8.9 HD3 LYS 31 - QG2 ILE 28 far 0 100 0 - 8.8-9.9 HD2 LYS 31 - QG2 ILE 28 far 0 100 0 - 8.8-9.9 HB ILE 11 - QG2 ILE 23 far 0 87 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 762 from cnoeabs.peaks (0.78, 0.78, 17.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 ILE 28 + QG2 ILE 28 OK 100 100 - 100 QG2 ILE 90 + QG2 ILE 90 OK 100 100 - 100 QG2 ILE 23 + QG2 ILE 23 OK 78 78 - 100 Peak 763 from cnoeabs.peaks (1.27, 0.78, 17.00 ppm; 3.05 A increased from 2.87 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 28 + QG2 ILE 28 OK 100 100 100 100 3.0-3.0 3.2=87, 1.8/778=38...(29) HB2 LEU 83 - QG2 ILE 90 far 0 72 0 - 4.0-5.8 HB2 LYS 13 - QG2 ILE 23 far 0 50 0 - 6.3-7.5 HD2 LYS 52 - QG2 ILE 23 far 0 71 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 764 from cnoeabs.peaks (0.95, 0.78, 17.00 ppm; 3.01 A increased from 2.67 A): 3 out of 10 assignments used, quality = 1.00: * HG13 ILE 28 + QG2 ILE 28 OK 100 100 100 100 2.9-2.9 3.2=84, 1.8/763=66...(28) QG1 VAL 76 + QG2 ILE 23 OK 69 86 100 81 3.1-3.3 10929=36, 8500/11149=36...(10) QG1 VAL 14 + QG2 ILE 23 OK 36 90 45 88 3.3-3.7 2.1/8140=29, 8814/3.2=27...(11) HB2 LEU 15 - QG2 ILE 23 far 0 90 0 - 5.5-6.1 QG2 THR 74 - QG2 ILE 23 far 0 89 0 - 6.7-7.0 QG1 VAL 25 - QG2 ILE 28 far 0 91 0 - 7.4-7.5 QG1 VAL 25 - QG2 ILE 23 far 0 78 0 - 7.4-7.9 QG1 VAL 76 - QG2 ILE 90 far 0 97 0 - 8.1-9.0 QG1 VAL 14 - QG2 ILE 90 far 0 99 0 - 8.5-9.5 HG3 LYS 52 - QG2 ILE 23 far 0 85 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 765 from cnoeabs.peaks (0.68, 0.78, 17.00 ppm; 2.40 A): 3 out of 5 assignments used, quality = 1.00: * QD1 ILE 28 + QG2 ILE 28 OK 98 100 100 98 1.7-1.7 786=43, 2.1/763=38...(29) QD1 ILE 90 + QG2 ILE 90 OK 66 88 100 74 2.0-2.9 3.2=42, 2.1/2563=14...(17) QG2 VAL 21 + QG2 ILE 23 OK 57 85 100 67 2.7-2.8 11149=42, 2.1/8141=19...(8) QG2 VAL 21 - QG2 ILE 90 far 0 96 0 - 8.8-9.5 QD1 ILE 90 - QG2 ILE 23 far 0 76 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 766 from cnoeabs.peaks (8.20, 0.78, 17.00 ppm; 3.07 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 29 + QG2 ILE 28 OK 100 100 100 100 2.2-2.4 6369=100, 750/3.2=49...(14) H PHE 10 - QG2 ILE 28 far 0 91 0 - 4.5-4.6 HE3 TRP 42 - QG2 ILE 23 far 0 62 0 - 6.0-6.5 H PHE 79 - QG2 ILE 23 far 0 56 0 - 7.0-7.3 H LEU 70 - QG2 ILE 23 far 0 78 0 - 8.6-8.7 H PHE 79 - QG2 ILE 90 far 0 66 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 767 from cnoeabs.peaks (8.52, 1.27, 27.47 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 28 + HG12 ILE 28 OK 100 100 100 100 2.7-2.8 6361=100, 6362/1.8=71...(22) H SER 9 - HG12 ILE 28 far 0 98 0 - 4.4-4.6 Violated in 0 structures by 0.00 A. Peak 768 from cnoeabs.peaks (4.25, 1.27, 27.47 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 28 + HG12 ILE 28 OK 100 100 100 100 3.5-3.6 747=81, 748/1.8=75...(29) HA VAL 29 - HG12 ILE 28 far 0 95 0 - 6.7-6.8 HA VAL 102 - HG12 ILE 28 far 0 99 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 769 from cnoeabs.peaks (1.62, 1.27, 27.47 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 28 + HG12 ILE 28 OK 100 100 100 100 2.2-2.2 3.0=100 HB ILE 11 - HG12 ILE 28 far 0 99 0 - 5.0-5.1 Violated in 0 structures by 0.00 A. Peak 770 from cnoeabs.peaks (0.78, 1.27, 27.47 ppm; 3.04 A increased from 2.87 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 28 + HG12 ILE 28 OK 100 100 100 100 3.0-3.0 763=100, 778/1.8=38...(29) QD1 ILE 11 + HG12 ILE 28 OK 95 96 100 99 2.8-3.4 2.1/8766=41...(17) QD2 LEU 36 - HG12 ILE 28 far 0 99 0 - 6.8-7.0 QG1 VAL 29 - HG12 ILE 28 far 0 77 0 - 7.9-7.9 QG2 VAL 69 - HG12 ILE 28 far 0 100 0 - 7.9-8.1 QD2 LEU 109 - HG12 ILE 28 far 0 81 0 - 8.8-22.2 Violated in 0 structures by 0.00 A. Peak 771 from cnoeabs.peaks (1.27, 1.27, 27.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 28 + HG12 ILE 28 OK 100 100 - 100 Peak 772 from cnoeabs.peaks (0.95, 1.27, 27.47 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 28 + HG12 ILE 28 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 25 - HG12 ILE 28 far 0 91 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 773 from cnoeabs.peaks (0.68, 1.27, 27.47 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 28 + HG12 ILE 28 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 774 from cnoeabs.peaks (8.20, 1.27, 27.47 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.91: H PHE 10 + HG12 ILE 28 OK 91 91 100 100 2.8-2.9 8043/2.1=62, 8707/1.8=62...(19) ! H VAL 29 - HG12 ILE 28 far 0 100 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 775 from cnoeabs.peaks (8.52, 0.95, 27.47 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 28 + HG13 ILE 28 OK 100 100 100 100 2.7-2.8 6362=100, 6361/1.8=81...(20) H SER 9 - HG13 ILE 28 far 0 98 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 776 from cnoeabs.peaks (4.25, 0.95, 27.47 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 28 + HG13 ILE 28 OK 100 100 100 100 2.3-2.3 748=100, 768/1.8=72...(28) HA VAL 29 - HG13 ILE 28 far 0 95 0 - 6.3-6.4 HA VAL 102 - HG13 ILE 28 far 0 99 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 777 from cnoeabs.peaks (1.62, 0.95, 27.47 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 28 + HG13 ILE 28 OK 100 100 100 100 2.9-2.9 3.0=100 HB ILE 11 - HG13 ILE 28 far 0 99 0 - 4.6-4.7 Violated in 0 structures by 0.00 A. Peak 778 from cnoeabs.peaks (0.78, 0.95, 27.47 ppm; 2.89 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 28 + HG13 ILE 28 OK 100 100 100 100 2.9-2.9 3.2=74, 763/1.8=62...(28) QD1 ILE 11 + HG13 ILE 28 OK 93 96 100 97 2.0-2.3 770/1.8=30, 786/2.1=27...(17) QD2 LEU 36 - HG13 ILE 28 far 0 99 0 - 6.8-7.1 QG1 VAL 29 - HG13 ILE 28 far 0 77 0 - 7.2-7.3 QD2 LEU 109 - HG13 ILE 28 far 0 81 0 - 7.6-21.3 QG2 VAL 69 - HG13 ILE 28 far 0 100 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 779 from cnoeabs.peaks (1.27, 0.95, 27.47 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 28 + HG13 ILE 28 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 780 from cnoeabs.peaks (0.95, 0.95, 27.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 28 + HG13 ILE 28 OK 100 100 - 100 Peak 781 from cnoeabs.peaks (0.68, 0.95, 27.47 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 28 + HG13 ILE 28 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 782 from cnoeabs.peaks (8.20, 0.95, 27.47 ppm; 4.49 A increased from 4.22 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 29 + HG13 ILE 28 OK 100 100 100 100 4.2-4.3 6371=100, 6369/3.2=89...(10) H PHE 10 + HG13 ILE 28 OK 91 91 100 100 4.4-4.5 774/1.8=85, 8707=83...(18) Violated in 0 structures by 0.00 A. Peak 783 from cnoeabs.peaks (8.52, 0.68, 12.63 ppm; 4.16 A increased from 3.50 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 28 + QD1 ILE 28 OK 100 100 100 100 4.0-4.0 6363=97, 6361/2.1=89...(20) H SER 9 + QD1 ILE 28 OK 96 98 100 98 4.5-4.7 4.0/8040=58, 4.6/8043=39...(10) H VAL 14 - QD1 ILE 90 far 0 48 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 784 from cnoeabs.peaks (4.25, 0.68, 12.63 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 28 + QD1 ILE 28 OK 100 100 100 100 3.2-3.2 749=100, 8221/9104=64...(26) HA VAL 29 - QD1 ILE 28 far 0 95 0 - 5.8-5.8 HA VAL 102 - QD1 ILE 28 far 0 99 0 - 8.3-8.6 HA ASN 87 - QD1 ILE 90 far 0 45 0 - 8.8-10.1 HA LEU 109 - QD1 ILE 28 far 0 99 0 - 9.0-20.3 Violated in 0 structures by 0.00 A. Peak 785 from cnoeabs.peaks (1.62, 0.68, 12.63 ppm; 3.06 A increased from 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 28 + QD1 ILE 28 OK 100 100 100 100 2.9-2.9 757=96, 3.0/749=42...(29) HB ILE 11 - QD1 ILE 28 far 0 99 0 - 4.7-4.8 HB3 LYS 13 - QD1 ILE 28 far 0 92 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 786 from cnoeabs.peaks (0.78, 0.68, 12.63 ppm; 2.40 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 28 + QD1 ILE 28 OK 98 100 100 98 1.7-1.7 765=44, 763/2.1=38...(29) QD1 ILE 11 + QD1 ILE 28 OK 85 96 95 93 1.9-3.3 2.1/8552=35, 2.1/8763=29...(17) QG2 ILE 90 + QD1 ILE 90 OK 47 64 100 73 2.0-2.9 3.2=42, 2563/2.1=14...(17) QD2 LEU 109 - QD1 ILE 28 far 0 81 0 - 6.4-18.7 QG1 VAL 29 - QD1 ILE 28 far 0 77 0 - 6.4-6.5 QD2 LEU 36 - QD1 ILE 28 far 0 99 0 - 7.3-7.4 QG2 VAL 69 - QD1 ILE 28 far 0 100 0 - 8.0-8.2 QG2 ILE 23 - QD1 ILE 90 far 0 53 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 787 from cnoeabs.peaks (1.27, 0.68, 12.63 ppm; 2.78 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 28 + QD1 ILE 28 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 83 - QD1 ILE 90 far 0 40 0 - 4.8-6.1 HB2 LYS 13 - QD1 ILE 28 far 0 61 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 788 from cnoeabs.peaks (0.95, 0.68, 12.63 ppm; 2.77 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 28 + QD1 ILE 28 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 76 - QD1 ILE 90 far 0 60 0 - 5.9-6.7 QG1 VAL 14 - QD1 ILE 90 far 0 63 0 - 6.0-6.9 QG1 VAL 25 - QD1 ILE 28 far 0 91 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 789 from cnoeabs.peaks (0.68, 0.68, 12.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 28 + QD1 ILE 28 OK 100 100 - 100 QD1 ILE 90 + QD1 ILE 90 OK 52 52 - 100 Peak 790 from cnoeabs.peaks (8.20, 0.68, 12.63 ppm; 4.20 A increased from 3.74 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 29 + QD1 ILE 28 OK 100 100 100 100 4.0-4.1 6372=99, 6369/3.2=82...(12) H PHE 10 + QD1 ILE 28 OK 91 91 100 100 4.1-4.2 8043=81, 774/2.1=73...(20) H PHE 79 - QD1 ILE 90 far 0 36 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 791 from cnoeabs.peaks (8.20, 4.24, 60.60 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 29 + HA VAL 29 OK 100 100 100 100 2.9-2.9 3.0=100 H PHE 10 - HA VAL 29 far 0 91 0 - 7.7-7.8 H LEU 70 - HA VAL 102 far 0 63 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 792 from cnoeabs.peaks (4.24, 4.24, 60.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA VAL 29 + HA VAL 29 OK 100 100 - 100 HA VAL 102 + HA VAL 102 OK 74 74 - 100 Peak 793 from cnoeabs.peaks (1.81, 4.24, 60.60 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 29 + HA VAL 29 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 76 - HA VAL 102 far 0 48 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 794 from cnoeabs.peaks (0.72, 4.24, 60.60 ppm; 2.55 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 29 + HA VAL 29 OK 98 100 100 98 2.2-2.2 804=84, 2.1/810=51...(14) QG1 VAL 29 + HA VAL 29 OK 79 82 100 96 2.5-2.5 810=67, 2.1/804=52...(15) QD1 ILE 23 - HA VAL 102 far 0 52 0 - 8.1-8.3 QD2 LEU 109 - HA VAL 102 far 0 52 0 - 8.4-17.7 QG2 VAL 21 - HA VAL 102 far 0 52 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 795 from cnoeabs.peaks (0.75, 4.24, 60.60 ppm; 2.60 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 29 + HA VAL 29 OK 99 100 100 99 2.5-2.5 810=87, 2.1/804=54...(15) QG2 VAL 29 + HA VAL 29 OK 79 82 100 97 2.2-2.2 804=73, 2.1/810=53...(13) QG2 ILE 28 - HA VAL 29 far 4 77 5 - 3.2-3.3 QD1 ILE 11 - HA VAL 29 far 0 97 0 - 6.5-7.2 QD1 ILE 11 - HA VAL 102 far 0 70 0 - 6.6-7.2 QG2 VAL 69 - HA VAL 102 far 0 55 0 - 7.8-8.0 QD2 LEU 36 - HA VAL 29 far 0 61 0 - 8.0-8.2 QD1 ILE 23 - HA VAL 102 far 0 75 0 - 8.1-8.3 QD2 LEU 109 - HA VAL 102 far 0 75 0 - 8.4-17.7 Violated in 0 structures by 0.00 A. Peak 796 from cnoeabs.peaks (8.94, 4.24, 60.60 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 30 + HA VAL 29 OK 100 100 100 100 2.3-2.3 3.5=100 H ALA 24 - HA VAL 102 far 0 67 0 - 6.9-7.5 H ILE 11 - HA VAL 102 far 0 49 0 - 8.0-8.2 H ASN 71 - HA VAL 102 far 0 75 0 - 9.1-9.7 H ILE 11 - HA VAL 29 far 0 75 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 797 from cnoeabs.peaks (8.20, 1.81, 33.28 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + HB VAL 29 OK 100 100 100 100 2.7-2.8 6374=100, 803/2.1=60...(11) H PHE 10 - HB VAL 29 far 0 91 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 798 from cnoeabs.peaks (4.24, 1.81, 33.28 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 29 + HB VAL 29 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 28 - HB VAL 29 far 0 95 0 - 4.3-4.4 Violated in 0 structures by 0.00 A. Peak 799 from cnoeabs.peaks (1.81, 1.81, 33.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 29 + HB VAL 29 OK 100 100 - 100 Peak 800 from cnoeabs.peaks (0.72, 1.81, 33.28 ppm; 2.40 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 29 + HB VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 29 + HB VAL 29 OK 82 82 100 100 2.1-2.1 2.1=100 QD2 LEU 109 - HB VAL 29 far 0 79 0 - 9.7-23.1 Violated in 0 structures by 0.00 A. Peak 801 from cnoeabs.peaks (0.75, 1.81, 33.28 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 29 + HB VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 29 + HB VAL 29 OK 82 82 100 100 2.1-2.1 2.1=100 QG2 ILE 28 - HB VAL 29 far 0 77 0 - 4.4-4.5 QD1 ILE 11 - HB VAL 29 far 0 97 0 - 6.2-6.9 QD2 LEU 36 - HB VAL 29 far 0 61 0 - 8.5-8.6 QD2 LEU 109 - HB VAL 29 far 0 100 0 - 9.7-23.1 Violated in 0 structures by 0.00 A. Peak 803 from cnoeabs.peaks (8.20, 0.72, 20.00 ppm; 3.28 A increased from 3.08 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + QG2 VAL 29 OK 100 100 100 100 3.2-3.3 6374/2.1=70, 3.0/804=62...(13) H PHE 10 - QG2 VAL 29 far 0 91 0 - 7.1-7.2 Violated in 1 structures by 0.00 A. Peak 804 from cnoeabs.peaks (4.24, 0.72, 20.00 ppm; 2.70 A): 1 out of 2 assignments used, quality = 0.95: * HA VAL 29 + QG2 VAL 29 OK 95 100 100 95 2.2-2.2 3.2=60, 3.0/803=35...(15) HA ILE 28 - QG2 VAL 29 far 0 95 0 - 3.8-3.9 Violated in 0 structures by 0.00 A. Peak 805 from cnoeabs.peaks (1.81, 0.72, 20.00 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 29 + QG2 VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 110 - QG2 VAL 29 far 0 96 0 - 7.7-23.9 Violated in 0 structures by 0.00 A. Peak 806 from cnoeabs.peaks (0.72, 0.72, 20.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 29 + QG2 VAL 29 OK 100 100 - 100 Peak 807 from cnoeabs.peaks (0.75, 0.72, 20.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.82: QG2 VAL 29 + QG2 VAL 29 OK 82 82 - 100 Reference assignment not found: QG1 VAL 29 - QG2 VAL 29 Peak 809 from cnoeabs.peaks (8.20, 0.75, 20.64 ppm; 3.83 A increased from 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + QG1 VAL 29 OK 100 100 100 100 3.8-3.8 6374/2.1=86, 4.0=86...(13) H PHE 10 - QG1 VAL 29 far 0 91 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 810 from cnoeabs.peaks (4.24, 0.75, 20.64 ppm; 2.73 A): 1 out of 2 assignments used, quality = 0.95: * HA VAL 29 + QG1 VAL 29 OK 95 100 100 95 2.5-2.5 3.2=62, 794/2.1=35...(15) HA ILE 28 - QG1 VAL 29 far 0 95 0 - 5.4-5.4 Violated in 0 structures by 0.00 A. Peak 811 from cnoeabs.peaks (1.81, 0.75, 20.64 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 29 + QG1 VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 110 - QG1 VAL 29 far 0 96 0 - 8.2-25.1 Violated in 0 structures by 0.00 A. Peak 812 from cnoeabs.peaks (0.72, 0.75, 20.64 ppm; diagonal): 1 out of 1 assignment used, quality = 0.82: QG1 VAL 29 + QG1 VAL 29 OK 82 82 - 100 Reference assignment not found: QG2 VAL 29 - QG1 VAL 29 Peak 813 from cnoeabs.peaks (0.75, 0.75, 20.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 29 + QG1 VAL 29 OK 100 100 - 100 Peak 814 from cnoeabs.peaks (8.94, 0.75, 20.64 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 30 + QG1 VAL 29 OK 100 100 100 100 1.8-1.8 4.2=100 H ILE 11 - QG1 VAL 29 far 0 75 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 815 from cnoeabs.peaks (8.94, 3.61, 46.79 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 30 + HA2 GLY 30 OK 100 100 100 100 2.3-2.3 2.9=100 Violated in 0 structures by 0.00 A. Peak 816 from cnoeabs.peaks (3.61, 3.61, 46.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 30 + HA2 GLY 30 OK 100 100 - 100 Peak 817 from cnoeabs.peaks (3.92, 3.61, 46.79 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 30 + HA2 GLY 30 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 819 from cnoeabs.peaks (8.94, 3.92, 46.79 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 30 + HA3 GLY 30 OK 100 100 100 100 2.7-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 820 from cnoeabs.peaks (3.61, 3.92, 46.79 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 30 + HA3 GLY 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 9 - HA3 GLY 30 far 0 70 0 - 6.9-8.6 HB3 SER 9 - HA3 GLY 30 far 0 65 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 821 from cnoeabs.peaks (3.92, 3.92, 46.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 30 + HA3 GLY 30 OK 100 100 - 100 Peak 824 from cnoeabs.peaks (4.31, 4.31, 55.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + HA LYS 31 OK 100 100 - 100 Peak 825 from cnoeabs.peaks (1.98, 4.31, 55.72 ppm; 3.17 A increased from 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 826 from cnoeabs.peaks (1.67, 4.31, 55.72 ppm; 2.81 A): 1 out of 1 assignment used, quality = 0.97: * HB3 LYS 31 + HA LYS 31 OK 97 100 100 97 2.6-2.7 3.0=84, 3.0/828=45...(9) Violated in 0 structures by 0.00 A. Peak 827 from cnoeabs.peaks (1.42, 4.31, 55.72 ppm; 3.75 A increased from 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 100 100 3.5-3.6 857=100, 1.8/868=88...(13) Violated in 0 structures by 0.00 A. Peak 828 from cnoeabs.peaks (1.37, 4.31, 55.72 ppm; 2.77 A): 1 out of 1 assignment used, quality = 0.98: * HG3 LYS 31 + HA LYS 31 OK 98 100 100 98 2.1-2.3 868=69, 3.0/826=43...(13) Violated in 0 structures by 0.00 A. Peak 829 from cnoeabs.peaks (1.62, 4.31, 55.72 ppm; 2.88 A): 2 out of 2 assignments used, quality = 0.94: * HD2 LYS 31 + HA LYS 31 OK 77 100 80 96 3.3-4.4 3.0/828=47, 3.0/857=34...(18) HD3 LYS 31 + HA LYS 31 OK 72 100 75 96 3.3-4.4 3.0/828=47, 3.0/857=34...(18) Violated in 20 structures by 0.22 A. Peak 830 from cnoeabs.peaks (1.62, 4.31, 55.72 ppm; 2.88 A): 2 out of 2 assignments used, quality = 0.94: HD2 LYS 31 + HA LYS 31 OK 77 100 80 96 3.3-4.4 3.0/828=47, 3.0/857=34...(18) * HD3 LYS 31 + HA LYS 31 OK 72 100 75 96 3.3-4.4 3.0/828=47, 3.0/857=34...(18) Violated in 20 structures by 0.22 A. Peak 831 from cnoeabs.peaks (2.94, 4.31, 55.72 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.70: HE3 LYS 31 + HA LYS 31 OK 45 100 45 100 2.9-5.2 3.9/828=66, 3.9/857=54...(18) * HE2 LYS 31 + HA LYS 31 OK 45 100 45 100 2.7-5.2 3.9/828=66, 3.9/857=54...(18) Violated in 11 structures by 0.24 A. Peak 832 from cnoeabs.peaks (2.94, 4.31, 55.72 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.70: * HE3 LYS 31 + HA LYS 31 OK 45 100 45 100 2.9-5.2 3.9/828=66, 3.9/857=54...(18) HE2 LYS 31 + HA LYS 31 OK 45 100 45 100 2.7-5.2 3.9/828=66, 3.9/857=54...(18) Violated in 11 structures by 0.24 A. Peak 833 from cnoeabs.peaks (8.00, 4.31, 55.72 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + HA LYS 31 OK 100 100 100 100 3.4-3.5 3.6=98, 6405/826=47...(8) Violated in 0 structures by 0.00 A. Peak 835 from cnoeabs.peaks (4.31, 1.98, 31.91 ppm; 3.06 A increased from 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 836 from cnoeabs.peaks (1.98, 1.98, 31.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB3 GLN 27 + HB3 GLN 27 OK 90 90 - 100 HB2 GLN 27 + HB2 GLN 27 OK 89 89 - 100 HB3 PRO 100 + HB3 PRO 100 OK 85 85 - 100 Peak 837 from cnoeabs.peaks (1.67, 1.98, 31.91 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 25 - HB3 GLN 27 far 0 55 0 - 7.0-7.5 HB VAL 25 - HB2 GLN 27 far 0 54 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 838 from cnoeabs.peaks (1.42, 1.98, 31.91 ppm; 3.01 A): 3 out of 7 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-2.2 3.0=100 HB2 LEU 36 + HB3 GLN 27 OK 49 55 100 91 1.8-2.0 3.1/8253=21, 3.1/9169=17...(24) HB2 LEU 36 + HB2 GLN 27 OK 49 54 100 90 2.3-3.3 3.1/8253=21, 3.1/9169=17...(23) HG13 ILE 11 - HB3 GLN 27 far 0 90 0 - 6.0-7.9 HG13 ILE 11 - HB2 GLN 27 far 0 89 0 - 6.0-7.8 QB ALA 57 - HB2 GLN 27 far 0 80 0 - 9.6-10.1 QB ALA 57 - HB3 GLN 27 far 0 80 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 839 from cnoeabs.peaks (1.37, 1.98, 31.91 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.7-2.8 3.0=91, 828/3.0=47...(25) HD3 LYS 58 - HB2 GLN 27 far 0 87 0 - 5.8-7.2 HD3 LYS 58 - HB3 GLN 27 far 0 87 0 - 6.2-7.7 Violated in 0 structures by 0.00 A. Peak 840 from cnoeabs.peaks (1.62, 1.98, 31.91 ppm; 2.59 A): 0 out of 12 assignments used, quality = 0.00: HD3 LYS 31 - HB2 LYS 31 far 0 100 0 - 3.3-4.1 ! HD2 LYS 31 - HB2 LYS 31 far 0 100 0 - 3.3-4.1 HD2 LYS 58 - HB2 GLN 27 far 0 89 0 - 5.5-6.9 HB ILE 28 - HB2 GLN 27 far 0 89 0 - 5.8-6.2 HD2 LYS 58 - HB3 GLN 27 far 0 89 0 - 5.9-7.3 HB ILE 28 - HB3 GLN 27 far 0 89 0 - 6.8-6.9 HB ILE 11 - HB3 GLN 27 far 0 88 0 - 7.7-7.9 HB ILE 11 - HB2 GLN 27 far 0 88 0 - 7.9-8.1 HB2 LEU 55 - HB2 GLN 27 far 0 77 0 - 8.6-9.0 HB2 LEU 55 - HB3 GLN 27 far 0 78 0 - 9.1-10.0 HB2 ARG 66 - HB2 GLN 27 far 0 54 0 - 9.2-9.8 HB ILE 28 - HB2 LYS 31 far 0 100 0 - 9.8-10.1 Violated in 20 structures by 0.51 A. Peak 841 from cnoeabs.peaks (1.62, 1.98, 31.91 ppm; 2.59 A): 0 out of 12 assignments used, quality = 0.00: ! HD3 LYS 31 - HB2 LYS 31 far 0 100 0 - 3.3-4.1 HD2 LYS 31 - HB2 LYS 31 far 0 100 0 - 3.3-4.1 HD2 LYS 58 - HB2 GLN 27 far 0 89 0 - 5.5-6.9 HB ILE 28 - HB2 GLN 27 far 0 89 0 - 5.8-6.2 HD2 LYS 58 - HB3 GLN 27 far 0 89 0 - 5.9-7.3 HB ILE 28 - HB3 GLN 27 far 0 89 0 - 6.8-6.9 HB ILE 11 - HB3 GLN 27 far 0 88 0 - 7.7-7.9 HB ILE 11 - HB2 GLN 27 far 0 88 0 - 7.9-8.1 HB2 LEU 55 - HB2 GLN 27 far 0 77 0 - 8.6-9.0 HB2 LEU 55 - HB3 GLN 27 far 0 78 0 - 9.1-10.0 HB2 ARG 66 - HB2 GLN 27 far 0 54 0 - 9.2-9.8 HB ILE 28 - HB2 LYS 31 far 0 100 0 - 9.8-10.1 Violated in 20 structures by 0.51 A. Peak 842 from cnoeabs.peaks (2.94, 1.98, 31.91 ppm; 5.07 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.8-4.6 5.2=93, 3.9/839=87...(38) HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.9-5.1 5.2=93, 3.9/839=87...(38) HB2 TRP 60 - HB2 GLN 27 far 0 72 0 - 9.2-9.5 HD3 ARG 66 - HB2 GLN 27 far 0 52 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 843 from cnoeabs.peaks (2.94, 1.98, 31.91 ppm; 5.07 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.8-4.6 5.2=93, 3.9/839=87...(38) * HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.9-5.1 5.2=93, 3.9/839=87...(38) HB2 TRP 60 - HB2 GLN 27 far 0 72 0 - 9.2-9.5 HD3 ARG 66 - HB2 GLN 27 far 0 52 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 844 from cnoeabs.peaks (8.00, 1.98, 31.91 ppm; 4.81 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 32 + HB2 LYS 31 OK 100 100 100 100 3.1-3.3 4.6=100 HD22 ASN 68 - HB2 GLN 27 far 0 87 0 - 9.2-9.8 H GLY 32 - HB3 GLN 27 far 0 90 0 - 9.7-10.1 H GLY 32 - HB2 GLN 27 far 0 89 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 846 from cnoeabs.peaks (4.31, 1.67, 31.91 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.6-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 847 from cnoeabs.peaks (1.98, 1.67, 31.91 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 6 - HB3 LYS 31 far 0 96 0 - 9.2-15.9 Violated in 0 structures by 0.00 A. Peak 848 from cnoeabs.peaks (1.67, 1.67, 31.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 PRO 43 + HB3 PRO 43 OK 49 49 - 100 Peak 849 from cnoeabs.peaks (1.42, 1.67, 31.91 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.7-2.8 3.0=100 QB ALA 47 - HB3 PRO 43 far 0 74 0 - 6.0-6.3 HB ILE 77 - HB3 PRO 43 far 0 39 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 850 from cnoeabs.peaks (1.37, 1.67, 31.91 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.9-2.9 3.0=100 HD3 LYS 84 - HB3 PRO 43 far 0 75 0 - 8.1-12.2 HG3 LYS 84 - HB3 PRO 43 far 0 74 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 851 from cnoeabs.peaks (1.62, 1.67, 31.91 ppm; 2.53 A): 2 out of 3 assignments used, quality = 0.74: HD3 LYS 31 + HB3 LYS 31 OK 54 100 55 98 1.9-3.2 892=55, 1.8/881=29...(38) * HD2 LYS 31 + HB3 LYS 31 OK 44 100 45 98 2.0-3.3 881=45, 1.8/881=36...(38) HB2 ARG 44 - HB3 PRO 43 far 0 75 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 852 from cnoeabs.peaks (1.62, 1.67, 31.91 ppm; 2.53 A): 2 out of 3 assignments used, quality = 0.74: * HD3 LYS 31 + HB3 LYS 31 OK 54 100 55 98 1.9-3.2 892=55, 1.8/881=29...(38) HD2 LYS 31 + HB3 LYS 31 OK 44 100 45 98 2.0-3.3 881=45, 1.8/881=36...(38) HB2 ARG 44 - HB3 PRO 43 far 0 75 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 853 from cnoeabs.peaks (2.94, 1.67, 31.91 ppm; 5.22 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 3.3-4.2 5.2=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 3.4-4.2 5.2=100 HD3 ARG 44 - HB3 PRO 43 far 0 53 0 - 6.1-10.0 HD2 ARG 44 - HB3 PRO 43 far 0 55 0 - 6.5-9.3 Violated in 0 structures by 0.00 A. Peak 854 from cnoeabs.peaks (2.94, 1.67, 31.91 ppm; 5.22 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 3.3-4.2 5.2=100 * HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 3.4-4.2 5.2=100 HD3 ARG 44 - HB3 PRO 43 far 0 53 0 - 6.1-10.0 HD2 ARG 44 - HB3 PRO 43 far 0 55 0 - 6.5-9.3 Violated in 0 structures by 0.00 A. Peak 855 from cnoeabs.peaks (8.00, 1.67, 31.91 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + HB3 LYS 31 OK 100 100 100 100 3.6-3.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 857 from cnoeabs.peaks (4.31, 1.42, 24.63 ppm; 3.67 A increased from 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 100 100 100 100 3.5-3.6 828/1.8=93, 827=93...(13) Violated in 0 structures by 0.00 A. Peak 858 from cnoeabs.peaks (1.98, 1.42, 24.63 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-2.2 3.0=100 HB VAL 6 - HG2 LYS 31 far 0 96 0 - 9.6-17.3 Violated in 0 structures by 0.00 A. Peak 859 from cnoeabs.peaks (1.67, 1.42, 24.63 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 860 from cnoeabs.peaks (1.42, 1.42, 24.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 Peak 861 from cnoeabs.peaks (1.37, 1.42, 24.63 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 862 from cnoeabs.peaks (1.62, 1.42, 24.63 ppm; 2.92 A increased from 2.59 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=96, 883/1.8=27...(33) HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=96, 892/3.0=30...(33) Violated in 0 structures by 0.00 A. Peak 863 from cnoeabs.peaks (1.62, 1.42, 24.63 ppm; 2.92 A increased from 2.59 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=96, 883/1.8=27...(33) * HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=96, 892/3.0=30...(33) Violated in 0 structures by 0.00 A. Peak 864 from cnoeabs.peaks (2.94, 1.42, 24.63 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.9 3.9=70, 914/3.0=38...(34) HE3 LYS 31 + HG2 LYS 31 OK 90 100 90 100 2.3-4.1 3.9=70, 3.0/863=32...(34) Violated in 0 structures by 0.00 A. Peak 865 from cnoeabs.peaks (2.94, 1.42, 24.63 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.9 3.9=70, 914/3.0=38...(34) * HE3 LYS 31 + HG2 LYS 31 OK 90 100 90 100 2.3-4.1 3.9=70, 3.0/863=32...(34) Violated in 0 structures by 0.00 A. Peak 866 from cnoeabs.peaks (8.00, 1.42, 24.63 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + HG2 LYS 31 OK 100 100 100 100 5.0-5.4 6406=100, 6407/1.8=97...(6) Violated in 0 structures by 0.00 A. Peak 868 from cnoeabs.peaks (4.31, 1.37, 24.63 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-2.3 828=100, 826/3.0=55...(13) Violated in 0 structures by 0.00 A. Peak 869 from cnoeabs.peaks (1.98, 1.37, 24.63 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.7-2.8 3.0=100 HB VAL 6 - HG3 LYS 31 far 0 96 0 - 9.5-17.3 Violated in 0 structures by 0.00 A. Peak 870 from cnoeabs.peaks (1.67, 1.37, 24.63 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 871 from cnoeabs.peaks (1.42, 1.37, 24.63 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 872 from cnoeabs.peaks (1.37, 1.37, 24.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 Peak 873 from cnoeabs.peaks (1.62, 1.37, 24.63 ppm; 2.89 A increased from 2.57 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=93, 3.6/839=37...(34) HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=93, 3.6/839=37...(34) Violated in 0 structures by 0.00 A. Peak 874 from cnoeabs.peaks (1.62, 1.37, 24.63 ppm; 2.89 A increased from 2.57 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=93, 3.6/839=37...(34) * HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=93, 3.6/839=37...(34) Violated in 0 structures by 0.00 A. Peak 875 from cnoeabs.peaks (2.94, 1.37, 24.63 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-3.7 3.9=68, 914/3.0=37...(31) HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-3.7 3.9=68, 3.0/873=32...(31) Violated in 0 structures by 0.00 A. Peak 876 from cnoeabs.peaks (2.94, 1.37, 24.63 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-3.7 3.9=68, 914/3.0=37...(31) * HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-3.7 3.9=68, 3.0/873=32...(31) Violated in 0 structures by 0.00 A. Peak 877 from cnoeabs.peaks (8.00, 1.37, 24.63 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + HG3 LYS 31 OK 100 100 100 100 4.7-5.0 6407=98, 833/828=93...(6) Violated in 0 structures by 0.00 A. Peak 879 from cnoeabs.peaks (4.31, 1.62, 28.68 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.95: * HA LYS 31 + HD2 LYS 31 OK 80 100 80 100 3.3-4.4 828/3.0=68, 826/3.6=56...(18) HA LYS 31 + HD3 LYS 31 OK 75 100 75 100 3.3-4.4 828/3.0=68, 826/3.6=56...(18) Violated in 0 structures by 0.00 A. Peak 880 from cnoeabs.peaks (1.98, 1.62, 28.68 ppm; 4.02 A increased from 3.21 A): 3 out of 10 assignments used, quality = 1.00: HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 3.3-4.1 3.6=100 * HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 3.3-4.1 3.6=100 HB3 GLU 63 + HG13 ILE 67 OK 48 48 100 100 3.8-4.1 3.0/1963=47, ~10469=38...(22) HB2 GLU 54 - HD2 LYS 58 far 4 85 5 - 4.3-6.0 HB2 GLN 27 - HD2 LYS 58 far 0 97 0 - 5.5-6.9 HB3 LEU 70 - HG13 ILE 67 far 0 58 0 - 5.9-6.1 HB3 GLN 27 - HD2 LYS 58 far 0 98 0 - 5.9-7.3 HB2 GLU 54 - HB2 GLN 50 far 0 89 0 - 6.5-7.3 HB VAL 69 - HG13 ILE 67 far 0 82 0 - 9.3-9.5 HB VAL 6 - HD3 LYS 31 far 0 96 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 881 from cnoeabs.peaks (1.67, 1.62, 28.68 ppm; 2.40 A): 2 out of 4 assignments used, quality = 0.73: HB3 LYS 31 + HD3 LYS 31 OK 53 100 55 96 1.9-3.2 851=47, 851/1.8=25...(35) * HB3 LYS 31 + HD2 LYS 31 OK 43 100 45 95 2.0-3.3 851=38, 852/1.8=31...(35) HB VAL 25 - HD2 LYS 58 far 0 63 0 - 8.0-8.7 HB VAL 25 - HB2 GLN 50 far 0 67 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 882 from cnoeabs.peaks (1.42, 1.62, 28.68 ppm; 2.96 A increased from 2.49 A): 2 out of 10 assignments used, quality = 1.00: HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=100 * HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=100 QB ALA 57 - HD2 LYS 58 far 0 90 0 - 4.3-5.4 QB ALA 47 - HB2 GLN 50 far 0 100 0 - 5.4-5.6 HB2 LEU 36 - HD2 LYS 58 far 0 63 0 - 5.5-6.5 HG LEU 70 - HG13 ILE 67 far 0 83 0 - 6.9-7.2 HB3 LYS 52 - HB2 GLN 50 far 0 81 0 - 7.0-8.7 HB3 LYS 52 - HG13 ILE 67 far 0 61 0 - 8.1-10.9 QB ALA 57 - HB2 GLN 50 far 0 94 0 - 8.2-8.5 HG LEU 70 - HD2 LYS 58 far 0 97 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 883 from cnoeabs.peaks (1.37, 1.62, 28.68 ppm; 2.41 A): 3 out of 6 assignments used, quality = 1.00: HG3 LYS 31 + HD3 LYS 31 OK 96 100 100 96 2.2-2.9 3.0=54, 839/3.6=24...(32) * HG3 LYS 31 + HD2 LYS 31 OK 96 100 100 96 2.2-2.9 3.0=54, 839/3.6=24...(32) HD3 LYS 58 + HD2 LYS 58 OK 96 96 100 100 1.8-1.8 1.8=100 QB ALA 64 - HG13 ILE 67 far 0 83 0 - 4.2-4.5 HB3 LYS 52 - HB2 GLN 50 far 0 85 0 - 7.0-8.7 HB3 LYS 52 - HG13 ILE 67 far 0 65 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 884 from cnoeabs.peaks (1.62, 1.62, 28.68 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 * HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HB2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 98 98 - 100 HG13 ILE 67 + HG13 ILE 67 OK 64 64 - 100 Peak 885 from cnoeabs.peaks (1.62, 1.62, 28.68 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HB2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 98 98 - 100 HG13 ILE 67 + HG13 ILE 67 OK 64 64 - 100 Reference assignment not found: HD3 LYS 31 - HD2 LYS 31 Peak 886 from cnoeabs.peaks (2.94, 1.62, 28.68 ppm; 2.71 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=77, 903/3.6=19...(28) * HE2 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 903/3.6=19...(28) HE3 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=77, 876/3.0=16...(28) HE3 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 876/3.0=16...(28) HD3 ARG 66 - HG13 ILE 67 far 0 48 0 - 4.4-6.7 HB2 TRP 60 - HD2 LYS 58 far 0 82 0 - 6.4-7.6 HD3 ARG 66 - HD2 LYS 58 far 0 61 0 - 7.2-9.9 HB2 ASN 71 - HG13 ILE 67 far 0 83 0 - 7.5-9.1 HE2 LYS 52 - HG13 ILE 67 far 0 83 0 - 8.6-9.9 HD2 ARG 44 - HB2 GLN 50 far 0 82 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 887 from cnoeabs.peaks (2.94, 1.62, 28.68 ppm; 2.71 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=77, 903/3.6=19...(28) HE2 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 903/3.6=19...(28) * HE3 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=77, 876/3.0=16...(28) HE3 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 876/3.0=16...(28) HD3 ARG 66 - HG13 ILE 67 far 0 48 0 - 4.4-6.7 HB2 TRP 60 - HD2 LYS 58 far 0 82 0 - 6.4-7.6 HD3 ARG 66 - HD2 LYS 58 far 0 61 0 - 7.2-9.9 HB2 ASN 71 - HG13 ILE 67 far 0 83 0 - 7.5-9.1 HE2 LYS 52 - HG13 ILE 67 far 0 83 0 - 8.6-9.9 HD2 ARG 44 - HB2 GLN 50 far 0 82 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 890 from cnoeabs.peaks (4.31, 1.62, 28.68 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.95: HA LYS 31 + HD2 LYS 31 OK 80 100 80 100 3.3-4.4 828/3.0=68, 826/3.6=56...(18) * HA LYS 31 + HD3 LYS 31 OK 75 100 75 100 3.3-4.4 828/3.0=68, 826/3.6=56...(18) Violated in 0 structures by 0.00 A. Peak 891 from cnoeabs.peaks (1.98, 1.62, 28.68 ppm; 4.02 A increased from 3.21 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 3.3-4.1 3.6=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 3.3-4.1 3.6=100 HB3 GLU 63 + HG13 ILE 67 OK 48 48 100 100 3.8-4.1 3.0/1963=47, ~10469=38...(22) HB2 GLU 54 - HD2 LYS 58 far 4 85 5 - 4.3-6.0 HB2 GLN 27 - HD2 LYS 58 far 0 97 0 - 5.5-6.9 HB3 LEU 70 - HG13 ILE 67 far 0 58 0 - 5.9-6.1 HB3 GLN 27 - HD2 LYS 58 far 0 98 0 - 5.9-7.3 HB2 GLU 54 - HB2 GLN 50 far 0 89 0 - 6.5-7.3 HB VAL 69 - HG13 ILE 67 far 0 82 0 - 9.3-9.5 HB VAL 6 - HD3 LYS 31 far 0 96 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 892 from cnoeabs.peaks (1.67, 1.62, 28.68 ppm; 2.40 A): 2 out of 4 assignments used, quality = 0.73: * HB3 LYS 31 + HD3 LYS 31 OK 53 100 55 96 1.9-3.2 851=47, 851/1.8=25...(35) HB3 LYS 31 + HD2 LYS 31 OK 43 100 45 95 2.0-3.3 851=38, 852/1.8=31...(35) HB VAL 25 - HD2 LYS 58 far 0 63 0 - 8.0-8.7 HB VAL 25 - HB2 GLN 50 far 0 67 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 893 from cnoeabs.peaks (1.42, 1.62, 28.68 ppm; 2.96 A increased from 2.49 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-2.9 3.0=100 QB ALA 57 - HD2 LYS 58 far 0 90 0 - 4.3-5.4 QB ALA 47 - HB2 GLN 50 far 0 100 0 - 5.4-5.6 HB2 LEU 36 - HD2 LYS 58 far 0 63 0 - 5.5-6.5 HG LEU 70 - HG13 ILE 67 far 0 83 0 - 6.9-7.2 HB3 LYS 52 - HB2 GLN 50 far 0 81 0 - 7.0-8.7 HB3 LYS 52 - HG13 ILE 67 far 0 61 0 - 8.1-10.9 QB ALA 57 - HB2 GLN 50 far 0 94 0 - 8.2-8.5 HG LEU 70 - HD2 LYS 58 far 0 97 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 894 from cnoeabs.peaks (1.37, 1.62, 28.68 ppm; 2.41 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 31 + HD3 LYS 31 OK 96 100 100 96 2.2-2.9 3.0=54, 839/3.6=24...(32) HG3 LYS 31 + HD2 LYS 31 OK 96 100 100 96 2.2-2.9 3.0=54, 839/3.6=24...(32) HD3 LYS 58 + HD2 LYS 58 OK 96 96 100 100 1.8-1.8 1.8=100 QB ALA 64 - HG13 ILE 67 far 0 83 0 - 4.2-4.5 HB3 LYS 52 - HB2 GLN 50 far 0 85 0 - 7.0-8.7 HB3 LYS 52 - HG13 ILE 67 far 0 65 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 895 from cnoeabs.peaks (1.62, 1.62, 28.68 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HB2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 98 98 - 100 HG13 ILE 67 + HG13 ILE 67 OK 64 64 - 100 Reference assignment not found: HD2 LYS 31 - HD3 LYS 31 Peak 896 from cnoeabs.peaks (1.62, 1.62, 28.68 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HB2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 98 98 - 100 HG13 ILE 67 + HG13 ILE 67 OK 64 64 - 100 Peak 897 from cnoeabs.peaks (2.94, 1.62, 28.68 ppm; 2.71 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=77, 903/3.6=19...(28) HE2 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 903/3.6=19...(28) HE3 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=77, 876/3.0=16...(28) HE3 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 876/3.0=16...(28) HD3 ARG 66 - HG13 ILE 67 far 0 48 0 - 4.4-6.7 HB2 TRP 60 - HD2 LYS 58 far 0 82 0 - 6.4-7.6 HD3 ARG 66 - HD2 LYS 58 far 0 61 0 - 7.2-9.9 HB2 ASN 71 - HG13 ILE 67 far 0 83 0 - 7.5-9.1 HE2 LYS 52 - HG13 ILE 67 far 0 83 0 - 8.6-9.9 HD2 ARG 44 - HB2 GLN 50 far 0 82 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 898 from cnoeabs.peaks (2.94, 1.62, 28.68 ppm; 2.71 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=77, 903/3.6=19...(28) HE2 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 903/3.6=19...(28) HE3 LYS 31 + HD2 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=77, 876/3.0=16...(28) * HE3 LYS 31 + HD3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=77, 876/3.0=16...(28) HD3 ARG 66 - HG13 ILE 67 far 0 48 0 - 4.4-6.7 HB2 TRP 60 - HD2 LYS 58 far 0 82 0 - 6.4-7.6 HD3 ARG 66 - HD2 LYS 58 far 0 61 0 - 7.2-9.9 HB2 ASN 71 - HG13 ILE 67 far 0 83 0 - 7.5-9.1 HE2 LYS 52 - HG13 ILE 67 far 0 83 0 - 8.6-9.9 HD2 ARG 44 - HB2 GLN 50 far 0 82 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 901 from cnoeabs.peaks (4.31, 2.94, 41.91 ppm; 5.32 A increased from 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.7-5.2 828/3.9=93, 857/3.9=82...(18) HA LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.9-5.2 828/3.9=93, 857/3.9=82...(18) Violated in 0 structures by 0.00 A. Peak 902 from cnoeabs.peaks (1.98, 2.94, 41.91 ppm; 4.67 A increased from 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 3.8-4.6 839/3.9=79, 5.2=73...(38) HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.9-5.1 839/3.9=79, 5.2=73...(38) HB3 LEU 70 - HE2 LYS 52 far 0 74 0 - 5.6-7.2 Violated in 0 structures by 0.00 A. Peak 903 from cnoeabs.peaks (1.67, 2.94, 41.91 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.73: * HB3 LYS 31 + HE2 LYS 31 OK 59 100 60 99 3.3-4.2 892/3.0=34, 881/3.0=28...(35) HB3 LYS 31 + HE3 LYS 31 OK 35 100 35 99 3.4-4.2 892/3.0=34, 881/3.0=28...(35) Violated in 20 structures by 0.16 A. Peak 904 from cnoeabs.peaks (1.42, 2.94, 41.91 ppm; 3.88 A increased from 3.10 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.3-4.1 3.9=97, 865/1.8=45...(33) * HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.9 3.9=97, 3.0/903=45...(33) HB3 LYS 52 + HE2 LYS 52 OK 65 78 85 98 3.7-4.7 4.7=55, ~1588=43...(11) HG LEU 70 - HE2 LYS 52 far 0 99 0 - 5.9-7.3 QB ALA 47 - HE2 LYS 52 far 0 99 0 - 9.0-9.8 QB ALA 57 - HE2 LYS 52 far 0 91 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 905 from cnoeabs.peaks (1.37, 2.94, 41.91 ppm; 3.68 A increased from 2.94 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-3.7 3.9=83, 3.0/903=42...(30) HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.1-3.7 3.9=83, 875/1.8=40...(30) HB3 LYS 52 + HE2 LYS 52 OK 60 82 75 98 3.7-4.7 4.7=47, ~1588=39...(12) Violated in 0 structures by 0.00 A. Peak 906 from cnoeabs.peaks (1.62, 2.94, 41.91 ppm; 2.71 A increased from 2.41 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=78, 3.0/865=17...(28) HD3 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/875=16...(28) HD2 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=78, 3.0/875=16...(28) * HD2 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/865=17...(28) HB2 LEU 70 - HE2 LYS 52 far 0 91 0 - 4.6-6.4 HB2 ARG 66 - HE2 LYS 52 far 0 65 0 - 7.3-8.8 HB2 LEU 55 - HE2 LYS 52 far 0 89 0 - 8.1-9.1 HG13 ILE 67 - HE2 LYS 52 far 0 81 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 907 from cnoeabs.peaks (1.62, 2.94, 41.91 ppm; 2.71 A increased from 2.41 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=78, 3.0/865=17...(28) HD3 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/875=16...(28) HD2 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=78, 3.0/875=16...(28) HD2 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/865=17...(28) HB2 LEU 70 - HE2 LYS 52 far 0 91 0 - 4.6-6.4 HB2 ARG 66 - HE2 LYS 52 far 0 65 0 - 7.3-8.8 HB2 LEU 55 - HE2 LYS 52 far 0 89 0 - 8.1-9.1 HG13 ILE 67 - HE2 LYS 52 far 0 81 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 908 from cnoeabs.peaks (2.94, 2.94, 41.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 * HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 52 + HE2 LYS 52 OK 99 99 - 100 Peak 909 from cnoeabs.peaks (2.94, 2.94, 41.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 52 + HE2 LYS 52 OK 99 99 - 100 Reference assignment not found: HE3 LYS 31 - HE2 LYS 31 Peak 912 from cnoeabs.peaks (4.31, 2.94, 41.91 ppm; 5.32 A increased from 4.26 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.7-5.2 828/3.9=93, 857/3.9=82...(18) * HA LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.9-5.2 828/3.9=93, 857/3.9=82...(18) Violated in 0 structures by 0.00 A. Peak 913 from cnoeabs.peaks (1.98, 2.94, 41.91 ppm; 4.67 A increased from 4.15 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 3.8-4.6 839/3.9=79, 5.2=73...(38) * HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.9-5.1 839/3.9=79, 5.2=73...(38) HB3 LEU 70 - HE2 LYS 52 far 0 74 0 - 5.6-7.2 Violated in 0 structures by 0.00 A. Peak 914 from cnoeabs.peaks (1.67, 2.94, 41.91 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.73: HB3 LYS 31 + HE2 LYS 31 OK 59 100 60 99 3.3-4.2 892/3.0=34, 881/3.0=28...(35) * HB3 LYS 31 + HE3 LYS 31 OK 35 100 35 99 3.4-4.2 892/3.0=34, 881/3.0=28...(35) Violated in 20 structures by 0.16 A. Peak 915 from cnoeabs.peaks (1.42, 2.94, 41.91 ppm; 3.88 A increased from 3.10 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.3-4.1 3.9=97, 865/1.8=45...(33) HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.9 3.9=97, 3.0/903=45...(33) HB3 LYS 52 + HE2 LYS 52 OK 65 78 85 98 3.7-4.7 4.7=55, ~1588=43...(11) HG LEU 70 - HE2 LYS 52 far 0 99 0 - 5.9-7.3 QB ALA 47 - HE2 LYS 52 far 0 99 0 - 9.0-9.8 QB ALA 57 - HE2 LYS 52 far 0 91 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 916 from cnoeabs.peaks (1.37, 2.94, 41.91 ppm; 3.68 A increased from 2.94 A): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-3.7 3.9=83, 3.0/903=42...(30) * HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.1-3.7 3.9=83, 875/1.8=40...(30) HB3 LYS 52 + HE2 LYS 52 OK 60 82 75 98 3.7-4.7 4.7=47, ~1588=39...(12) Violated in 0 structures by 0.00 A. Peak 917 from cnoeabs.peaks (1.62, 2.94, 41.91 ppm; 2.71 A increased from 2.41 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=78, 3.0/865=17...(28) HD3 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/875=16...(28) * HD2 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=78, 3.0/875=16...(28) HD2 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/865=17...(28) HB2 LEU 70 - HE2 LYS 52 far 0 91 0 - 4.6-6.4 HB2 ARG 66 - HE2 LYS 52 far 0 65 0 - 7.3-8.8 HB2 LEU 55 - HE2 LYS 52 far 0 89 0 - 8.1-9.1 HG13 ILE 67 - HE2 LYS 52 far 0 81 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 918 from cnoeabs.peaks (1.62, 2.94, 41.91 ppm; 2.71 A increased from 2.41 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.3-2.9 3.0=78, 3.0/865=17...(28) * HD3 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/875=16...(28) HD2 LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.2-2.6 3.0=78, 3.0/875=16...(28) HD2 LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.7-3.0 3.0=78, 3.0/865=17...(28) HB2 LEU 70 - HE2 LYS 52 far 0 91 0 - 4.6-6.4 HB2 ARG 66 - HE2 LYS 52 far 0 65 0 - 7.3-8.8 HB2 LEU 55 - HE2 LYS 52 far 0 89 0 - 8.1-9.1 HG13 ILE 67 - HE2 LYS 52 far 0 81 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 919 from cnoeabs.peaks (2.94, 2.94, 41.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 52 + HE2 LYS 52 OK 99 99 - 100 Reference assignment not found: HE2 LYS 31 - HE3 LYS 31 Peak 920 from cnoeabs.peaks (2.94, 2.94, 41.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 52 + HE2 LYS 52 OK 99 99 - 100 Peak 922 from cnoeabs.peaks (8.00, 4.45, 44.47 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + HA2 GLY 32 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 923 from cnoeabs.peaks (4.45, 4.45, 44.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 32 + HA2 GLY 32 OK 100 100 - 100 Peak 924 from cnoeabs.peaks (3.83, 4.45, 44.47 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 32 + HA2 GLY 32 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 925 from cnoeabs.peaks (8.24, 4.45, 44.47 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + HA2 GLY 32 OK 100 100 100 100 2.2-3.5 6417=100, 6418/1.8=61...(6) Violated in 1 structures by 0.01 A. Peak 926 from cnoeabs.peaks (8.00, 3.83, 44.47 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 32 + HA3 GLY 32 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 927 from cnoeabs.peaks (4.45, 3.83, 44.47 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 32 + HA3 GLY 32 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 928 from cnoeabs.peaks (3.83, 3.83, 44.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 32 + HA3 GLY 32 OK 100 100 - 100 Peak 929 from cnoeabs.peaks (8.24, 3.83, 44.47 ppm; 3.54 A increased from 3.15 A): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + HA3 GLY 32 OK 100 100 100 100 2.2-3.5 6418=100, 6417/1.8=91...(6) Violated in 0 structures by 0.00 A. Peak 930 from cnoeabs.peaks (8.24, 5.25, 59.81 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + HA THR 33 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 931 from cnoeabs.peaks (5.25, 5.25, 59.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 33 + HA THR 33 OK 100 100 - 100 Peak 932 from cnoeabs.peaks (3.95, 5.25, 59.81 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 33 + HA THR 33 OK 100 100 100 100 2.7-2.7 3.0=100 HA3 GLY 30 - HA THR 33 far 0 77 0 - 7.0-7.1 Violated in 0 structures by 0.00 A. Peak 933 from cnoeabs.peaks (1.02, 5.25, 59.81 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 33 + HA THR 33 OK 100 100 100 100 2.2-2.2 941=100, 2.1/936=63...(16) HG12 ILE 11 - HA THR 33 far 0 75 0 - 5.7-6.1 Violated in 0 structures by 0.00 A. Peak 934 from cnoeabs.peaks (9.01, 5.25, 59.81 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * H SER 34 + HA THR 33 OK 100 100 100 100 2.2-2.5 6425=100, 939/936=47...(13) H ASP 26 - HA THR 33 far 0 98 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 935 from cnoeabs.peaks (8.24, 3.95, 71.45 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + HB THR 33 OK 100 100 100 100 3.7-3.7 6420=91, 3.0/936=72...(7) Violated in 0 structures by 0.00 A. Peak 936 from cnoeabs.peaks (5.25, 3.95, 71.45 ppm; 2.94 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 33 + HB THR 33 OK 100 100 100 100 2.7-2.7 3.0=92, 941/2.1=64...(13) Violated in 0 structures by 0.00 A. Peak 937 from cnoeabs.peaks (3.95, 3.95, 71.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 33 + HB THR 33 OK 100 100 - 100 Peak 938 from cnoeabs.peaks (1.02, 3.95, 71.45 ppm; 2.66 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 33 + HB THR 33 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 11 - HB THR 33 far 0 75 0 - 5.1-5.7 QG2 THR 37 - HB THR 33 far 0 92 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 939 from cnoeabs.peaks (9.01, 3.95, 71.45 ppm; 3.01 A): 1 out of 2 assignments used, quality = 1.00: * H SER 34 + HB THR 33 OK 100 100 100 100 2.3-3.1 6426=94, 6427/2.1=56...(9) H ASP 26 - HB THR 33 far 0 98 0 - 6.6-6.7 Violated in 1 structures by 0.00 A. Peak 940 from cnoeabs.peaks (8.24, 1.02, 21.57 ppm; 3.68 A increased from 3.28 A): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + QG2 THR 33 OK 100 100 100 100 3.5-3.6 6421=94, 3.0/941=73...(9) Violated in 0 structures by 0.00 A. Peak 941 from cnoeabs.peaks (5.25, 1.02, 21.57 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 33 + QG2 THR 33 OK 100 100 100 100 2.2-2.2 933=77, 936/2.1=54...(16) Violated in 0 structures by 0.00 A. Peak 942 from cnoeabs.peaks (3.95, 1.02, 21.57 ppm; 2.59 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 33 + QG2 THR 33 OK 100 100 100 100 2.1-2.1 2.1=100 HA3 GLY 30 - QG2 THR 33 far 0 77 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 943 from cnoeabs.peaks (1.02, 1.02, 21.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 33 + QG2 THR 33 OK 100 100 - 100 Peak 944 from cnoeabs.peaks (9.01, 1.02, 21.57 ppm; 3.34 A increased from 3.14 A): 1 out of 2 assignments used, quality = 1.00: * H SER 34 + QG2 THR 33 OK 100 100 100 100 3.0-3.3 6427=100, 939/2.1=73...(10) H ASP 26 - QG2 THR 33 far 0 98 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 945 from cnoeabs.peaks (9.01, 4.97, 54.98 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * H SER 34 + HA SER 34 OK 100 100 100 100 2.9-2.9 2.9=100 H ASP 26 - HA SER 34 far 0 98 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 946 from cnoeabs.peaks (4.97, 4.97, 54.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 34 + HA SER 34 OK 100 100 - 100 Peak 947 from cnoeabs.peaks (3.74, 4.97, 54.98 ppm; 2.61 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 34 + HA SER 34 OK 96 100 100 96 2.3-3.0 950=71, 1.8/954=51...(10) HD3 PRO 35 + HA SER 34 OK 91 98 100 93 2.3-2.3 959=67, 1.8/957=53...(7) Violated in 0 structures by 0.00 A. Peak 948 from cnoeabs.peaks (3.65, 4.97, 54.98 ppm; 3.05 A increased from 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 34 + HA SER 34 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 949 from cnoeabs.peaks (9.01, 3.74, 64.80 ppm; 3.73 A increased from 3.32 A): 1 out of 2 assignments used, quality = 1.00: * H SER 34 + HB2 SER 34 OK 100 100 100 100 3.0-3.6 6429=100, 6430/1.8=84...(11) H ASP 26 - HB2 SER 34 far 0 98 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 950 from cnoeabs.peaks (4.97, 3.74, 64.80 ppm; 2.93 A): 1 out of 1 assignment used, quality = 0.99: * HA SER 34 + HB2 SER 34 OK 99 100 100 99 2.3-3.0 3.0=90, 954/1.8=64...(11) Violated in 1 structures by 0.00 A. Peak 951 from cnoeabs.peaks (3.74, 3.74, 64.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 34 + HB2 SER 34 OK 100 100 - 100 Peak 952 from cnoeabs.peaks (3.65, 3.74, 64.80 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 34 + HB2 SER 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 9 - HB2 SER 34 far 0 100 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 953 from cnoeabs.peaks (9.01, 3.65, 64.80 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H SER 34 + HB3 SER 34 OK 100 100 100 100 2.5-3.1 6430=100, 6429/1.8=61...(15) H ASP 26 - HB3 SER 34 far 0 98 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 954 from cnoeabs.peaks (4.97, 3.65, 64.80 ppm; 3.02 A increased from 2.84 A): 1 out of 1 assignment used, quality = 0.99: * HA SER 34 + HB3 SER 34 OK 99 100 100 99 2.6-3.0 3.0=99 Violated in 0 structures by 0.00 A. Peak 955 from cnoeabs.peaks (3.74, 3.65, 64.80 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 34 + HB3 SER 34 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 PRO 35 - HB3 SER 34 far 0 98 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 956 from cnoeabs.peaks (3.65, 3.65, 64.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 34 + HB3 SER 34 OK 100 100 - 100 Peak 957 from cnoeabs.peaks (4.97, 3.70, 50.66 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 34 + HD2 PRO 35 OK 100 100 100 100 2.2-2.3 958=100, 960/1.8=37...(6) Violated in 0 structures by 0.00 A. Peak 958 from cnoeabs.peaks (3.70, 4.97, 54.98 ppm; 2.71 A): 1 out of 1 assignment used, quality = 0.96: * HD2 PRO 35 + HA SER 34 OK 96 100 100 96 2.2-2.3 957=77, 1.8/959=56...(6) Violated in 0 structures by 0.00 A. Peak 959 from cnoeabs.peaks (4.97, 3.75, 50.66 ppm; 2.97 A): 1 out of 1 assignment used, quality = 0.96: * HA SER 34 + HD3 PRO 35 OK 96 100 100 96 2.3-2.3 958/1.8=74, 960=50...(7) Violated in 0 structures by 0.00 A. Peak 960 from cnoeabs.peaks (3.75, 4.97, 54.98 ppm; 2.67 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 34 + HA SER 34 OK 95 98 100 97 2.3-3.0 950=74, 1.8/954=53...(10) * HD3 PRO 35 + HA SER 34 OK 95 100 100 95 2.3-2.3 959=73, 1.8/957=55...(7) Violated in 0 structures by 0.00 A. Peak 961 from cnoeabs.peaks (5.05, 3.70, 50.66 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 35 + HD2 PRO 35 OK 100 100 100 100 4.1-4.1 3.6=100 HA GLN 27 - HD2 PRO 35 far 0 93 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 962 from cnoeabs.peaks (2.18, 3.70, 50.66 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 35 + HD2 PRO 35 OK 100 100 100 100 3.9-3.9 3.0=100 HG3 GLN 27 - HD2 PRO 35 far 0 100 0 - 4.8-7.2 HG2 GLU 110 - HD2 PRO 35 far 0 94 0 - 7.9-23.9 Violated in 0 structures by 0.00 A. Peak 963 from cnoeabs.peaks (1.76, 3.70, 50.66 ppm; 4.06 A increased from 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 35 + HD2 PRO 35 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 LEU 36 - HD2 PRO 35 far 0 99 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 964 from cnoeabs.peaks (2.06, 3.70, 50.66 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 35 + HD2 PRO 35 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 GLN 27 - HD2 PRO 35 far 0 99 0 - 4.8-7.2 HG3 GLU 110 - HD2 PRO 35 far 0 77 0 - 8.3-22.2 Violated in 0 structures by 0.00 A. Peak 965 from cnoeabs.peaks (1.90, 3.70, 50.66 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 35 + HD2 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 GLU 110 - HD2 PRO 35 far 0 99 0 - 6.3-23.9 Violated in 0 structures by 0.00 A. Peak 966 from cnoeabs.peaks (3.70, 3.70, 50.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 35 + HD2 PRO 35 OK 100 100 - 100 Peak 967 from cnoeabs.peaks (3.75, 3.70, 50.66 ppm; 2.62 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 35 + HD2 PRO 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 34 + HD2 PRO 35 OK 66 98 90 75 3.1-3.7 950/958=39, ~959=16...(8) Violated in 0 structures by 0.00 A. Peak 969 from cnoeabs.peaks (5.05, 3.75, 50.66 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 35 + HD3 PRO 35 OK 100 100 100 100 3.6-3.6 3.6=100 HA GLN 27 - HD3 PRO 35 far 0 93 0 - 8.1-8.2 Violated in 0 structures by 0.00 A. Peak 970 from cnoeabs.peaks (2.18, 3.75, 50.66 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 35 + HD3 PRO 35 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLN 27 - HD3 PRO 35 far 0 100 0 - 5.7-8.1 HG2 GLU 110 - HD3 PRO 35 far 0 94 0 - 7.0-22.4 Violated in 0 structures by 0.00 A. Peak 971 from cnoeabs.peaks (1.76, 3.75, 50.66 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 35 + HD3 PRO 35 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 LEU 36 - HD3 PRO 35 far 0 99 0 - 8.0-8.1 Violated in 0 structures by 0.00 A. Peak 972 from cnoeabs.peaks (2.06, 3.75, 50.66 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 35 + HD3 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLN 27 - HD3 PRO 35 far 0 99 0 - 5.7-8.0 HG3 GLU 110 - HD3 PRO 35 far 0 77 0 - 7.0-20.7 Violated in 0 structures by 0.00 A. Peak 973 from cnoeabs.peaks (1.90, 3.75, 50.66 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 35 + HD3 PRO 35 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 GLU 110 - HD3 PRO 35 far 0 99 0 - 5.4-22.5 Violated in 0 structures by 0.00 A. Peak 974 from cnoeabs.peaks (3.70, 3.75, 50.66 ppm; 2.59 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 35 + HD3 PRO 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 38 - HD3 PRO 35 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 975 from cnoeabs.peaks (3.75, 3.75, 50.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 35 + HD3 PRO 35 OK 100 100 - 100 Peak 977 from cnoeabs.peaks (5.05, 5.05, 63.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 35 + HA PRO 35 OK 100 100 - 100 Peak 978 from cnoeabs.peaks (2.18, 5.05, 63.35 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 35 + HA PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 GLN 27 - HA PRO 35 far 0 100 0 - 5.2-7.3 Violated in 0 structures by 0.00 A. Peak 985 from cnoeabs.peaks (5.05, 2.18, 31.95 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 35 + HB2 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HA GLN 27 - HB2 PRO 35 far 0 93 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 986 from cnoeabs.peaks (2.18, 2.18, 31.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 35 + HB2 PRO 35 OK 100 100 - 100 Peak 987 from cnoeabs.peaks (1.76, 2.18, 31.95 ppm; 2.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 35 + HB2 PRO 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 36 - HB2 PRO 35 far 0 99 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 988 from cnoeabs.peaks (2.06, 2.18, 31.95 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 35 + HB2 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLN 27 - HB2 PRO 35 far 0 99 0 - 6.9-9.2 HG3 GLU 110 - HB2 PRO 35 far 0 77 0 - 8.8-19.1 Violated in 0 structures by 0.00 A. Peak 989 from cnoeabs.peaks (1.90, 2.18, 31.95 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 35 + HB2 PRO 35 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 GLU 110 - HB2 PRO 35 far 0 99 0 - 7.5-20.7 Violated in 0 structures by 0.00 A. Peak 990 from cnoeabs.peaks (3.70, 2.18, 31.95 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 35 + HB2 PRO 35 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 SER 38 - HB2 PRO 35 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 991 from cnoeabs.peaks (3.75, 2.18, 31.95 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 35 + HB2 PRO 35 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 34 - HB2 PRO 35 far 0 98 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 992 from cnoeabs.peaks (9.28, 2.18, 31.95 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 36 + HB2 PRO 35 OK 100 100 100 100 4.0-4.4 3.9=100 Violated in 0 structures by 0.00 A. Peak 993 from cnoeabs.peaks (5.05, 1.76, 31.95 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 35 + HB3 PRO 35 OK 100 100 100 100 2.7-2.7 2.3=100 HA GLN 27 - HB3 PRO 35 far 0 93 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 994 from cnoeabs.peaks (2.18, 1.76, 31.95 ppm; 2.66 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 35 + HB3 PRO 35 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 27 - HB3 PRO 35 far 0 100 0 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (1.76, 1.76, 31.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 35 + HB3 PRO 35 OK 100 100 - 100 Peak 996 from cnoeabs.peaks (2.06, 1.76, 31.95 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 35 + HB3 PRO 35 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 GLN 27 - HB3 PRO 35 far 0 99 0 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 997 from cnoeabs.peaks (1.90, 1.76, 31.95 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 35 + HB3 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 GLU 110 - HB3 PRO 35 far 0 99 0 - 8.7-21.4 Violated in 0 structures by 0.00 A. Peak 998 from cnoeabs.peaks (3.70, 1.76, 31.95 ppm; 4.05 A increased from 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 35 + HB3 PRO 35 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 SER 38 - HB3 PRO 35 far 0 100 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 999 from cnoeabs.peaks (3.75, 1.76, 31.95 ppm; 3.97 A increased from 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 35 + HB3 PRO 35 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 34 - HB3 PRO 35 far 0 98 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 1000 from cnoeabs.peaks (9.28, 1.76, 31.95 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 36 + HB3 PRO 35 OK 100 100 100 100 3.6-4.1 3.9=100 Violated in 0 structures by 0.00 A. Peak 1001 from cnoeabs.peaks (5.05, 2.06, 27.30 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 35 + HG2 PRO 35 OK 100 100 100 100 4.0-4.0 3.8=100 HA GLN 27 - HG2 PRO 35 far 0 93 0 - 9.5-9.6 Violated in 0 structures by 0.00 A. Peak 1002 from cnoeabs.peaks (2.18, 2.06, 27.30 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 35 + HG2 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 GLN 27 - HG2 PRO 35 far 0 100 0 - 7.1-9.5 HG2 GLU 110 - HG2 PRO 35 far 0 94 0 - 8.1-21.4 Violated in 0 structures by 0.00 A. Peak 1003 from cnoeabs.peaks (1.76, 2.06, 27.30 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 35 + HG2 PRO 35 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 LEU 36 - HG2 PRO 35 far 0 99 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 1004 from cnoeabs.peaks (2.06, 2.06, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 35 + HG2 PRO 35 OK 100 100 - 100 Peak 1005 from cnoeabs.peaks (1.90, 2.06, 27.30 ppm; 2.49 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 35 + HG2 PRO 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 110 - HG2 PRO 35 far 0 99 0 - 6.2-21.4 Violated in 0 structures by 0.00 A. Peak 1006 from cnoeabs.peaks (3.70, 2.06, 27.30 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 35 + HG2 PRO 35 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 SER 38 - HG2 PRO 35 far 0 100 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 1007 from cnoeabs.peaks (3.75, 2.06, 27.30 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 35 + HG2 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 SER 34 - HG2 PRO 35 far 0 98 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 1009 from cnoeabs.peaks (5.05, 1.90, 27.30 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 35 + HG3 PRO 35 OK 100 100 100 100 3.9-3.9 3.8=100 HA GLN 27 - HG3 PRO 35 far 0 93 0 - 8.7-8.8 Violated in 0 structures by 0.00 A. Peak 1010 from cnoeabs.peaks (2.18, 1.90, 27.30 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 35 + HG3 PRO 35 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 GLN 27 - HG3 PRO 35 far 0 100 0 - 6.1-8.4 HG2 GLU 110 - HG3 PRO 35 far 0 94 0 - 9.4-22.9 Violated in 0 structures by 0.00 A. Peak 1011 from cnoeabs.peaks (1.76, 1.90, 27.30 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 35 + HG3 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 LEU 36 - HG3 PRO 35 far 0 99 0 - 7.2-7.3 Violated in 0 structures by 0.00 A. Peak 1012 from cnoeabs.peaks (2.06, 1.90, 27.30 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 35 + HG3 PRO 35 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 27 - HG3 PRO 35 far 0 99 0 - 6.2-8.4 HG3 GLU 110 - HG3 PRO 35 far 0 77 0 - 9.6-21.2 Violated in 0 structures by 0.00 A. Peak 1013 from cnoeabs.peaks (1.90, 1.90, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 35 + HG3 PRO 35 OK 100 100 - 100 Peak 1014 from cnoeabs.peaks (3.70, 1.90, 27.30 ppm; 3.01 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 35 + HG3 PRO 35 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 SER 38 - HG3 PRO 35 far 0 100 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 1015 from cnoeabs.peaks (3.75, 1.90, 27.30 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 35 + HG3 PRO 35 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 SER 34 - HG3 PRO 35 far 0 98 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 1017 from cnoeabs.peaks (9.28, 4.71, 55.31 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 36 + HA LEU 36 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1018 from cnoeabs.peaks (4.71, 4.71, 55.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 36 + HA LEU 36 OK 100 100 - 100 Peak 1019 from cnoeabs.peaks (1.46, 4.71, 55.31 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 36 + HA LEU 36 OK 100 100 100 100 2.5-2.6 3.0=100 HG3 LYS 58 - HA LEU 36 far 0 99 0 - 6.2-6.9 QB ALA 57 - HA LEU 36 far 0 95 0 - 7.9-8.5 HG13 ILE 11 - HA LEU 36 far 0 65 0 - 8.4-10.7 HD3 LYS 13 - HA LEU 36 far 0 92 0 - 8.8-10.4 HD2 LYS 13 - HA LEU 36 far 0 92 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 1020 from cnoeabs.peaks (1.75, 4.71, 55.31 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 36 + HA LEU 36 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PRO 35 - HA LEU 36 far 0 99 0 - 4.5-4.9 HB VAL 25 - HA LEU 36 far 0 59 0 - 6.8-7.2 HG LEU 55 - HA LEU 36 far 0 100 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 1021 from cnoeabs.peaks (1.57, 4.71, 55.31 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 36 + HA LEU 36 OK 100 100 100 100 3.1-3.2 3.7=100 HB3 LYS 58 - HA LEU 36 far 0 98 0 - 7.7-8.1 HB2 LEU 55 - HA LEU 36 far 0 61 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 1022 from cnoeabs.peaks (0.79, 4.71, 55.31 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 36 + HA LEU 36 OK 100 100 100 100 3.7-3.8 1050=97, 2.1/1058=93...(8) QD1 ILE 11 - HA LEU 36 far 0 87 0 - 6.7-8.5 HB3 LEU 55 - HA LEU 36 far 0 91 0 - 8.0-8.4 QG2 VAL 69 - HA LEU 36 far 0 99 0 - 8.6-8.8 QG1 VAL 29 - HA LEU 36 far 0 61 0 - 8.9-9.3 QG2 ILE 28 - HA LEU 36 far 0 99 0 - 9.5-9.9 QD2 LEU 109 - HA LEU 36 far 0 65 0 - 9.7-19.0 Violated in 0 structures by 0.00 A. Peak 1023 from cnoeabs.peaks (1.15, 4.71, 55.31 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 36 + HA LEU 36 OK 100 100 100 100 1.8-1.9 1058=100, 1059/3.0=52...(7) HG3 LYS 13 - HA LEU 36 far 0 100 0 - 8.6-10.9 HG2 LYS 13 - HA LEU 36 far 0 100 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 1024 from cnoeabs.peaks (7.82, 4.71, 55.31 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HA LEU 36 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1025 from cnoeabs.peaks (9.28, 1.46, 44.48 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 36 + HB2 LEU 36 OK 100 100 100 100 2.4-2.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1026 from cnoeabs.peaks (4.71, 1.46, 44.48 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 36 + HB2 LEU 36 OK 100 100 100 100 2.5-2.6 3.0=100 HA LEU 12 - HB2 LEU 36 far 0 77 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 1027 from cnoeabs.peaks (1.46, 1.46, 44.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 36 + HB2 LEU 36 OK 100 100 - 100 Peak 1028 from cnoeabs.peaks (1.75, 1.46, 44.48 ppm; 2.99 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 36 + HB2 LEU 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 25 - HB2 LEU 36 far 0 59 0 - 5.4-5.7 HB3 PRO 35 - HB2 LEU 36 far 0 99 0 - 5.8-6.2 HG LEU 55 - HB2 LEU 36 far 0 100 0 - 7.0-7.2 HB3 ARG 66 - HB2 LEU 36 far 0 73 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 1029 from cnoeabs.peaks (1.57, 1.46, 44.48 ppm; 3.40 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 36 + HB2 LEU 36 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 58 - HB2 LEU 36 far 0 98 0 - 7.9-8.3 HB2 LEU 55 - HB2 LEU 36 far 0 61 0 - 8.2-8.5 HB3 LYS 13 - HB2 LEU 36 far 0 70 0 - 9.0-10.3 HB2 ARG 66 - HB2 LEU 36 far 0 88 0 - 9.2-9.6 QB ALA 62 - HB2 LEU 36 far 0 99 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 1030 from cnoeabs.peaks (0.79, 1.46, 44.48 ppm; 3.44 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 36 + HB2 LEU 36 OK 100 100 100 100 2.3-2.3 3.1=100 QD1 ILE 11 - HB2 LEU 36 far 0 87 0 - 4.9-6.7 QG2 VAL 69 - HB2 LEU 36 far 0 99 0 - 6.9-7.1 HB3 LEU 55 - HB2 LEU 36 far 0 91 0 - 6.9-7.4 QG2 ILE 28 - HB2 LEU 36 far 0 99 0 - 8.0-8.3 QG1 VAL 29 - HB2 LEU 36 far 0 61 0 - 8.6-8.9 QD2 LEU 109 - HB2 LEU 36 far 0 65 0 - 9.9-19.2 Violated in 0 structures by 0.00 A. Peak 1031 from cnoeabs.peaks (1.15, 1.46, 44.48 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 36 + HB2 LEU 36 OK 100 100 100 100 2.5-2.5 3.1=100 HG3 LYS 13 - HB2 LEU 36 far 0 100 0 - 7.4-9.3 HG2 LYS 13 - HB2 LEU 36 far 0 100 0 - 7.6-9.3 HG LEU 51 - HB2 LEU 36 far 0 59 0 - 9.2-9.7 HB2 LEU 12 - HB2 LEU 36 far 0 75 0 - 9.2-9.5 HG3 ARG 66 - HB2 LEU 36 far 0 94 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 1032 from cnoeabs.peaks (7.82, 1.46, 44.48 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HB2 LEU 36 OK 100 100 100 100 3.5-3.5 6449=100, 6450/1.8=95...(10) Violated in 0 structures by 0.00 A. Peak 1033 from cnoeabs.peaks (9.28, 1.75, 44.48 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 36 + HB3 LEU 36 OK 100 100 100 100 2.7-2.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1034 from cnoeabs.peaks (4.71, 1.75, 44.48 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 36 + HB3 LEU 36 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 12 - HB3 LEU 36 far 0 77 0 - 7.0-7.1 Violated in 0 structures by 0.00 A. Peak 1035 from cnoeabs.peaks (1.46, 1.75, 44.48 ppm; 3.00 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 36 + HB3 LEU 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 11 - HB3 LEU 36 far 0 65 0 - 6.7-9.0 HG3 LYS 58 - HB3 LEU 36 far 0 99 0 - 7.4-8.0 HD3 LYS 13 - HB3 LEU 36 far 0 92 0 - 7.5-9.1 HB3 LEU 51 - HB3 LEU 36 far 0 84 0 - 8.0-9.5 HD2 LYS 13 - HB3 LEU 36 far 0 92 0 - 8.0-10.1 QB ALA 57 - HB3 LEU 36 far 0 95 0 - 8.1-8.5 HG LEU 70 - HB3 LEU 36 far 0 75 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 1036 from cnoeabs.peaks (1.75, 1.75, 44.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 36 + HB3 LEU 36 OK 100 100 - 100 Peak 1037 from cnoeabs.peaks (1.57, 1.75, 44.48 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 36 + HB3 LEU 36 OK 100 100 100 100 2.4-2.4 3.0=100 HB2 LEU 55 - HB3 LEU 36 far 0 61 0 - 7.4-7.6 HB3 LYS 58 - HB3 LEU 36 far 0 98 0 - 7.9-8.4 HB3 LYS 13 - HB3 LEU 36 far 0 70 0 - 8.2-9.8 HB2 ARG 66 - HB3 LEU 36 far 0 88 0 - 8.5-8.8 HG LEU 12 - HB3 LEU 36 far 0 61 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 1038 from cnoeabs.peaks (0.79, 1.75, 44.48 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 36 + HB3 LEU 36 OK 100 100 100 100 2.4-2.4 3.1=100 QD1 ILE 11 - HB3 LEU 36 far 0 87 0 - 5.5-7.4 QG2 VAL 69 - HB3 LEU 36 far 0 99 0 - 6.2-6.4 HB3 LEU 55 - HB3 LEU 36 far 0 91 0 - 6.4-6.8 QD1 ILE 23 - HB3 LEU 36 far 0 65 0 - 8.8-9.4 QG2 ILE 28 - HB3 LEU 36 far 0 99 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 1039 from cnoeabs.peaks (1.15, 1.75, 44.48 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 36 + HB3 LEU 36 OK 100 100 100 100 3.2-3.2 3.1=100 HG3 LYS 13 - HB3 LEU 36 far 0 100 0 - 6.8-9.2 HG2 LYS 13 - HB3 LEU 36 far 0 100 0 - 7.2-9.1 HG LEU 51 - HB3 LEU 36 far 0 59 0 - 7.8-8.2 HB2 LEU 12 - HB3 LEU 36 far 0 75 0 - 8.5-8.7 HG3 ARG 66 - HB3 LEU 36 far 0 94 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1040 from cnoeabs.peaks (7.82, 1.75, 44.48 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H THR 37 + HB3 LEU 36 OK 100 100 100 100 2.2-2.3 6450=100, 6449/1.8=78...(12) H ARG 66 - HB3 LEU 36 far 0 98 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (9.28, 1.57, 27.00 ppm; 5.88 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 36 + HG LEU 36 OK 100 100 100 100 4.6-4.7 5.2=100 H PHE 41 - HG LEU 109 far 0 37 0 - 9.0-23.9 H TRP 42 - HG LEU 109 far 0 45 0 - 9.7-25.4 H LEU 36 - HG LEU 12 far 0 48 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 1042 from cnoeabs.peaks (4.71, 1.57, 27.00 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 36 + HG LEU 36 OK 100 100 100 100 3.1-3.2 3.7=100 HA LEU 12 + HG LEU 12 OK 31 31 100 100 2.9-3.0 3.7=100 HA ASN 108 - HG LEU 109 far 2 43 5 - 4.4-6.7 HA LEU 12 - HG LEU 36 far 0 77 0 - 8.9-9.0 HA TRP 16 - HG LEU 109 far 0 58 0 - 9.1-20.3 HA LEU 12 - HG LEU 109 far 0 38 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 1043 from cnoeabs.peaks (1.46, 1.57, 27.00 ppm; 3.16 A): 2 out of 19 assignments used, quality = 1.00: * HB2 LEU 36 + HG LEU 36 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 109 + HG LEU 109 OK 50 50 100 100 2.5-2.9 3.0=100 HD2 LYS 13 - HG LEU 109 far 0 49 0 - 4.9-18.3 HG3 LYS 58 - HG LEU 36 far 0 99 0 - 5.2-5.7 HD3 LYS 13 - HG LEU 109 far 0 49 0 - 5.8-19.4 HD2 LYS 13 - HG LEU 12 far 0 40 0 - 6.0-7.7 QB ALA 57 - HG LEU 36 far 0 95 0 - 6.3-6.7 HD3 LYS 13 - HG LEU 12 far 0 40 0 - 6.9-7.8 HB3 LEU 51 - HG LEU 12 far 0 34 0 - 7.2-8.4 QB ALA 47 - HG LEU 12 far 0 30 0 - 7.4-7.7 HG LEU 70 - HG LEU 12 far 0 30 0 - 8.2-8.7 HG13 ILE 11 - HG LEU 12 far 0 25 0 - 8.4-8.9 HB3 LEU 51 - HG LEU 36 far 0 84 0 - 8.5-9.6 HG13 ILE 11 - HG LEU 36 far 0 65 0 - 8.6-10.8 HB ILE 77 - HG LEU 12 far 0 48 0 - 8.8-9.1 HG13 ILE 11 - HG LEU 109 far 0 32 0 - 9.3-26.0 HG LEU 70 - HG LEU 36 far 0 75 0 - 9.4-9.7 HD3 LYS 13 - HG LEU 36 far 0 92 0 - 9.8-11.5 HG2 LYS 31 - HG LEU 109 far 0 33 0 - 9.8-31.5 Violated in 0 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (1.75, 1.57, 27.00 ppm; 3.40 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 36 + HG LEU 36 OK 100 100 100 100 2.4-2.4 3.0=100 HB ILE 23 - HG LEU 12 poor 16 33 50 - 3.8-4.1 HG LEU 55 - HG LEU 36 far 0 100 0 - 5.0-5.2 HB VAL 25 - HG LEU 36 far 0 59 0 - 5.2-5.4 HG12 ILE 23 - HG LEU 12 far 0 34 0 - 5.7-6.2 HB VAL 25 - HG LEU 12 far 0 22 0 - 6.3-6.6 HB3 PRO 35 - HG LEU 36 far 0 99 0 - 7.2-7.5 HB3 PRO 35 - HG LEU 109 far 0 56 0 - 8.0-20.7 HB3 ARG 66 - HG LEU 36 far 0 73 0 - 8.2-9.8 HB2 GLN 96 - HG LEU 109 far 0 46 0 - 9.3-23.0 HB3 LEU 36 - HG LEU 12 far 0 48 0 - 9.5-9.8 HG LEU 55 - HG LEU 12 far 0 48 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 1045 from cnoeabs.peaks (1.57, 1.57, 27.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 36 + HG LEU 36 OK 100 100 - 100 HG LEU 109 + HG LEU 109 OK 37 37 - 100 HG LEU 12 + HG LEU 12 OK 23 23 - 100 Peak 1046 from cnoeabs.peaks (0.79, 1.57, 27.00 ppm; 3.51 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 36 + HG LEU 36 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 109 + HG LEU 109 OK 32 32 100 100 2.1-2.1 2.1=100 QG2 ILE 23 - HG LEU 12 far 0 44 0 - 4.4-4.8 QD1 ILE 23 - HG LEU 12 far 0 25 0 - 5.0-5.3 HB3 LEU 55 - HG LEU 36 far 0 91 0 - 5.0-5.4 QG2 VAL 69 - HG LEU 12 far 0 45 0 - 6.1-6.5 QG2 VAL 69 - HG LEU 36 far 0 99 0 - 6.5-6.7 QD1 ILE 11 - HG LEU 109 far 0 45 0 - 6.6-20.2 QD1 ILE 11 - HG LEU 36 far 0 87 0 - 7.1-9.1 QD1 ILE 11 - HG LEU 12 far 0 36 0 - 7.1-7.6 QD2 LEU 36 - HG LEU 12 far 0 48 0 - 8.9-9.2 QD2 LEU 109 - HG LEU 12 far 0 25 0 - 9.3-17.2 QD1 ILE 23 - HG LEU 36 far 0 65 0 - 9.7-10.1 QG2 ILE 23 - HG LEU 109 far 0 55 0 - 9.8-19.2 Violated in 0 structures by 0.00 A. Peak 1047 from cnoeabs.peaks (1.15, 1.57, 27.00 ppm; 3.33 A): 2 out of 14 assignments used, quality = 1.00: * QD1 LEU 36 + HG LEU 36 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 12 + HG LEU 12 OK 30 30 100 100 2.9-2.9 3.0=100 HB VAL 14 - HG LEU 12 far 0 34 0 - 4.5-5.0 HG2 LYS 13 - HG LEU 12 far 0 48 0 - 4.7-5.8 HG3 LYS 13 - HG LEU 12 far 0 48 0 - 5.3-6.1 HG2 LYS 13 - HG LEU 109 far 0 59 0 - 7.3-19.7 HG3 LYS 13 - HG LEU 109 far 0 59 0 - 7.6-19.3 HG LEU 51 - HG LEU 12 far 0 22 0 - 7.7-8.3 HG LEU 51 - HG LEU 36 far 0 59 0 - 7.8-8.3 HG3 ARG 66 - HG LEU 36 far 0 94 0 - 8.3-10.7 HB VAL 14 - HG LEU 109 far 0 42 0 - 8.9-18.7 HG3 LYS 13 - HG LEU 36 far 0 100 0 - 9.2-11.5 HG2 LYS 13 - HG LEU 36 far 0 100 0 - 9.5-11.5 HB2 LEU 12 - HG LEU 36 far 0 75 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 1048 from cnoeabs.peaks (7.82, 1.57, 27.00 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * H THR 37 + HG LEU 36 OK 100 100 100 100 3.8-4.0 6451=100, 6450/3.0=94...(10) H THR 37 - HG LEU 12 far 0 48 0 - 9.2-9.5 H ARG 66 - HG LEU 36 far 0 98 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 1049 from cnoeabs.peaks (9.28, 0.79, 25.52 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 36 + QD2 LEU 36 OK 100 100 100 100 4.2-4.4 4.7=100 Violated in 0 structures by 0.00 A. Peak 1050 from cnoeabs.peaks (4.71, 0.79, 25.52 ppm; 3.87 A increased from 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 36 + QD2 LEU 36 OK 100 100 100 100 3.7-3.8 1022=100, 1058/2.1=93...(8) HA LEU 12 - QD2 LEU 36 far 0 77 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 1051 from cnoeabs.peaks (1.46, 0.79, 25.52 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 36 + QD2 LEU 36 OK 100 100 100 100 2.3-2.3 3.1=100 HG3 LYS 58 - QD2 LEU 36 far 0 99 0 - 4.9-5.3 HG13 ILE 11 - QD2 LEU 36 far 0 65 0 - 5.8-7.6 QB ALA 57 - QD2 LEU 36 far 0 95 0 - 6.1-6.5 HG LEU 70 - QD2 LEU 36 far 0 75 0 - 7.1-7.4 HB3 LEU 51 - QD2 LEU 36 far 0 84 0 - 7.5-8.3 HD3 LYS 13 - QD2 LEU 36 far 0 92 0 - 8.2-9.2 HD2 LYS 13 - QD2 LEU 36 far 0 92 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 1052 from cnoeabs.peaks (1.75, 0.79, 25.52 ppm; 2.98 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LEU 36 + QD2 LEU 36 OK 99 100 100 99 2.4-2.4 3.1=87, ~1059=36...(16) HB VAL 25 - QD2 LEU 36 far 0 59 0 - 4.1-4.3 HG LEU 55 - QD2 LEU 36 far 0 100 0 - 4.1-4.2 HB3 ARG 66 - QD2 LEU 36 far 0 73 0 - 5.7-7.2 HB3 PRO 35 - QD2 LEU 36 far 0 99 0 - 7.1-7.3 HG12 ILE 23 - QD2 LEU 36 far 0 84 0 - 9.2-9.5 HB ILE 23 - QD2 LEU 36 far 0 81 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 1053 from cnoeabs.peaks (1.57, 0.79, 25.52 ppm; 3.00 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 36 + QD2 LEU 36 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 58 - QD2 LEU 36 far 0 98 0 - 4.5-4.9 HB2 LEU 55 - QD2 LEU 36 far 0 61 0 - 4.6-4.9 HB2 ARG 66 - QD2 LEU 36 far 0 88 0 - 5.4-5.8 QB ALA 62 - QD2 LEU 36 far 0 99 0 - 6.4-6.7 HB3 LYS 13 - QD2 LEU 36 far 0 70 0 - 8.7-10.0 HG LEU 12 - QD2 LEU 36 far 0 61 0 - 8.9-9.2 HG13 ILE 67 - QD2 LEU 36 far 0 73 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (0.79, 0.79, 25.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 36 + QD2 LEU 36 OK 100 100 - 100 Peak 1055 from cnoeabs.peaks (1.15, 0.79, 25.52 ppm; 2.51 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 36 + QD2 LEU 36 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 66 - QD2 LEU 36 far 0 94 0 - 5.6-7.8 HG LEU 51 - QD2 LEU 36 far 0 59 0 - 6.4-6.8 HB2 LEU 12 - QD2 LEU 36 far 0 75 0 - 7.4-7.6 HG3 LYS 13 - QD2 LEU 36 far 0 100 0 - 7.5-9.1 HG2 LYS 13 - QD2 LEU 36 far 0 100 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 1056 from cnoeabs.peaks (7.82, 0.79, 25.52 ppm; 4.50 A increased from 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H THR 37 + QD2 LEU 36 OK 100 100 100 100 4.2-4.3 6452=100, 6450/1052=85...(12) H ARG 66 - QD2 LEU 36 far 0 98 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 1057 from cnoeabs.peaks (9.28, 1.15, 24.55 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 36 + QD1 LEU 36 OK 100 100 100 100 3.9-4.1 3.0/1058=94, 4.7=93...(9) Violated in 0 structures by 0.00 A. Peak 1058 from cnoeabs.peaks (4.71, 1.15, 24.55 ppm; 2.76 A): 1 out of 2 assignments used, quality = 0.95: * HA LEU 36 + QD1 LEU 36 OK 95 100 100 95 1.8-1.9 1023=73, 3.0/1059=42...(7) HA LEU 12 - QD1 LEU 36 far 0 77 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 1059 from cnoeabs.peaks (1.46, 1.15, 24.55 ppm; 2.84 A): 1 out of 8 assignments used, quality = 0.98: * HB2 LEU 36 + QD1 LEU 36 OK 98 100 100 98 2.5-2.5 3.1=74, 3.0/1058=46...(16) HG3 LYS 58 - QD1 LEU 36 far 10 99 10 - 3.3-3.9 QB ALA 57 - QD1 LEU 36 far 0 95 0 - 5.7-6.2 HG13 ILE 11 - QD1 LEU 36 far 0 65 0 - 7.3-9.0 HD3 LYS 13 - QD1 LEU 36 far 0 92 0 - 8.9-10.1 HD2 LYS 13 - QD1 LEU 36 far 0 92 0 - 9.0-11.1 HB3 LEU 51 - QD1 LEU 36 far 0 84 0 - 9.2-10.0 HG LEU 70 - QD1 LEU 36 far 0 75 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 1060 from cnoeabs.peaks (1.75, 1.15, 24.55 ppm; 3.24 A increased from 3.05 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 36 + QD1 LEU 36 OK 100 100 100 100 3.2-3.2 3.1=100 HB3 PRO 35 - QD1 LEU 36 far 0 99 0 - 5.7-6.1 HG LEU 55 - QD1 LEU 36 far 0 100 0 - 6.0-6.1 HB VAL 25 - QD1 LEU 36 far 0 59 0 - 6.1-6.3 HB3 ARG 66 - QD1 LEU 36 far 0 73 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 1061 from cnoeabs.peaks (1.57, 1.15, 24.55 ppm; 2.65 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 36 + QD1 LEU 36 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 58 - QD1 LEU 36 far 0 98 0 - 4.2-4.6 HB2 LEU 55 - QD1 LEU 36 far 0 61 0 - 6.3-6.6 HB2 ARG 66 - QD1 LEU 36 far 0 88 0 - 7.5-8.0 QB ALA 62 - QD1 LEU 36 far 0 99 0 - 7.7-7.9 HB3 LYS 13 - QD1 LEU 36 far 0 70 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 1062 from cnoeabs.peaks (0.79, 1.15, 24.55 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 36 + QD1 LEU 36 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 55 - QD1 LEU 36 far 0 91 0 - 5.1-5.5 QD1 ILE 11 - QD1 LEU 36 far 0 87 0 - 5.9-7.5 QG2 VAL 69 - QD1 LEU 36 far 0 99 0 - 6.6-6.9 QG1 VAL 29 - QD1 LEU 36 far 0 61 0 - 7.4-7.5 QG2 ILE 28 - QD1 LEU 36 far 0 99 0 - 7.8-7.9 QD2 LEU 109 - QD1 LEU 36 far 0 65 0 - 9.6-17.4 QD1 ILE 23 - QD1 LEU 36 far 0 65 0 - 9.7-10.1 QD1 ILE 67 - QD1 LEU 36 far 0 99 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 1063 from cnoeabs.peaks (1.15, 1.15, 24.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 36 + QD1 LEU 36 OK 100 100 - 100 Peak 1064 from cnoeabs.peaks (7.82, 1.15, 24.55 ppm; 4.57 A increased from 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H THR 37 + QD1 LEU 36 OK 100 100 100 100 4.3-4.4 6453=94, 3.6/1058=85...(11) H ARG 66 - QD1 LEU 36 far 0 98 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 1065 from cnoeabs.peaks (7.82, 4.88, 59.08 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HA THR 37 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (4.88, 4.88, 59.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 37 + HA THR 37 OK 100 100 - 100 Peak 1067 from cnoeabs.peaks (4.59, 4.88, 59.08 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 37 + HA THR 37 OK 100 100 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 1068 from cnoeabs.peaks (1.00, 4.88, 59.08 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 37 + HA THR 37 OK 100 100 100 100 2.5-2.6 3.2=100 QG1 VAL 25 - HA THR 37 far 0 90 0 - 5.3-5.7 HB3 GLN 50 - HA THR 37 far 0 71 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 1071 from cnoeabs.peaks (4.88, 4.59, 72.20 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 37 + HB THR 37 OK 100 100 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (4.59, 4.59, 72.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 37 + HB THR 37 OK 100 100 - 100 Peak 1073 from cnoeabs.peaks (1.00, 4.59, 72.20 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 37 + HB THR 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 25 - HB THR 37 far 0 90 0 - 5.0-5.3 HB3 GLN 50 - HB THR 37 far 0 71 0 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 1074 from cnoeabs.peaks (8.28, 4.59, 72.20 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H SER 38 + HB THR 37 OK 100 100 100 100 2.2-2.7 6461=100, 6460/3.0=62...(7) Violated in 0 structures by 0.00 A. Peak 1075 from cnoeabs.peaks (7.82, 1.00, 19.20 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.99: * H THR 37 + QG2 THR 37 OK 99 100 100 99 2.4-2.5 4.1=61, 3.0/1076=60...(13) H ARG 66 - QG2 THR 37 far 0 98 0 - 8.4-8.7 HE22 GLN 49 - QG2 THR 37 far 0 97 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (4.88, 1.00, 19.20 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.98: * HA THR 37 + QG2 THR 37 OK 98 100 100 98 2.5-2.6 3.2=93, 3.0/1075=44...(5) Violated in 0 structures by 0.00 A. Peak 1077 from cnoeabs.peaks (4.59, 1.00, 19.20 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 37 + QG2 THR 37 OK 100 100 100 100 2.1-2.1 2.1=100 HA ILE 11 - QG2 THR 37 far 0 90 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 1078 from cnoeabs.peaks (1.00, 1.00, 19.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 37 + QG2 THR 37 OK 100 100 - 100 Peak 1079 from cnoeabs.peaks (8.28, 1.00, 19.20 ppm; 4.15 A increased from 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H SER 38 + QG2 THR 37 OK 100 100 100 100 3.8-4.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 1080 from cnoeabs.peaks (8.28, 4.24, 57.30 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H SER 38 + HA SER 38 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1081 from cnoeabs.peaks (4.24, 4.24, 57.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HA SER 38 OK 100 100 - 100 Peak 1082 from cnoeabs.peaks (3.49, 4.24, 57.30 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 51 - HA SER 38 far 0 93 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 1083 from cnoeabs.peaks (3.70, 4.24, 57.30 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 38 + HA SER 38 OK 100 100 100 100 2.4-2.4 3.0=100 HD2 PRO 35 - HA SER 38 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 1084 from cnoeabs.peaks (7.71, 4.24, 57.30 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.99: * H TYR 39 + HA SER 38 OK 99 100 100 99 2.5-2.7 3.6=99 H LEU 51 - HA SER 38 far 0 96 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 1085 from cnoeabs.peaks (8.28, 3.49, 63.43 ppm; 3.37 A): 1 out of 1 assignment used, quality = 0.98: * H SER 38 + HB2 SER 38 OK 98 100 100 98 2.3-2.4 6464=74, 1090/1.8=71...(8) Violated in 0 structures by 0.00 A. Peak 1086 from cnoeabs.peaks (4.24, 3.49, 63.43 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 38 + HB2 SER 38 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 24 - HB2 SER 38 far 0 98 0 - 6.2-6.6 HA ALA 47 - HA PRO 43 far 0 52 0 - 6.4-6.7 HA ALA 47 - HB2 SER 38 far 0 98 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 1087 from cnoeabs.peaks (3.49, 3.49, 63.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 38 + HB2 SER 38 OK 100 100 - 100 HA PRO 43 + HA PRO 43 OK 39 39 - 100 Peak 1088 from cnoeabs.peaks (3.70, 3.49, 63.43 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 38 + HB2 SER 38 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLN 50 - HB2 SER 38 far 0 100 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 1089 from cnoeabs.peaks (7.71, 3.49, 63.43 ppm; 3.70 A increased from 3.48 A): 1 out of 2 assignments used, quality = 0.99: * H TYR 39 + HB2 SER 38 OK 99 100 100 99 3.0-3.6 6470=80, 1094/1.8=78...(4) H LEU 51 - HB2 SER 38 far 0 96 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (8.28, 3.70, 63.43 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.98: * H SER 38 + HB3 SER 38 OK 98 100 100 98 2.7-3.1 1085/1.8=71, 3.9=64...(6) Violated in 0 structures by 0.00 A. Peak 1091 from cnoeabs.peaks (4.24, 3.70, 63.43 ppm; 3.00 A): 1 out of 3 assignments used, quality = 0.99: * HA SER 38 + HB3 SER 38 OK 99 100 100 99 2.4-2.4 3.0=97, 3.0/1090=42...(6) HA ALA 24 - HB3 SER 38 far 0 98 0 - 7.0-7.3 HA LEU 109 - HB3 SER 38 far 0 92 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 1092 from cnoeabs.peaks (3.49, 3.70, 63.43 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 38 + HB3 SER 38 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 51 - HB3 SER 38 far 0 93 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 1093 from cnoeabs.peaks (3.70, 3.70, 63.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 38 + HB3 SER 38 OK 100 100 - 100 Peak 1094 from cnoeabs.peaks (7.71, 3.70, 63.43 ppm; 3.51 A increased from 3.31 A): 1 out of 1 assignment used, quality = 0.98: * H TYR 39 + HB3 SER 38 OK 98 100 100 98 3.4-3.5 6471=85, 1089/1.8=67...(4) Violated in 0 structures by 0.00 A. Peak 1095 from cnoeabs.peaks (7.71, 4.52, 58.40 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 39 + HA TYR 39 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 51 - HA TYR 39 far 0 96 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (4.52, 4.52, 58.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA TYR 39 + HA TYR 39 OK 100 100 - 100 HA SER 4 + HA SER 4 OK 24 24 - 100 Peak 1097 from cnoeabs.peaks (2.03, 4.52, 58.40 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 39 + HA TYR 39 OK 100 100 100 100 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1098 from cnoeabs.peaks (2.51, 4.52, 58.40 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 39 + HA TYR 39 OK 100 100 100 100 2.9-3.0 3.0=100 HE3 LYS 13 - HA TYR 39 far 0 85 0 - 6.0-8.4 Violated in 0 structures by 0.00 A. Peak 1099 from cnoeabs.peaks (6.60, 4.52, 58.40 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + HA TYR 39 OK 100 100 100 100 2.0-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 1100 from cnoeabs.peaks (6.35, 4.52, 58.40 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.98: * QE TYR 39 + HA TYR 39 OK 98 100 100 98 4.1-4.6 5.7=81, 8890/9200=68 HE21 GLN 50 - HA TYR 39 far 0 88 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 1101 from cnoeabs.peaks (9.07, 4.52, 58.40 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + HA TYR 39 OK 100 100 100 100 2.1-2.2 6480=100, 8279/9199=38...(7) Violated in 0 structures by 0.00 A. Peak 1102 from cnoeabs.peaks (7.71, 2.03, 39.77 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 39 + HB2 TYR 39 OK 100 100 100 100 3.4-3.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (4.52, 2.03, 39.77 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 39 + HB2 TYR 39 OK 100 100 100 100 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (2.03, 2.03, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 39 + HB2 TYR 39 OK 100 100 - 100 Peak 1105 from cnoeabs.peaks (2.51, 2.03, 39.77 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 39 + HB2 TYR 39 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 13 - HB2 TYR 39 far 0 85 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 1106 from cnoeabs.peaks (6.60, 2.03, 39.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + HB2 TYR 39 OK 100 100 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (9.07, 2.03, 39.77 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + HB2 TYR 39 OK 100 100 100 100 3.7-3.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 1109 from cnoeabs.peaks (7.71, 2.51, 39.77 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 39 + HB3 TYR 39 OK 100 100 100 100 2.1-2.3 4.0=100 H LEU 51 - HB2 ASP 53 poor 19 71 35 77 5.0-6.6 6658/4.0=60, 3.6/1602=41 Violated in 0 structures by 0.00 A. Peak 1110 from cnoeabs.peaks (4.52, 2.51, 39.77 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 39 + HB3 TYR 39 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1111 from cnoeabs.peaks (2.03, 2.51, 39.77 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 39 + HB3 TYR 39 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 50 - HB2 ASP 53 far 0 76 0 - 5.1-6.3 HB2 GLN 49 - HB2 ASP 53 far 0 59 0 - 5.7-8.0 Violated in 0 structures by 0.00 A. Peak 1112 from cnoeabs.peaks (2.51, 2.51, 39.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 39 + HB3 TYR 39 OK 100 100 - 100 HB2 ASP 53 + HB2 ASP 53 OK 55 55 - 100 Peak 1113 from cnoeabs.peaks (6.60, 2.51, 39.77 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + HB3 TYR 39 OK 100 100 100 100 2.3-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 1116 from cnoeabs.peaks (9.07, 5.03, 56.49 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + HA PHE 40 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1117 from cnoeabs.peaks (5.03, 5.03, 56.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 40 + HA PHE 40 OK 100 100 - 100 Peak 1118 from cnoeabs.peaks (2.66, 5.03, 56.49 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 40 + HA PHE 40 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1119 from cnoeabs.peaks (3.40, 5.03, 56.49 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 40 + HA PHE 40 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 TRP 48 - HA PHE 40 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (7.13, 5.03, 56.49 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 40 + HA PHE 40 OK 100 100 100 100 2.1-2.7 3.7=100 HZ PHE 40 - HA PHE 40 far 0 61 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 1123 from cnoeabs.peaks (9.31, 5.03, 56.49 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 41 + HA PHE 40 OK 100 100 100 100 2.1-2.1 6494=100, 6496/3.0=40...(6) H TRP 42 - HA PHE 40 far 0 100 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 1124 from cnoeabs.peaks (9.07, 2.66, 41.01 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + HB2 PHE 40 OK 100 100 100 100 2.4-2.6 4.1=100 Violated in 0 structures by 0.00 A. Peak 1125 from cnoeabs.peaks (5.03, 2.66, 41.01 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 40 + HB2 PHE 40 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 27 - HB3 ASP 65 far 0 89 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 1126 from cnoeabs.peaks (2.66, 2.66, 41.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 PHE 40 + HB2 PHE 40 OK 100 100 - 100 HB3 ASP 65 + HB3 ASP 65 OK 86 86 - 100 HB2 ASP 82 + HB2 ASP 82 OK 80 80 - 100 Peak 1127 from cnoeabs.peaks (3.40, 2.66, 41.01 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 40 + HB2 PHE 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TRP 48 - HB2 PHE 40 far 0 100 0 - 6.9-7.8 HA ILE 77 - HB2 ASP 82 far 0 88 0 - 8.9-9.5 HA ILE 77 - HB2 PHE 40 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 1128 from cnoeabs.peaks (7.13, 2.66, 41.01 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 40 + HB2 PHE 40 OK 100 100 100 100 2.3-2.3 2.5=100 HZ PHE 40 - HB2 PHE 40 far 0 61 0 - 5.8-5.8 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (9.31, 2.66, 41.01 ppm; 5.18 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 41 + HB2 PHE 40 OK 100 100 100 100 4.3-4.4 4.5=100 H ALA 62 + HB3 ASP 65 OK 59 59 100 100 2.1-2.4 2.9/8390=90, 9653=73...(11) H TRP 42 - HB2 PHE 40 far 0 100 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 1132 from cnoeabs.peaks (9.07, 3.40, 41.01 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + HB3 PHE 40 OK 100 100 100 100 3.6-3.6 4.1=100 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (5.03, 3.40, 41.01 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 40 + HB3 PHE 40 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1134 from cnoeabs.peaks (2.66, 3.40, 41.01 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 40 + HB3 PHE 40 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1135 from cnoeabs.peaks (3.40, 3.40, 41.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 40 + HB3 PHE 40 OK 100 100 - 100 Peak 1136 from cnoeabs.peaks (7.13, 3.40, 41.01 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 40 + HB3 PHE 40 OK 100 100 100 100 2.5-2.7 2.5=100 HZ PHE 40 - HB3 PHE 40 far 0 61 0 - 5.8-5.8 Violated in 0 structures by 0.00 A. Peak 1139 from cnoeabs.peaks (9.31, 3.40, 41.01 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 41 + HB3 PHE 40 OK 100 100 100 100 3.4-3.6 4.5=100 H TRP 42 - HB3 PHE 40 far 0 100 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 1140 from cnoeabs.peaks (9.31, 4.61, 58.38 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 41 + HA PHE 41 OK 100 100 100 100 2.9-2.9 3.0=100 H TRP 42 + HA PHE 41 OK 98 100 100 99 2.2-2.3 6509=96, 9236/8132=29...(7) Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (4.61, 4.61, 58.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 41 + HA PHE 41 OK 100 100 - 100 Peak 1142 from cnoeabs.peaks (2.38, 4.61, 58.38 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 41 + HA PHE 41 OK 100 100 100 100 2.6-2.9 3.0=100 HB3 LEU 17 - HA PHE 41 far 0 91 0 - 6.4-7.1 HG2 GLN 50 - HA PHE 41 far 0 100 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 1143 from cnoeabs.peaks (3.03, 4.61, 58.38 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 41 + HA PHE 41 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1146 from cnoeabs.peaks (6.90, 4.61, 58.38 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 41 + HA PHE 41 OK 100 100 100 100 2.8-3.1 3.7=100 H LEU 17 - HA PHE 41 far 0 88 0 - 7.7-8.8 HH2 TRP 80 - HA PHE 41 far 0 88 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 1147 from cnoeabs.peaks (9.30, 4.61, 58.38 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: H PHE 41 + HA PHE 41 OK 100 100 100 100 2.9-2.9 3.0=100 * H TRP 42 + HA PHE 41 OK 99 100 100 99 2.2-2.3 6509=96, 9236/8132=30...(7) Violated in 0 structures by 0.00 A. Peak 1148 from cnoeabs.peaks (9.31, 2.38, 42.10 ppm; 4.53 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 41 + HB2 PHE 41 OK 100 100 100 100 2.1-3.6 4.0=100 H TRP 42 + HB2 PHE 41 OK 99 100 100 100 2.7-4.4 4.6=93, 6509/3.0=82...(7) Violated in 0 structures by 0.00 A. Peak 1149 from cnoeabs.peaks (4.61, 2.38, 42.10 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 41 + HB2 PHE 41 OK 100 100 100 100 2.6-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1150 from cnoeabs.peaks (2.38, 2.38, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 41 + HB2 PHE 41 OK 100 100 - 100 Peak 1151 from cnoeabs.peaks (3.03, 2.38, 42.10 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 41 + HB2 PHE 41 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1152 from cnoeabs.peaks (6.90, 2.38, 42.10 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 41 + HB2 PHE 41 OK 100 100 100 100 2.3-2.6 2.5=100 HH2 TRP 80 - HB2 PHE 41 far 0 88 0 - 8.6-11.4 H LEU 17 - HB2 PHE 41 far 0 88 0 - 9.0-11.2 Violated in 0 structures by 0.00 A. Peak 1155 from cnoeabs.peaks (9.30, 2.38, 42.10 ppm; 4.53 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 42 + HB2 PHE 41 OK 100 100 100 100 2.7-4.4 4.6=93, 6509/3.0=82...(7) H PHE 41 + HB2 PHE 41 OK 100 100 100 100 2.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1156 from cnoeabs.peaks (9.31, 3.03, 42.10 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 41 + HB3 PHE 41 OK 100 100 100 100 2.2-3.4 4.0=100 H TRP 42 + HB3 PHE 41 OK 99 100 100 99 2.9-4.2 4.6=84, 6509/3.0=79...(7) H LEU 36 - HE3 LYS 58 far 0 51 0 - 6.1-7.4 H ALA 62 - HE3 LYS 58 far 0 50 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 1157 from cnoeabs.peaks (4.61, 3.03, 42.10 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 41 + HB3 PHE 41 OK 100 100 100 100 2.7-3.0 3.0=100 HB THR 37 - HE3 LYS 58 poor 19 64 30 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 1158 from cnoeabs.peaks (2.38, 3.03, 42.10 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 41 + HB3 PHE 41 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 54 - HE3 LYS 58 far 0 42 0 - 5.1-7.0 HG2 GLN 50 - HB3 PHE 41 far 0 100 0 - 7.0-8.1 HB3 LEU 17 - HB3 PHE 41 far 0 91 0 - 8.1-9.1 HG2 GLU 56 - HE3 LYS 58 far 0 78 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 1159 from cnoeabs.peaks (3.03, 3.03, 42.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 41 + HB3 PHE 41 OK 100 100 - 100 HE3 LYS 58 + HE3 LYS 58 OK 61 61 - 100 Peak 1160 from cnoeabs.peaks (6.90, 3.03, 42.10 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 41 + HB3 PHE 41 OK 100 100 100 100 2.3-2.7 2.5=100 H TRP 60 - HE3 LYS 58 far 0 66 0 - 7.2-7.8 HH2 TRP 80 - HB3 PHE 41 far 0 88 0 - 9.4-11.0 H LEU 17 - HB3 PHE 41 far 0 88 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1163 from cnoeabs.peaks (9.30, 3.03, 42.10 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: H PHE 41 + HB3 PHE 41 OK 100 100 100 100 2.2-3.4 4.0=100 * H TRP 42 + HB3 PHE 41 OK 99 100 100 99 2.9-4.2 4.6=84, 6509/3.0=79...(7) H LEU 36 - HE3 LYS 58 far 0 61 0 - 6.1-7.4 H ALA 62 - HE3 LYS 58 far 0 39 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 1165 from cnoeabs.peaks (5.62, 5.62, 53.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 42 + HA TRP 42 OK 100 100 - 100 Peak 1166 from cnoeabs.peaks (3.17, 5.62, 53.20 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TRP 42 + HA TRP 42 OK 100 100 100 100 2.2-2.2 3.0=100 HB3 TRP 42 + HA TRP 42 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 ASP 46 - HA TRP 42 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 1167 from cnoeabs.peaks (3.17, 5.62, 53.20 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: HB2 TRP 42 + HA TRP 42 OK 100 100 100 100 2.2-2.2 3.0=100 * HB3 TRP 42 + HA TRP 42 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 ASP 46 - HA TRP 42 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 1174 from cnoeabs.peaks (5.62, 3.17, 31.06 ppm; 5.12 A): 4 out of 4 assignments used, quality = 1.00: * HA TRP 42 + HB2 TRP 42 OK 100 100 100 100 2.2-2.2 3.0=100 HA TRP 42 + HB3 TRP 42 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 22 + HB3 TRP 42 OK 50 98 100 51 3.7-3.9 6515/3.8=36...(3) HA ALA 22 + HB2 TRP 42 OK 49 98 100 51 5.3-5.6 6515/3.8=36...(3) Violated in 0 structures by 0.00 A. Peak 1175 from cnoeabs.peaks (3.17, 3.17, 31.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 TRP 42 + HB3 TRP 42 OK 100 100 - 100 * HB2 TRP 42 + HB2 TRP 42 OK 100 100 - 100 Peak 1176 from cnoeabs.peaks (3.17, 3.17, 31.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 TRP 42 + HB3 TRP 42 OK 100 100 - 100 HB2 TRP 42 + HB2 TRP 42 OK 100 100 - 100 Reference assignment not found: HB3 TRP 42 - HB2 TRP 42 Peak 1182 from cnoeabs.peaks (9.30, 3.17, 31.06 ppm; 5.71 A): 4 out of 4 assignments used, quality = 1.00: * H TRP 42 + HB3 TRP 42 OK 100 100 100 100 2.8-3.0 3.8=100 H TRP 42 + HB2 TRP 42 OK 100 100 100 100 3.8-3.9 3.8=100 H PHE 41 + HB3 TRP 42 OK 50 100 100 51 5.4-5.6 9233/8308=26...(4) H PHE 41 + HB2 TRP 42 OK 50 100 100 51 6.1-6.2 9233/8308=26...(4) Violated in 0 structures by 0.00 A. Peak 1183 from cnoeabs.peaks (5.62, 3.17, 31.06 ppm; 5.12 A): 4 out of 4 assignments used, quality = 1.00: HA TRP 42 + HB2 TRP 42 OK 100 100 100 100 2.2-2.2 3.0=100 * HA TRP 42 + HB3 TRP 42 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 22 + HB3 TRP 42 OK 50 98 100 51 3.7-3.9 6515/3.8=36...(3) HA ALA 22 + HB2 TRP 42 OK 49 98 100 51 5.3-5.6 6515/3.8=36...(3) Violated in 0 structures by 0.00 A. Peak 1184 from cnoeabs.peaks (3.17, 3.17, 31.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 TRP 42 + HB3 TRP 42 OK 100 100 - 100 HB2 TRP 42 + HB2 TRP 42 OK 100 100 - 100 Reference assignment not found: HB2 TRP 42 - HB3 TRP 42 Peak 1185 from cnoeabs.peaks (3.17, 3.17, 31.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 TRP 42 + HB3 TRP 42 OK 100 100 - 100 HB2 TRP 42 + HB2 TRP 42 OK 100 100 - 100 Peak 1195 from cnoeabs.peaks (3.52, 3.53, 49.50 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: HD2 PRO 43 + HD2 PRO 43 OK 97 97 - 100 Reference assignment not found: HA PRO 43 - HD2 PRO 43 Peak 1198 from cnoeabs.peaks (1.48, 3.53, 49.50 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * HG2 PRO 43 + HD2 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 QB ALA 45 - HD2 PRO 43 far 0 98 0 - 7.4-8.2 HB3 LYS 84 - HD2 PRO 43 far 0 61 0 - 8.5-11.0 HB ILE 77 - HD2 PRO 43 far 0 93 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 1199 from cnoeabs.peaks (1.92, 3.53, 49.50 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 43 + HD2 PRO 43 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 ARG 44 - HD2 PRO 43 poor 12 61 20 - 4.6-6.3 Violated in 0 structures by 0.00 A. Peak 1200 from cnoeabs.peaks (3.53, 3.53, 49.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 43 + HD2 PRO 43 OK 100 100 - 100 Peak 1201 from cnoeabs.peaks (3.86, 3.53, 49.50 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 43 + HD2 PRO 43 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLN 81 - HD2 PRO 43 far 0 100 0 - 6.3-8.8 Violated in 0 structures by 0.00 A. Peak 1203 from cnoeabs.peaks (3.52, 3.86, 49.50 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 43 + HD3 PRO 43 OK 99 100 100 99 3.6-4.1 3.6=97, 3.6/6530=36...(6) HD2 PRO 43 + HD3 PRO 43 OK 97 97 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1206 from cnoeabs.peaks (1.48, 3.86, 49.50 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * HG2 PRO 43 + HD3 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 QB ALA 45 - HD3 PRO 43 far 0 98 0 - 7.4-8.2 HB ILE 77 - HD3 PRO 43 far 0 93 0 - 8.8-10.3 HB3 LYS 84 - HD3 PRO 43 far 0 61 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 1207 from cnoeabs.peaks (1.92, 3.86, 49.50 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 43 + HD3 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 ARG 44 - HD3 PRO 43 poor 14 61 35 64 4.6-7.6 6528/6530=52, ~9251=17 Violated in 0 structures by 0.00 A. Peak 1208 from cnoeabs.peaks (3.53, 3.86, 49.50 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 43 + HD3 PRO 43 OK 100 100 100 100 1.8-1.8 1.8=100 HA PRO 43 + HD3 PRO 43 OK 95 97 100 98 3.6-4.1 3.6=96, 3.6/6530=36...(6) Violated in 0 structures by 0.00 A. Peak 1209 from cnoeabs.peaks (3.86, 3.86, 49.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 43 + HD3 PRO 43 OK 100 100 - 100 Peak 1210 from cnoeabs.peaks (7.59, 3.86, 49.50 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 44 + HD3 PRO 43 OK 100 100 100 100 2.9-4.0 6530=100, 6527/2.3=97...(7) HE21 GLN 19 - HD3 PRO 43 far 0 63 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. Peak 1211 from cnoeabs.peaks (3.52, 3.52, 63.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PRO 43 + HA PRO 43 OK 100 100 - 100 HB2 SER 38 + HB2 SER 38 OK 39 39 - 100 Peak 1212 from cnoeabs.peaks (0.58, 3.52, 63.05 ppm; 5.33 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 43 + HA PRO 43 OK 100 100 100 100 2.7-2.7 2.3=100 QD1 ILE 77 + HA PRO 43 OK 73 100 100 73 5.5-5.9 9968/11283=38...(3) Violated in 0 structures by 0.00 A. Peak 1213 from cnoeabs.peaks (1.64, 3.52, 63.05 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 43 + HA PRO 43 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 ARG 44 + HA PRO 43 OK 92 92 100 100 5.2-5.9 6526/3.6=96, 4.1/9267=78...(6) HB2 GLN 50 - HB2 SER 38 far 2 49 5 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 1214 from cnoeabs.peaks (1.48, 3.52, 63.05 ppm; 5.88 A): 2 out of 8 assignments used, quality = 1.00: * HG2 PRO 43 + HA PRO 43 OK 100 100 100 100 3.9-4.0 3.8=100 QB ALA 45 + HA PRO 43 OK 98 98 100 100 5.5-5.9 2.9/9267=89, ~8294=69...(9) QB ALA 45 - HB2 SER 38 far 0 52 0 - 7.9-8.5 HB3 LEU 51 - HB2 SER 38 far 0 55 0 - 8.2-10.2 HB ILE 77 - HA PRO 43 far 0 93 0 - 8.2-8.8 HD3 LYS 13 - HB2 SER 38 far 0 55 0 - 9.4-12.1 QB ALA 57 - HB2 SER 38 far 0 26 0 - 9.7-10.1 HB2 LEU 36 - HB2 SER 38 far 0 44 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1217 from cnoeabs.peaks (3.86, 3.52, 63.05 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 43 + HA PRO 43 OK 100 100 100 100 3.6-4.1 3.6=100 HA GLN 81 - HA PRO 43 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 1218 from cnoeabs.peaks (7.59, 3.52, 63.05 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 44 + HA PRO 43 OK 100 100 100 100 3.3-3.4 3.6=100 H GLN 49 - HA PRO 43 far 0 87 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 1219 from cnoeabs.peaks (3.52, 0.58, 31.96 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 43 + HB2 PRO 43 OK 100 100 100 100 2.7-2.7 2.3=100 HD2 PRO 43 + HB2 PRO 43 OK 97 97 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1220 from cnoeabs.peaks (0.58, 0.58, 31.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 43 + HB2 PRO 43 OK 100 100 - 100 Peak 1221 from cnoeabs.peaks (1.64, 0.58, 31.96 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 43 + HB2 PRO 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 44 - HB2 PRO 43 far 0 92 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 1227 from cnoeabs.peaks (3.52, 1.64, 31.96 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 43 + HB3 PRO 43 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 43 + HB3 PRO 43 OK 97 97 100 100 3.0-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1228 from cnoeabs.peaks (0.58, 1.64, 31.96 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 43 + HB3 PRO 43 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 ILE 77 - HB3 PRO 43 far 0 100 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 1229 from cnoeabs.peaks (1.64, 1.64, 31.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 43 + HB3 PRO 43 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 49 49 - 100 Peak 1230 from cnoeabs.peaks (1.48, 1.64, 31.96 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 43 + HB3 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 QB ALA 45 - HB3 PRO 43 far 0 98 0 - 7.2-7.5 HB ILE 77 - HB3 PRO 43 far 0 93 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (1.92, 1.64, 31.96 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HG3 PRO 43 + HB3 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 ARG 44 - HB3 PRO 43 far 0 61 0 - 6.6-7.7 HB2 GLU 110 - HB3 LYS 31 far 0 48 0 - 8.3-30.0 Violated in 0 structures by 0.00 A. Peak 1235 from cnoeabs.peaks (3.52, 1.48, 23.66 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 43 + HG2 PRO 43 OK 100 100 100 100 3.9-4.0 3.8=100 HD2 PRO 43 + HG2 PRO 43 OK 97 97 100 100 2.3-3.0 2.3=100 HA GLU 56 - HG3 LYS 58 far 0 64 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 1236 from cnoeabs.peaks (0.58, 1.48, 23.66 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 43 + HG2 PRO 43 OK 100 100 100 100 2.3-2.7 2.3=100 QD1 ILE 77 - HG2 PRO 43 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 1237 from cnoeabs.peaks (1.64, 1.48, 23.66 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PRO 43 + HG2 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 LYS 58 + HG3 LYS 58 OK 79 79 100 100 2.4-3.0 3.0=100 HB2 ARG 44 - HG2 PRO 43 far 0 92 0 - 5.7-7.9 HB2 LEU 55 - HG3 LYS 58 far 0 52 0 - 7.7-7.9 Violated in 0 structures by 0.00 A. Peak 1238 from cnoeabs.peaks (1.48, 1.48, 23.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 43 + HG2 PRO 43 OK 100 100 - 100 HG3 LYS 58 + HG3 LYS 58 OK 85 85 - 100 Peak 1239 from cnoeabs.peaks (1.92, 1.48, 23.66 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * HG3 PRO 43 + HG2 PRO 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 44 - HG2 PRO 43 far 0 61 0 - 5.1-6.7 HB2 GLU 54 - HG3 LYS 58 far 0 62 0 - 6.6-7.0 HB2 GLU 56 - HG3 LYS 58 far 0 86 0 - 8.8-9.0 HG3 GLU 56 - HG3 LYS 58 far 0 69 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 1240 from cnoeabs.peaks (3.53, 1.48, 23.66 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 43 + HG2 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 HA PRO 43 + HG2 PRO 43 OK 97 97 100 100 3.9-4.0 3.8=100 HA GLU 56 - HG3 LYS 58 far 0 83 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (3.86, 1.48, 23.66 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 43 + HG2 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 HA ILE 61 - HG3 LYS 58 far 0 52 0 - 6.6-7.2 HA GLN 81 - HG2 PRO 43 far 0 100 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 1243 from cnoeabs.peaks (3.52, 1.92, 23.66 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 43 + HG3 PRO 43 OK 100 100 100 100 3.9-4.0 3.8=100 HD2 PRO 43 + HG3 PRO 43 OK 97 97 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1244 from cnoeabs.peaks (0.58, 1.92, 23.66 ppm; 5.38 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 43 + HG3 PRO 43 OK 100 100 100 100 2.3-2.7 2.3=100 QD1 ILE 77 - HG3 PRO 43 far 0 100 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 1245 from cnoeabs.peaks (1.64, 1.92, 23.66 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 43 + HG3 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 ARG 44 - HG3 PRO 43 far 0 92 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 1246 from cnoeabs.peaks (1.48, 1.92, 23.66 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 43 + HG3 PRO 43 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 45 - HG3 PRO 43 far 0 98 0 - 7.3-8.5 HB3 LYS 84 - HG3 PRO 43 far 0 61 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 1247 from cnoeabs.peaks (1.92, 1.92, 23.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 43 + HG3 PRO 43 OK 100 100 - 100 Peak 1248 from cnoeabs.peaks (3.53, 1.92, 23.66 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 43 + HG3 PRO 43 OK 100 100 100 100 2.3-2.7 2.3=100 HA PRO 43 + HG3 PRO 43 OK 97 97 100 100 3.9-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1249 from cnoeabs.peaks (3.86, 1.92, 23.66 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 43 + HG3 PRO 43 OK 100 100 100 100 2.3-3.0 2.3=100 HA GLN 81 - HG3 PRO 43 far 0 100 0 - 7.4-9.6 Violated in 0 structures by 0.00 A. Peak 1251 from cnoeabs.peaks (7.59, 3.77, 59.38 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 44 + HA ARG 44 OK 100 100 100 100 2.6-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 1252 from cnoeabs.peaks (3.77, 3.77, 59.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 44 + HA ARG 44 OK 100 100 - 100 Peak 1253 from cnoeabs.peaks (1.62, 3.77, 59.38 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 44 + HA ARG 44 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 PRO 43 - HA ARG 44 far 0 92 0 - 5.8-5.9 Violated in 0 structures by 0.00 A. Peak 1254 from cnoeabs.peaks (1.89, 3.77, 59.38 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 44 + HA ARG 44 OK 100 100 100 100 2.4-2.9 3.0=100 HG3 PRO 43 - HA ARG 44 far 0 61 0 - 4.1-5.9 Violated in 0 structures by 0.00 A. Peak 1255 from cnoeabs.peaks (1.57, 3.77, 59.38 ppm; 3.70 A increased from 2.96 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 44 + HA ARG 44 OK 100 100 100 100 2.2-3.6 4.0=80, 6544/3.6=49...(22) HG3 ARG 44 + HA ARG 44 OK 100 100 100 100 2.5-3.9 4.0=80, 1.8/1279=38...(22) Violated in 0 structures by 0.00 A. Peak 1256 from cnoeabs.peaks (1.57, 3.77, 59.38 ppm; 3.70 A increased from 2.96 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 44 + HA ARG 44 OK 100 100 100 100 2.2-3.6 4.0=80, 6545/3.6=49...(22) * HG3 ARG 44 + HA ARG 44 OK 100 100 100 100 2.5-3.9 4.0=80, 1.8/1279=38...(22) Violated in 0 structures by 0.00 A. Peak 1257 from cnoeabs.peaks (2.97, 3.77, 59.38 ppm; 4.38 A increased from 4.12 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 44 + HA ARG 44 OK 99 100 100 99 2.0-4.4 5.4=53, 1.8/1297=39...(16) * HD2 ARG 44 + HA ARG 44 OK 99 100 100 99 2.0-4.9 5.4=53, 1.8/1306=39...(16) Violated in 0 structures by 0.00 A. Peak 1258 from cnoeabs.peaks (2.97, 3.77, 59.38 ppm; 4.38 A increased from 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 44 + HA ARG 44 OK 99 100 100 99 2.0-4.4 5.4=53, 1.8/1297=39...(16) HD2 ARG 44 + HA ARG 44 OK 99 100 100 99 2.0-4.9 5.4=53, 1.8/1306=39...(16) Violated in 0 structures by 0.00 A. Peak 1259 from cnoeabs.peaks (8.73, 3.77, 59.38 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 45 + HA ARG 44 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1260 from cnoeabs.peaks (7.59, 1.62, 30.40 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.5-3.5 3.9=100 HE21 GLN 19 - HB2 ARG 44 far 0 63 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 1261 from cnoeabs.peaks (3.77, 1.62, 30.40 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.8-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1262 from cnoeabs.peaks (1.62, 1.62, 30.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 44 + HB2 ARG 44 OK 100 100 - 100 Peak 1263 from cnoeabs.peaks (1.89, 1.62, 30.40 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 44 + HB2 ARG 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 43 - HB2 ARG 44 far 0 61 0 - 6.4-7.8 HB2 LEU 17 - HB2 ARG 44 far 0 84 0 - 8.9-10.7 HB2 GLU 110 - HB2 ARG 44 far 0 100 0 - 10.0-26.3 Violated in 0 structures by 0.00 A. Peak 1264 from cnoeabs.peaks (1.57, 1.62, 30.40 ppm; 3.13 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.3-2.7 2.9=100 HG3 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1265 from cnoeabs.peaks (1.57, 1.62, 30.40 ppm; 3.13 A): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.3-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 1266 from cnoeabs.peaks (2.97, 1.62, 30.40 ppm; 3.84 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.6-4.1 3.5=100 HB3 HIS 111 - HB2 ARG 44 far 0 92 0 - 8.3-24.3 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (2.97, 1.62, 30.40 ppm; 3.84 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.0-4.0 3.5=100 * HD3 ARG 44 + HB2 ARG 44 OK 100 100 100 100 2.6-4.1 3.5=100 HB3 HIS 111 - HB2 ARG 44 far 0 91 0 - 8.3-24.3 Violated in 0 structures by 0.00 A. Peak 1268 from cnoeabs.peaks (8.73, 1.62, 30.40 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 45 + HB2 ARG 44 OK 100 100 100 100 2.1-2.7 4.1=100 Violated in 0 structures by 0.00 A. Peak 1269 from cnoeabs.peaks (7.59, 1.89, 30.40 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.2-3.6 6533=93, 6532/1.8=76...(13) HE21 GLN 19 - HB2 GLN 89 far 0 47 0 - 6.7-11.8 HE21 GLN 19 - HB3 ARG 44 far 0 63 0 - 8.9-14.9 H GLN 86 - HB2 GLN 89 far 0 51 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (3.77, 1.89, 30.40 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.4-2.9 3.0=100 HA LYS 84 - HB2 GLN 89 far 0 48 0 - 6.1-9.2 HA TRP 80 - HB2 GLN 89 far 0 84 0 - 8.7-11.4 HB3 TRP 16 - HB2 GLN 89 far 0 81 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 1271 from cnoeabs.peaks (1.62, 1.89, 30.40 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 44 + HB3 ARG 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 43 - HB3 ARG 44 far 0 92 0 - 6.6-7.7 HB2 GLN 50 - HB3 ARG 44 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1272 from cnoeabs.peaks (1.89, 1.89, 30.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 44 + HB3 ARG 44 OK 100 100 - 100 HB2 GLN 89 + HB2 GLN 89 OK 64 64 - 100 Peak 1273 from cnoeabs.peaks (1.57, 1.89, 30.40 ppm; 3.15 A increased from 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 83 - HB2 GLN 89 far 0 76 0 - 5.5-8.3 Violated in 0 structures by 0.00 A. Peak 1274 from cnoeabs.peaks (1.57, 1.89, 30.40 ppm; 3.15 A increased from 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 83 - HB2 GLN 89 far 0 78 0 - 5.5-8.3 Violated in 0 structures by 0.00 A. Peak 1275 from cnoeabs.peaks (2.97, 1.89, 30.40 ppm; 3.80 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.2-3.9 3.5=100 * HD2 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.4-3.6 3.5=100 HB3 HIS 111 - HB3 ARG 44 far 0 92 0 - 8.6-24.6 Violated in 0 structures by 0.00 A. Peak 1276 from cnoeabs.peaks (2.97, 1.89, 30.40 ppm; 3.80 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.2-3.9 3.5=100 HD2 ARG 44 + HB3 ARG 44 OK 100 100 100 100 2.4-3.6 3.5=100 HB3 HIS 111 - HB3 ARG 44 far 0 91 0 - 8.6-24.6 Violated in 0 structures by 0.00 A. Peak 1277 from cnoeabs.peaks (8.73, 1.89, 30.40 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 45 + HB3 ARG 44 OK 100 100 100 100 2.8-4.0 4.1=100 H ASN 85 - HB2 GLN 89 far 0 53 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 1278 from cnoeabs.peaks (7.59, 1.57, 26.05 ppm; 4.50 A increased from 4.24 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 44 + HG2 ARG 44 OK 100 100 100 100 1.9-4.5 6532/2.9=81, 1269/2.9=79...(17) H ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.4-4.6 6532/2.9=81, 1269/2.9=79...(17) HE21 GLN 19 - HG2 ARG 44 far 0 63 0 - 8.8-14.4 HE21 GLN 19 - HG3 ARG 44 far 0 63 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 1279 from cnoeabs.peaks (3.77, 1.57, 26.05 ppm; 3.58 A increased from 3.37 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.6 4.0=72, 3.6/6544=46...(22) HA ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.5-3.9 4.0=72, 3.0/1280=36...(22) Violated in 0 structures by 0.00 A. Peak 1280 from cnoeabs.peaks (1.62, 1.57, 26.05 ppm; 2.57 A): 2 out of 5 assignments used, quality = 0.99: * HB2 ARG 44 + HG2 ARG 44 OK 91 100 100 91 2.3-2.7 2.9=69, 4.1/6544=18...(20) HB2 ARG 44 + HG3 ARG 44 OK 90 100 100 90 2.4-3.0 2.9=69, 3.0/1279=13...(20) HB3 PRO 43 - HG2 ARG 44 far 0 92 0 - 6.2-8.7 HB3 PRO 43 - HG3 ARG 44 far 0 92 0 - 6.5-9.0 HB2 GLN 50 - HG2 ARG 44 far 0 100 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1281 from cnoeabs.peaks (1.89, 1.57, 26.05 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 PRO 43 - HG2 ARG 44 far 0 61 0 - 5.9-8.7 HG3 PRO 43 - HG3 ARG 44 far 0 61 0 - 5.9-9.0 HB2 LEU 17 - HG2 ARG 44 far 0 84 0 - 8.0-11.4 HB2 LEU 17 - HG3 ARG 44 far 0 84 0 - 8.2-10.9 HB2 GLU 110 - HG3 ARG 44 far 0 100 0 - 9.8-27.9 Violated in 0 structures by 0.00 A. Peak 1282 from cnoeabs.peaks (1.57, 1.57, 26.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 44 + HG2 ARG 44 OK 100 100 - 100 HG3 ARG 44 + HG3 ARG 44 OK 100 100 - 100 Peak 1283 from cnoeabs.peaks (1.57, 1.57, 26.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 44 + HG3 ARG 44 OK 100 100 - 100 HG2 ARG 44 + HG2 ARG 44 OK 100 100 - 100 Reference assignment not found: HG3 ARG 44 - HG2 ARG 44 Peak 1284 from cnoeabs.peaks (2.97, 1.57, 26.05 ppm; 3.14 A): 4 out of 6 assignments used, quality = 1.00: * HD2 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 111 - HG3 ARG 44 far 0 92 0 - 6.5-25.7 HB3 HIS 111 - HG2 ARG 44 far 0 92 0 - 7.6-24.4 Violated in 0 structures by 0.00 A. Peak 1285 from cnoeabs.peaks (2.97, 1.57, 26.05 ppm; 3.14 A): 4 out of 6 assignments used, quality = 1.00: * HD3 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 111 - HG3 ARG 44 far 0 91 0 - 6.5-25.7 HB3 HIS 111 - HG2 ARG 44 far 0 91 0 - 7.6-24.4 Violated in 0 structures by 0.00 A. Peak 1286 from cnoeabs.peaks (8.73, 1.57, 26.05 ppm; 4.78 A increased from 4.50 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 45 + HG2 ARG 44 OK 100 100 100 100 3.5-4.8 6544=100, 6542/2.9=85...(8) H ALA 45 + HG3 ARG 44 OK 100 100 100 100 4.3-4.8 6545/1.8=98, 6542/2.9=85...(8) Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (7.59, 1.57, 26.05 ppm; 4.50 A increased from 4.24 A): 2 out of 4 assignments used, quality = 1.00: H ARG 44 + HG2 ARG 44 OK 100 100 100 100 1.9-4.5 6532/2.9=81, 1269/2.9=79...(17) * H ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.4-4.6 6532/2.9=81, 1269/2.9=79...(17) HE21 GLN 19 - HG2 ARG 44 far 0 63 0 - 8.8-14.4 HE21 GLN 19 - HG3 ARG 44 far 0 63 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 1288 from cnoeabs.peaks (3.77, 1.57, 26.05 ppm; 3.58 A increased from 3.37 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.6 4.0=72, 3.6/6545=46...(22) * HA ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.5-3.9 4.0=72, 3.0/1289=36...(22) Violated in 0 structures by 0.00 A. Peak 1289 from cnoeabs.peaks (1.62, 1.57, 26.05 ppm; 2.57 A): 2 out of 5 assignments used, quality = 0.99: HB2 ARG 44 + HG2 ARG 44 OK 91 100 100 91 2.3-2.7 2.9=69, 4.1/6545=18...(20) * HB2 ARG 44 + HG3 ARG 44 OK 90 100 100 90 2.4-3.0 2.9=69, 3.0/1288=13...(20) HB3 PRO 43 - HG2 ARG 44 far 0 92 0 - 6.2-8.7 HB3 PRO 43 - HG3 ARG 44 far 0 92 0 - 6.5-9.0 HB2 GLN 50 - HG2 ARG 44 far 0 100 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1290 from cnoeabs.peaks (1.89, 1.57, 26.05 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 PRO 43 - HG2 ARG 44 far 0 61 0 - 5.9-8.7 HG3 PRO 43 - HG3 ARG 44 far 0 61 0 - 5.9-9.0 HB2 LEU 17 - HG2 ARG 44 far 0 84 0 - 8.0-11.4 HB2 LEU 17 - HG3 ARG 44 far 0 84 0 - 8.2-10.9 HB2 GLU 110 - HG3 ARG 44 far 0 100 0 - 9.8-27.9 Violated in 0 structures by 0.00 A. Peak 1291 from cnoeabs.peaks (1.57, 1.57, 26.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 44 + HG3 ARG 44 OK 100 100 - 100 HG2 ARG 44 + HG2 ARG 44 OK 100 100 - 100 Reference assignment not found: HG2 ARG 44 - HG3 ARG 44 Peak 1292 from cnoeabs.peaks (1.57, 1.57, 26.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 44 + HG3 ARG 44 OK 100 100 - 100 HG2 ARG 44 + HG2 ARG 44 OK 100 100 - 100 Peak 1293 from cnoeabs.peaks (2.97, 1.57, 26.05 ppm; 3.14 A): 4 out of 6 assignments used, quality = 1.00: * HD2 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 111 - HG3 ARG 44 far 0 92 0 - 6.5-25.7 HB3 HIS 111 - HG2 ARG 44 far 0 92 0 - 7.6-24.4 Violated in 0 structures by 0.00 A. Peak 1294 from cnoeabs.peaks (2.97, 1.57, 26.05 ppm; 3.14 A): 4 out of 6 assignments used, quality = 1.00: * HD3 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 44 + HG3 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 44 + HG2 ARG 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 111 - HG3 ARG 44 far 0 91 0 - 6.5-25.7 HB3 HIS 111 - HG2 ARG 44 far 0 91 0 - 7.6-24.4 Violated in 0 structures by 0.00 A. Peak 1295 from cnoeabs.peaks (8.73, 1.57, 26.05 ppm; 4.78 A increased from 4.50 A): 2 out of 2 assignments used, quality = 1.00: H ALA 45 + HG2 ARG 44 OK 100 100 100 100 3.5-4.8 6545=100, 6542/2.9=85...(8) * H ALA 45 + HG3 ARG 44 OK 100 100 100 100 4.3-4.8 6545/1.8=98, 6542/2.9=85...(8) Violated in 0 structures by 0.00 A. Peak 1296 from cnoeabs.peaks (7.59, 2.97, 43.70 ppm; 4.98 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 44 + HD2 ARG 44 OK 100 100 100 100 2.6-5.0 6532/3.5=82, 1269/3.5=80...(16) H ARG 44 + HD3 ARG 44 OK 80 100 80 100 2.5-5.8 6532/3.5=82, 1269/3.5=80...(17) HE21 GLN 19 - HD3 ARG 44 far 0 63 0 - 8.1-15.2 HE21 GLN 19 - HD2 ARG 44 far 0 63 0 - 8.2-14.6 Violated in 0 structures by 0.00 A. Peak 1297 from cnoeabs.peaks (3.77, 2.97, 43.70 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 44 + HD3 ARG 44 OK 99 100 100 99 2.0-4.4 5.4=51, 1257/1.8=38...(17) * HA ARG 44 + HD2 ARG 44 OK 99 100 100 99 2.0-4.9 5.4=51, 1258/1.8=38...(16) Violated in 0 structures by 0.00 A. Peak 1298 from cnoeabs.peaks (1.62, 2.97, 43.70 ppm; 3.91 A increased from 3.13 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 44 + HD2 ARG 44 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 ARG 44 + HD3 ARG 44 OK 100 100 100 100 2.6-4.1 3.5=100 HB3 PRO 43 - HD3 ARG 44 far 0 92 0 - 6.1-10.0 HB3 PRO 43 - HD2 ARG 44 far 0 92 0 - 6.5-9.3 HB2 GLN 50 - HD2 ARG 44 far 0 100 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 1299 from cnoeabs.peaks (1.89, 2.97, 43.70 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: HB3 ARG 44 + HD3 ARG 44 OK 100 100 100 100 2.2-3.9 3.5=100 * HB3 ARG 44 + HD2 ARG 44 OK 100 100 100 100 2.4-3.6 3.5=100 HG3 PRO 43 - HD2 ARG 44 far 3 61 5 - 4.2-9.4 HG3 PRO 43 - HD3 ARG 44 far 0 61 0 - 4.5-9.9 HB2 LEU 17 - HD2 ARG 44 far 0 84 0 - 7.8-11.2 HB2 LEU 17 - HD3 ARG 44 far 0 84 0 - 8.2-11.8 HB2 GLU 110 - HD3 ARG 44 far 0 100 0 - 8.5-28.9 HB2 GLU 110 - HD2 ARG 44 far 0 100 0 - 8.5-29.5 Violated in 0 structures by 0.00 A. Peak 1300 from cnoeabs.peaks (1.57, 2.97, 43.70 ppm; 2.87 A): 4 out of 7 assignments used, quality = 1.00: * HG2 ARG 44 + HD2 ARG 44 OK 94 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) HG2 ARG 44 + HD3 ARG 44 OK 94 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) HG3 ARG 44 + HD2 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) HG3 ARG 44 + HD3 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) HB3 LEU 109 - HD2 ARG 44 far 0 94 0 - 8.3-25.3 HB3 LEU 109 - HD3 ARG 44 far 0 94 0 - 9.2-26.9 HG LEU 109 - HD2 ARG 44 far 0 61 0 - 9.9-26.9 Violated in 0 structures by 0.00 A. Peak 1301 from cnoeabs.peaks (1.57, 2.97, 43.70 ppm; 2.87 A): 4 out of 7 assignments used, quality = 1.00: HG2 ARG 44 + HD2 ARG 44 OK 94 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) HG2 ARG 44 + HD3 ARG 44 OK 93 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) * HG3 ARG 44 + HD2 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) HG3 ARG 44 + HD3 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) HB3 LEU 109 - HD2 ARG 44 far 0 96 0 - 8.3-25.3 HB3 LEU 109 - HD3 ARG 44 far 0 96 0 - 9.2-26.9 HG LEU 109 - HD2 ARG 44 far 0 65 0 - 9.9-26.9 Violated in 0 structures by 0.00 A. Peak 1302 from cnoeabs.peaks (2.97, 2.97, 43.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 44 + HD2 ARG 44 OK 100 100 - 100 HD3 ARG 44 + HD3 ARG 44 OK 100 100 - 100 Peak 1303 from cnoeabs.peaks (2.97, 2.97, 43.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 44 + HD3 ARG 44 OK 100 100 - 100 HD2 ARG 44 + HD2 ARG 44 OK 100 100 - 100 Reference assignment not found: HD3 ARG 44 - HD2 ARG 44 Peak 1305 from cnoeabs.peaks (7.59, 2.97, 43.70 ppm; 4.98 A): 2 out of 4 assignments used, quality = 1.00: H ARG 44 + HD2 ARG 44 OK 100 100 100 100 2.6-5.0 6532/3.5=82, 1269/3.5=80...(16) * H ARG 44 + HD3 ARG 44 OK 80 100 80 100 2.5-5.8 6532/3.5=82, 1269/3.5=80...(17) HE21 GLN 19 - HD3 ARG 44 far 0 63 0 - 8.1-15.2 HE21 GLN 19 - HD2 ARG 44 far 0 63 0 - 8.2-14.6 Violated in 0 structures by 0.00 A. Peak 1306 from cnoeabs.peaks (3.77, 2.97, 43.70 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 44 + HD3 ARG 44 OK 99 100 100 99 2.0-4.4 5.4=51, 1257/1.8=38...(17) HA ARG 44 + HD2 ARG 44 OK 99 100 100 99 2.0-4.9 5.4=51, 1258/1.8=38...(16) Violated in 0 structures by 0.00 A. Peak 1307 from cnoeabs.peaks (1.62, 2.97, 43.70 ppm; 3.91 A increased from 3.13 A): 2 out of 5 assignments used, quality = 1.00: HB2 ARG 44 + HD2 ARG 44 OK 100 100 100 100 2.0-4.0 3.5=100 * HB2 ARG 44 + HD3 ARG 44 OK 100 100 100 100 2.6-4.1 3.5=100 HB3 PRO 43 - HD3 ARG 44 far 0 92 0 - 6.1-10.0 HB3 PRO 43 - HD2 ARG 44 far 0 92 0 - 6.5-9.3 HB2 GLN 50 - HD2 ARG 44 far 0 100 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 1308 from cnoeabs.peaks (1.89, 2.97, 43.70 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 44 + HD3 ARG 44 OK 100 100 100 100 2.2-3.9 3.5=100 HB3 ARG 44 + HD2 ARG 44 OK 100 100 100 100 2.4-3.6 3.5=100 HG3 PRO 43 - HD2 ARG 44 far 3 61 5 - 4.2-9.4 HG3 PRO 43 - HD3 ARG 44 far 0 61 0 - 4.5-9.9 HB2 LEU 17 - HD2 ARG 44 far 0 84 0 - 7.8-11.2 HB2 LEU 17 - HD3 ARG 44 far 0 84 0 - 8.2-11.8 HB2 GLU 110 - HD3 ARG 44 far 0 100 0 - 8.5-28.9 HB2 GLU 110 - HD2 ARG 44 far 0 100 0 - 8.5-29.5 Violated in 0 structures by 0.00 A. Peak 1309 from cnoeabs.peaks (1.57, 2.97, 43.70 ppm; 2.87 A): 4 out of 7 assignments used, quality = 1.00: HG2 ARG 44 + HD2 ARG 44 OK 94 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) * HG2 ARG 44 + HD3 ARG 44 OK 94 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) HG3 ARG 44 + HD2 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) HG3 ARG 44 + HD3 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) HB3 LEU 109 - HD2 ARG 44 far 0 94 0 - 8.3-25.3 HB3 LEU 109 - HD3 ARG 44 far 0 94 0 - 9.2-26.9 HG LEU 109 - HD2 ARG 44 far 0 61 0 - 9.9-26.9 Violated in 0 structures by 0.00 A. Peak 1310 from cnoeabs.peaks (1.57, 2.97, 43.70 ppm; 2.87 A): 4 out of 7 assignments used, quality = 1.00: HG2 ARG 44 + HD2 ARG 44 OK 94 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) HG2 ARG 44 + HD3 ARG 44 OK 94 100 100 94 2.2-3.0 3.0=88, 1280/3.5=20...(8) HG3 ARG 44 + HD2 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) * HG3 ARG 44 + HD3 ARG 44 OK 93 100 100 93 2.2-3.0 3.0=88, 1289/3.5=19...(8) HB3 LEU 109 - HD2 ARG 44 far 0 96 0 - 8.3-25.3 HB3 LEU 109 - HD3 ARG 44 far 0 96 0 - 9.2-26.9 HG LEU 109 - HD2 ARG 44 far 0 65 0 - 9.9-26.9 Violated in 0 structures by 0.00 A. Peak 1311 from cnoeabs.peaks (2.97, 2.97, 43.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 44 + HD3 ARG 44 OK 100 100 - 100 HD2 ARG 44 + HD2 ARG 44 OK 100 100 - 100 Reference assignment not found: HD2 ARG 44 - HD3 ARG 44 Peak 1312 from cnoeabs.peaks (2.97, 2.97, 43.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 44 + HD3 ARG 44 OK 100 100 - 100 HD2 ARG 44 + HD2 ARG 44 OK 100 100 - 100 Peak 1313 from cnoeabs.peaks (8.73, 2.97, 43.70 ppm; 5.34 A increased from 5.02 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 45 + HD3 ARG 44 OK 100 100 100 100 4.5-5.9 6545/3.0=94, 6542/3.5=87...(7) H ALA 45 + HD2 ARG 44 OK 95 100 95 100 3.9-6.0 6545/3.0=94, 6542/3.5=87...(7) Violated in 0 structures by 0.00 A. Peak 1314 from cnoeabs.peaks (8.73, 4.51, 49.72 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 45 + HA ALA 45 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1315 from cnoeabs.peaks (4.51, 4.51, 49.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 45 + HA ALA 45 OK 100 100 - 100 Peak 1316 from cnoeabs.peaks (1.47, 4.51, 49.72 ppm; 2.62 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 45 + HA ALA 45 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 43 - HA ALA 45 far 0 98 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 1317 from cnoeabs.peaks (8.51, 4.51, 49.72 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + HA ALA 45 OK 100 100 100 100 2.1-2.2 6553=100, 1321/2.1=63, ~8298=19 Violated in 0 structures by 0.00 A. Peak 1318 from cnoeabs.peaks (8.73, 1.47, 21.93 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 45 + QB ALA 45 OK 100 100 100 100 2.5-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 1319 from cnoeabs.peaks (4.51, 1.47, 21.93 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 45 + QB ALA 45 OK 100 100 100 100 2.1-2.1 2.1=100 HA TYR 39 - QB ALA 45 far 0 98 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 1320 from cnoeabs.peaks (1.47, 1.47, 21.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 45 + QB ALA 45 OK 100 100 - 100 Peak 1321 from cnoeabs.peaks (8.51, 1.47, 21.93 ppm; 3.39 A increased from 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + QB ALA 45 OK 100 100 100 100 2.9-3.4 6554=98, 6553/2.1=68...(7) Violated in 0 structures by 0.00 A. Peak 1322 from cnoeabs.peaks (8.51, 5.13, 51.71 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + HA ASP 46 OK 100 100 100 100 2.5-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 1323 from cnoeabs.peaks (5.13, 5.13, 51.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 46 + HA ASP 46 OK 100 100 - 100 HA ASN 20 + HA ASN 20 OK 63 63 - 100 Peak 1324 from cnoeabs.peaks (2.58, 5.13, 51.71 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 46 + HA ASP 46 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 53 - HA ASP 46 far 0 91 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (3.17, 5.13, 51.71 ppm; 3.58 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ASP 46 + HA ASP 46 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 TRP 42 + HA ASP 46 OK 65 100 100 65 3.6-4.0 4.2/9262=34...(5) HB3 TRP 42 - HA ASP 46 far 0 100 0 - 5.1-5.5 HB3 TRP 42 - HA ASN 20 far 0 77 0 - 6.6-6.9 HB2 TRP 42 - HA ASN 20 far 0 77 0 - 7.5-7.7 HB2 TRP 16 - HA ASN 20 far 0 50 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 1326 from cnoeabs.peaks (7.86, 5.13, 51.71 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 47 + HA ASP 46 OK 100 100 100 100 2.2-2.3 6561=100, 2.9/9274=36...(9) HE22 GLN 49 - HA ASP 46 far 0 85 0 - 7.1-7.4 H ALA 47 - HA ASN 20 far 0 77 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1327 from cnoeabs.peaks (8.51, 2.58, 37.84 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + HB2 ASP 46 OK 100 100 100 100 2.1-3.1 3.9=100 Violated in 0 structures by 0.00 A. Peak 1328 from cnoeabs.peaks (5.13, 2.58, 37.84 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + HB2 ASP 46 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1329 from cnoeabs.peaks (2.58, 2.58, 37.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 46 + HB2 ASP 46 OK 100 100 - 100 Peak 1330 from cnoeabs.peaks (3.17, 2.58, 37.84 ppm; 3.07 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 46 + HB2 ASP 46 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TRP 42 - HB2 ASP 46 far 0 100 0 - 6.2-6.6 HB3 TRP 42 - HB2 ASP 46 far 0 100 0 - 7.4-8.0 HA LYS 52 - HB2 ASP 46 far 0 97 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (7.86, 2.58, 37.84 ppm; 5.52 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 47 + HB2 ASP 46 OK 100 100 100 100 4.3-4.7 4.6=100 HE22 GLN 49 + HB2 ASP 46 OK 42 85 50 98 5.3-6.5 4.5/9370=65...(5) Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (8.51, 3.17, 37.84 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + HB3 ASP 46 OK 100 100 100 100 3.3-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 1333 from cnoeabs.peaks (5.13, 3.17, 37.84 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + HB3 ASP 46 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1334 from cnoeabs.peaks (2.58, 3.17, 37.84 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 46 + HB3 ASP 46 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 53 - HB3 ASP 46 far 0 91 0 - 6.5-8.9 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (3.17, 3.17, 37.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 46 + HB3 ASP 46 OK 100 100 - 100 HB3 ASN 85 + HB3 ASN 85 OK 60 60 - 100 Peak 1337 from cnoeabs.peaks (7.86, 4.23, 54.83 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 47 + HA ALA 47 OK 100 100 100 100 2.8-2.9 2.9=100 HE22 GLN 49 - HA ALA 47 far 0 85 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 1338 from cnoeabs.peaks (4.23, 4.23, 54.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 47 + HA ALA 47 OK 100 100 - 100 HA LEU 109 + HA LEU 109 OK 42 42 - 100 Peak 1339 from cnoeabs.peaks (1.43, 4.23, 54.83 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 47 + HA ALA 47 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 52 - HA ALA 47 far 0 73 0 - 8.2-9.2 HB ILE 77 - HA ALA 47 far 0 70 0 - 8.5-8.8 HG13 ILE 11 - HA LEU 109 far 0 66 0 - 9.9-22.2 Violated in 0 structures by 0.00 A. Peak 1340 from cnoeabs.peaks (8.05, 4.23, 54.83 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HA ALA 47 OK 100 100 100 100 3.6-3.8 6581=100, 6592/10414=66...(10) Violated in 0 structures by 0.00 A. Peak 1341 from cnoeabs.peaks (1.63, 4.23, 54.83 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 50 + HA ALA 47 OK 100 100 100 100 4.1-4.4 1401=100, 1.8/1342=67...(10) HB2 ARG 44 - HA ALA 47 far 0 100 0 - 6.9-7.4 HB3 LYS 13 - HA LEU 109 far 0 50 0 - 8.0-14.9 HB3 PRO 43 - HA ALA 47 far 0 96 0 - 8.6-8.9 HB ILE 11 - HA LEU 109 far 0 66 0 - 8.7-20.3 Violated in 0 structures by 0.00 A. Peak 1342 from cnoeabs.peaks (1.03, 4.23, 54.83 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 50 + HA ALA 47 OK 100 100 100 100 2.6-2.8 1411=95, 1.8/1401=91...(10) QG2 THR 33 - HA LEU 109 far 0 62 0 - 6.9-18.5 QG2 THR 37 - HA ALA 47 far 0 71 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 1343 from cnoeabs.peaks (7.86, 1.43, 20.20 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 47 + QB ALA 47 OK 100 100 100 100 2.0-2.1 2.9=100 HE22 GLN 49 - QB ALA 47 far 0 85 0 - 7.7-8.0 H THR 37 - QB ALA 47 far 0 59 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1344 from cnoeabs.peaks (4.23, 1.43, 20.20 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 47 + QB ALA 47 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 24 - QB ALA 47 far 0 85 0 - 5.7-6.0 HB THR 74 - QB ALA 47 far 0 100 0 - 8.0-8.4 HA SER 38 - QB ALA 47 far 0 98 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 1345 from cnoeabs.peaks (1.43, 1.43, 20.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 47 + QB ALA 47 OK 100 100 - 100 Peak 1346 from cnoeabs.peaks (3.46, 3.46, 57.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 49 + HA GLN 49 OK 100 100 - 100 HA LEU 51 + HA LEU 51 OK 66 66 - 100 Peak 1347 from cnoeabs.peaks (2.06, 3.46, 57.68 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 49 + HA GLN 49 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLN 50 - HA GLN 49 far 0 95 0 - 5.7-6.0 HG3 GLN 50 - HA LEU 51 far 0 64 0 - 6.4-6.5 HB2 GLN 49 - HA LEU 51 far 0 72 0 - 7.4-7.6 HB2 TYR 39 - HA LEU 51 far 0 54 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1348 from cnoeabs.peaks (2.25, 3.46, 57.68 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 49 + HA GLN 49 OK 100 100 100 100 2.3-2.4 3.0=100 HG3 GLU 54 - HA LEU 51 far 0 69 0 - 4.4-5.1 HB3 GLN 49 - HA LEU 51 far 0 72 0 - 8.1-8.2 HG3 GLU 54 - HA GLN 49 far 0 99 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 1349 from cnoeabs.peaks (2.30, 3.46, 57.68 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 49 + HA GLN 49 OK 100 100 100 100 3.7-3.9 4.0=100 HG3 GLU 54 - HA LEU 51 far 6 38 15 - 4.4-5.1 HG2 GLN 49 - HA LEU 51 far 0 72 0 - 8.6-8.8 HG3 GLU 54 - HA GLN 49 far 0 63 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 1350 from cnoeabs.peaks (2.45, 3.46, 57.68 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 49 + HA GLN 49 OK 100 100 100 100 3.4-3.6 4.0=100 HB2 ASP 53 - HA GLN 49 far 4 79 5 - 4.6-7.3 HB2 ASP 53 - HA LEU 51 far 0 50 0 - 5.4-6.8 HG3 GLN 49 - HA LEU 51 far 0 72 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 1352 from cnoeabs.peaks (7.83, 3.46, 57.68 ppm; 5.14 A): 1 out of 5 assignments used, quality = 1.00: * HE22 GLN 49 + HA GLN 49 OK 100 100 100 100 2.0-2.3 6574=100, 1.7/6567=95...(17) H ALA 47 - HA GLN 49 far 0 85 0 - 6.6-7.0 H THR 37 - HA LEU 51 far 0 66 0 - 6.8-7.1 HE22 GLN 49 - HA LEU 51 far 0 72 0 - 8.0-8.2 H ALA 47 - HA LEU 51 far 0 55 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 1353 from cnoeabs.peaks (8.05, 3.46, 57.68 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 50 + HA GLN 49 OK 100 100 100 100 3.6-3.6 3.6=100 H GLN 50 - HA LEU 51 far 0 72 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 1354 from cnoeabs.peaks (8.09, 3.46, 57.68 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 52 + HA GLN 49 OK 98 100 100 98 3.2-3.8 6646/1356=52, 6634=50...(11) H LYS 52 + HA LEU 51 OK 72 72 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1355 from cnoeabs.peaks (0.47, 3.46, 57.68 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.72: QD2 LEU 51 + HA LEU 51 OK 72 72 100 100 3.8-4.0 3.9=100 ! HB2 LYS 52 - HA GLN 49 poor 20 100 20 99 4.1-5.1 1.8/1356=78, 1504=56...(9) QD2 LEU 51 - HA GLN 49 far 0 100 0 - 5.7-6.1 HB2 LYS 52 - HA LEU 51 far 0 72 0 - 6.5-6.6 QG2 VAL 14 - HA LEU 51 far 0 50 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 1356 from cnoeabs.peaks (1.40, 3.46, 57.68 ppm; 3.98 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LYS 52 + HA GLN 49 OK 99 100 100 99 2.6-4.4 1516=68, 2.9/9421=52...(11) HB3 LYS 52 - HA LEU 51 far 0 72 0 - 5.6-6.0 QB ALA 47 - HA LEU 51 far 0 45 0 - 5.9-6.4 HG LEU 70 - HA LEU 51 far 0 45 0 - 6.3-6.9 QB ALA 47 - HA GLN 49 far 0 73 0 - 6.4-6.5 HG LEU 70 - HA GLN 49 far 0 73 0 - 7.2-7.6 HD3 LYS 58 - HA LEU 51 far 0 43 0 - 8.0-9.7 Violated in 3 structures by 0.05 A. Peak 1357 from cnoeabs.peaks (3.46, 2.06, 28.17 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 49 + HB2 GLN 49 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 51 - HB2 GLN 49 far 0 97 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 1358 from cnoeabs.peaks (2.06, 2.06, 28.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 49 + HB2 GLN 49 OK 100 100 - 100 Peak 1359 from cnoeabs.peaks (2.25, 2.06, 28.17 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 49 + HB2 GLN 49 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 54 - HB2 GLN 49 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 1360 from cnoeabs.peaks (2.30, 2.06, 28.17 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 49 + HB2 GLN 49 OK 100 100 100 100 2.5-2.6 2.9=100 HG3 GLU 54 - HB2 GLN 49 far 0 63 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 1361 from cnoeabs.peaks (2.45, 2.06, 28.17 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 49 + HB2 GLN 49 OK 100 100 100 100 2.3-2.4 2.9=100 HB2 ASP 53 - HB2 GLN 49 far 0 79 0 - 5.7-8.0 Violated in 0 structures by 0.00 A. Peak 1363 from cnoeabs.peaks (7.83, 2.06, 28.17 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 49 + HB2 GLN 49 OK 100 100 100 100 3.4-3.5 4.5=100 H ALA 47 + HB2 GLN 49 OK 61 85 100 71 4.6-5.0 4.6/9370=46, 4.6/9371=46 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (8.05, 2.06, 28.17 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HB2 GLN 49 OK 100 100 100 100 2.3-2.6 4.3=91, 6584/1.8=77...(7) Violated in 0 structures by 0.00 A. Peak 1365 from cnoeabs.peaks (3.46, 2.25, 28.17 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 49 + HB3 GLN 49 OK 100 100 100 100 2.3-2.4 3.0=100 HA LEU 51 - HB3 GLN 49 far 0 97 0 - 8.1-8.2 Violated in 0 structures by 0.00 A. Peak 1366 from cnoeabs.peaks (2.06, 2.25, 28.17 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 49 + HB3 GLN 49 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 50 - HB3 GLN 49 far 0 95 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 1367 from cnoeabs.peaks (2.25, 2.25, 28.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 49 + HB3 GLN 49 OK 100 100 - 100 Peak 1368 from cnoeabs.peaks (2.30, 2.25, 28.17 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 49 + HB3 GLN 49 OK 100 100 100 100 2.3-2.4 2.9=100 Violated in 0 structures by 0.00 A. Peak 1369 from cnoeabs.peaks (2.45, 2.25, 28.17 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 49 + HB3 GLN 49 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 ASP 53 - HB3 GLN 49 far 0 79 0 - 5.7-8.5 Violated in 0 structures by 0.00 A. Peak 1371 from cnoeabs.peaks (7.83, 2.25, 28.17 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 49 + HB3 GLN 49 OK 100 100 100 100 1.9-2.1 6576=100, 1.7/6569=91...(10) H ALA 47 - HB3 GLN 49 far 0 85 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 1372 from cnoeabs.peaks (8.05, 2.25, 28.17 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HB3 GLN 49 OK 100 100 100 100 3.8-3.9 4.3=100 Violated in 0 structures by 0.00 A. Peak 1373 from cnoeabs.peaks (3.46, 2.30, 33.25 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 49 + HG2 GLN 49 OK 100 100 100 100 3.7-3.9 4.0=100 HA LEU 51 - HG2 GLN 49 far 0 97 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (2.06, 2.30, 33.25 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 49 + HG2 GLN 49 OK 100 100 100 100 2.5-2.6 2.9=100 HG3 GLN 50 - HG2 GLN 49 far 0 95 0 - 4.3-5.2 Violated in 0 structures by 0.00 A. Peak 1375 from cnoeabs.peaks (2.25, 2.30, 33.25 ppm; 2.57 A): 1 out of 1 assignment used, quality = 0.96: * HB3 GLN 49 + HG2 GLN 49 OK 96 100 100 96 2.3-2.4 2.9=68, 1383/1.8=37...(15) Violated in 0 structures by 0.00 A. Peak 1376 from cnoeabs.peaks (2.30, 2.30, 33.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 49 + HG2 GLN 49 OK 100 100 - 100 Peak 1377 from cnoeabs.peaks (2.45, 2.30, 33.25 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 49 + HG2 GLN 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 53 - HG2 GLN 49 far 0 79 0 - 5.0-7.4 Violated in 0 structures by 0.00 A. Peak 1378 from cnoeabs.peaks (6.75, 2.30, 33.25 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 49 + HG2 GLN 49 OK 100 100 100 100 3.8-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 1379 from cnoeabs.peaks (7.83, 2.30, 33.25 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 49 + HG2 GLN 49 OK 100 100 100 100 2.9-3.0 6577=100, 6576/1375=62...(10) H ALA 47 - HG2 GLN 49 far 0 85 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 1380 from cnoeabs.peaks (8.05, 2.30, 33.25 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HG2 GLN 49 OK 100 100 100 100 4.0-4.3 6585=100, 6586/1.8=98...(6) Violated in 0 structures by 0.00 A. Peak 1381 from cnoeabs.peaks (3.46, 2.45, 33.25 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 49 + HG3 GLN 49 OK 100 100 100 100 3.4-3.6 4.0=94, 3.6/6586=53...(15) HA LEU 51 - HG3 GLN 49 far 0 97 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 1382 from cnoeabs.peaks (2.06, 2.45, 33.25 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 49 + HG3 GLN 49 OK 100 100 100 100 2.3-2.4 2.9=100 HG3 GLN 50 + HG3 GLN 49 OK 43 95 100 45 2.8-3.7 1430/6586=32...(4) HG3 GLU 110 - HG2 GLN 19 far 0 30 0 - 9.7-29.4 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (2.25, 2.45, 33.25 ppm; 2.84 A increased from 2.67 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 49 + HG3 GLN 49 OK 100 100 100 100 3.0-3.0 2.9=91, 1375/1.8=74...(15) HB2 GLN 19 + HG2 GLN 19 OK 47 48 100 99 2.4-2.8 3.0=84, 1.8/527=32...(20) HG2 GLN 89 - HG2 GLN 19 far 0 51 0 - 6.7-13.2 HG3 GLN 89 - HG2 GLN 19 far 0 47 0 - 7.1-13.1 HG3 GLU 54 - HG3 GLN 49 far 0 99 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (2.30, 2.45, 33.25 ppm; 2.65 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 49 + HG3 GLN 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 19 + HG2 GLN 19 OK 26 27 100 96 2.4-2.8 3.0=69, 1.8/527=29...(19) HG3 GLU 54 - HG3 GLN 49 far 0 63 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 1385 from cnoeabs.peaks (2.45, 2.45, 33.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 49 + HG3 GLN 49 OK 100 100 - 100 HG2 GLN 19 + HG2 GLN 19 OK 38 38 - 100 Peak 1386 from cnoeabs.peaks (6.75, 2.45, 33.25 ppm; 4.09 A increased from 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 49 + HG3 GLN 49 OK 100 100 100 100 4.1-4.1 3.5=100 HE21 GLN 89 - HG2 GLN 19 far 0 48 0 - 7.6-14.7 Violated in 0 structures by 0.00 A. Peak 1387 from cnoeabs.peaks (7.83, 2.45, 33.25 ppm; 3.64 A increased from 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 49 + HG3 GLN 49 OK 100 100 100 100 3.5-3.5 3.5=100 H ALA 47 - HG3 GLN 49 far 0 85 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 1388 from cnoeabs.peaks (8.05, 2.45, 33.25 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HG3 GLN 49 OK 100 100 100 100 2.5-3.1 6586=100, 6585/1.8=82...(8) Violated in 0 structures by 0.00 A. Peak 1389 from cnoeabs.peaks (8.05, 3.70, 58.64 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HA GLN 50 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1390 from cnoeabs.peaks (3.70, 3.70, 58.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 50 + HA GLN 50 OK 100 100 - 100 Peak 1391 from cnoeabs.peaks (1.63, 3.70, 58.64 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 50 + HA GLN 50 OK 100 100 100 100 2.5-2.6 3.0=100 HB2 LEU 55 - HA GLN 50 far 0 91 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 1392 from cnoeabs.peaks (1.03, 3.70, 58.64 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + HA GLN 50 OK 100 100 100 100 3.0-3.0 3.0=100 QG2 THR 37 - HA GLN 50 far 0 71 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 1393 from cnoeabs.peaks (2.39, 3.70, 58.64 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 50 + HA GLN 50 OK 100 100 100 100 3.4-3.6 1422=92, 1.8/1394=75...(12) HG2 GLU 56 - HA GLN 50 far 0 100 0 - 7.8-9.9 Violated in 2 structures by 0.00 A. Peak 1394 from cnoeabs.peaks (2.04, 3.70, 58.64 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 50 + HA GLN 50 OK 100 100 100 100 2.2-2.3 1431=95, 1.8/1393=70...(13) HB2 GLN 49 - HA GLN 50 far 0 95 0 - 4.3-4.7 Violated in 0 structures by 0.00 A. Peak 1396 from cnoeabs.peaks (7.35, 3.70, 58.64 ppm; 4.83 A increased from 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 50 + HA GLN 50 OK 100 100 100 100 3.8-4.8 6608=100, 3.5/1394=80...(6) Violated in 0 structures by 0.00 A. Peak 1397 from cnoeabs.peaks (7.70, 3.70, 58.64 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 51 + HA GLN 50 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1398 from cnoeabs.peaks (8.38, 3.70, 58.64 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 53 + HA GLN 50 OK 100 100 100 100 3.7-3.9 6657=100, 6672/1400=65...(6) H TRP 48 - HA GLN 50 far 0 79 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 1399 from cnoeabs.peaks (2.48, 3.70, 58.64 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.99: * HB2 ASP 53 + HA GLN 50 OK 97 100 100 97 3.2-4.4 1.8/1400=73, 1602=73...(5) HG3 GLN 49 + HA GLN 50 OK 74 79 100 93 3.0-3.3 6586/3.0=51, ~6585=36...(9) Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (2.56, 3.70, 58.64 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 53 + HA GLN 50 OK 98 100 100 98 2.9-3.4 1608=70, 1.8/1602=67...(5) HB2 ASP 46 - HA GLN 50 far 0 91 0 - 4.7-6.6 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (4.23, 1.63, 28.67 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 47 + HB2 GLN 50 OK 100 100 100 100 4.1-4.4 1341=96, 1342/1.8=65...(10) HA HIS 59 - HD2 LYS 58 far 0 88 0 - 7.0-7.5 HA ALA 24 - HB2 GLN 50 far 0 85 0 - 7.2-7.7 HA VAL 29 - HD3 LYS 31 far 0 100 0 - 8.1-9.8 HA VAL 29 - HD2 LYS 31 far 0 100 0 - 8.4-9.6 HA SER 38 - HB2 GLN 50 far 0 98 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 1402 from cnoeabs.peaks (8.05, 1.63, 28.67 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HB2 GLN 50 OK 100 100 100 100 3.5-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1403 from cnoeabs.peaks (3.70, 1.63, 28.67 ppm; 3.99 A): 3 out of 5 assignments used, quality = 1.00: * HA GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.5-2.6 3.0=100 HA LEU 55 + HD2 LYS 58 OK 95 95 100 100 2.0-3.3 9565/1.8=64, 9563/3.0=48...(14) HA GLU 63 + HG13 ILE 67 OK 63 64 100 99 3.1-3.3 1963=56, 9663/2.1=41...(16) HB3 SER 38 - HB2 GLN 50 far 0 100 0 - 8.3-8.7 HA LEU 55 - HB2 GLN 50 far 0 99 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1404 from cnoeabs.peaks (1.63, 1.63, 28.67 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 97 97 - 100 HG13 ILE 67 + HG13 ILE 67 OK 61 61 - 100 Peak 1405 from cnoeabs.peaks (1.03, 1.63, 28.67 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 50 + HB2 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 37 - HD2 LYS 58 far 0 66 0 - 4.6-5.4 QG2 THR 37 - HB2 GLN 50 far 0 71 0 - 5.9-6.4 QG2 THR 33 - HD2 LYS 31 far 0 98 0 - 8.7-10.2 QG2 THR 33 - HD3 LYS 31 far 0 98 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 1406 from cnoeabs.peaks (2.39, 1.63, 28.67 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.8-2.9 3.0=100 HG2 GLU 56 - HG13 ILE 67 far 0 81 0 - 7.0-9.2 HG2 GLU 56 - HD2 LYS 58 far 0 96 0 - 7.4-9.3 HB2 PHE 41 - HB2 GLN 50 far 0 100 0 - 8.1-9.8 HG2 GLU 56 - HB2 GLN 50 far 0 100 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1407 from cnoeabs.peaks (2.04, 1.63, 28.67 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 GLN 49 - HB2 GLN 50 far 0 95 0 - 5.8-6.1 HG2 GLN 27 - HD2 LYS 58 far 0 73 0 - 7.0-8.8 HB2 TYR 39 - HB2 GLN 50 far 0 99 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 1410 from cnoeabs.peaks (7.70, 1.63, 28.67 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + HB2 GLN 50 OK 100 100 100 100 3.5-3.9 4.6=100 H VAL 69 - HG13 ILE 67 far 0 78 0 - 6.5-6.6 H TYR 39 - HB2 GLN 50 far 0 96 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 1411 from cnoeabs.peaks (4.23, 1.03, 28.67 ppm; 5.16 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 47 + HB3 GLN 50 OK 100 100 100 100 2.6-2.8 1342=100, 1401/1.8=92...(10) HA ALA 24 - HB3 GLN 50 far 0 85 0 - 7.0-7.6 HA SER 38 - HB3 GLN 50 far 0 98 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 1412 from cnoeabs.peaks (8.05, 1.03, 28.67 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HB3 GLN 50 OK 100 100 100 100 2.3-2.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 1413 from cnoeabs.peaks (3.70, 1.03, 28.67 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 50 + HB3 GLN 50 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 SER 38 - HB3 GLN 50 far 0 100 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 1414 from cnoeabs.peaks (1.63, 1.03, 28.67 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 50 + HB3 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 44 - HB3 GLN 50 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1415 from cnoeabs.peaks (1.03, 1.03, 28.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 50 + HB3 GLN 50 OK 100 100 - 100 Peak 1416 from cnoeabs.peaks (2.39, 1.03, 28.67 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 50 + HB3 GLN 50 OK 100 100 100 100 2.2-2.2 3.0=100 HB2 PHE 41 - HB3 GLN 50 far 0 100 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 1417 from cnoeabs.peaks (2.04, 1.03, 28.67 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 50 + HB3 GLN 50 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 GLN 49 + HB3 GLN 50 OK 68 95 100 72 4.6-4.9 4.3/6591=61, ~1399=17, ~1382=13 HB2 TYR 39 - HB3 GLN 50 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (7.70, 1.03, 28.67 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 51 + HB3 GLN 50 OK 100 100 100 100 2.8-3.2 4.6=100 H TYR 39 - HB3 GLN 50 far 0 96 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (8.05, 2.39, 34.36 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.6-3.2 6592=100, 1430/1.8=73...(13) Violated in 0 structures by 0.00 A. Peak 1422 from cnoeabs.peaks (3.70, 2.39, 34.36 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 50 + HG2 GLN 50 OK 100 100 100 100 3.4-3.6 1393=100, 1394/1.8=79...(12) Violated in 0 structures by 0.00 A. Peak 1423 from cnoeabs.peaks (1.63, 2.39, 34.36 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 ARG 44 - HG2 GLN 50 far 0 100 0 - 7.1-8.3 HB3 PRO 43 - HG2 GLN 50 far 0 96 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1424 from cnoeabs.peaks (1.03, 2.39, 34.36 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.2-2.2 3.0=100 QG2 THR 37 - HG2 GLN 50 far 0 71 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 1425 from cnoeabs.peaks (2.39, 2.39, 34.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 50 + HG2 GLN 50 OK 100 100 - 100 Peak 1426 from cnoeabs.peaks (2.04, 2.39, 34.36 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 50 + HG2 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 49 - HG2 GLN 50 far 0 95 0 - 4.2-4.8 HB2 TYR 39 - HG2 GLN 50 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1427 from cnoeabs.peaks (6.37, 2.39, 34.36 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HG2 GLN 50 OK 100 100 100 100 3.6-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 1428 from cnoeabs.peaks (7.35, 2.39, 34.36 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.5-3.2 3.5=100 HZ3 TRP 42 - HG2 GLN 50 far 0 96 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1429 from cnoeabs.peaks (7.70, 2.39, 34.36 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 51 + HG2 GLN 50 OK 100 100 100 100 4.7-5.1 6617/6592=93...(7) H TYR 39 - HG2 GLN 50 far 0 96 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1430 from cnoeabs.peaks (8.05, 2.04, 34.36 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.6-3.1 6592/1.8=85, 3.0/1394=61...(13) Violated in 0 structures by 0.00 A. Peak 1431 from cnoeabs.peaks (3.70, 2.04, 34.36 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.2-2.3 1394=100, 1393/1.8=72...(13) Violated in 0 structures by 0.00 A. Peak 1432 from cnoeabs.peaks (1.63, 2.04, 34.36 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 ARG 44 - HG3 GLN 50 far 0 100 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1433 from cnoeabs.peaks (1.03, 2.04, 34.36 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.8-2.9 3.0=100 QG2 THR 37 - HG3 GLN 50 far 0 71 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 1434 from cnoeabs.peaks (2.39, 2.04, 34.36 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 50 + HG3 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 41 - HG3 GLN 50 far 0 100 0 - 9.0-10.5 HG2 GLU 56 - HG3 GLN 50 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 1435 from cnoeabs.peaks (2.04, 2.04, 34.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 50 + HG3 GLN 50 OK 100 100 - 100 Peak 1436 from cnoeabs.peaks (6.37, 2.04, 34.36 ppm; 4.23 A increased from 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HG3 GLN 50 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1437 from cnoeabs.peaks (7.35, 2.04, 34.36 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HZ3 TRP 42 - HG3 GLN 50 far 0 96 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1438 from cnoeabs.peaks (7.70, 2.04, 34.36 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 51 + HG3 GLN 50 OK 100 100 100 100 4.7-4.9 3.6/1394=88, 6619/3.0=88...(7) Violated in 0 structures by 0.00 A. Peak 1439 from cnoeabs.peaks (7.70, 3.47, 57.31 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + HA LEU 51 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 51 + HA GLN 49 OK 65 72 100 90 3.8-4.1 6617/3.6=53, 6616=46...(9) H TYR 39 - HA LEU 51 far 0 96 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 1440 from cnoeabs.peaks (3.47, 3.47, 57.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 51 + HA LEU 51 OK 100 100 - 100 HA GLN 49 + HA GLN 49 OK 66 66 - 100 Peak 1441 from cnoeabs.peaks (1.10, 3.47, 57.31 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 51 + HA LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 51 + HA LEU 51 OK 99 100 100 100 3.4-3.6 2.1/1483=76, 1467=55...(21) HB2 LEU 51 - HA GLN 49 far 0 72 0 - 4.8-6.5 HG LEU 51 - HA GLN 49 far 0 71 0 - 5.8-6.3 HG3 ARG 66 - HA LEU 51 far 0 81 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 1442 from cnoeabs.peaks (1.48, 3.47, 57.31 ppm; 4.07 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 51 + HA LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 51 - HA GLN 49 far 7 72 10 - 4.7-6.5 QB ALA 45 - HA GLN 49 far 0 65 0 - 8.1-8.5 QB ALA 45 - HA LEU 51 far 0 96 0 - 8.2-8.7 HB2 LEU 36 - HA LEU 51 far 0 84 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 1443 from cnoeabs.peaks (1.11, 3.47, 57.31 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 51 + HA LEU 51 OK 100 100 100 100 3.4-3.6 2.1/1483=76, 1467=55...(21) HB2 LEU 51 + HA LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 51 - HA GLN 49 far 0 71 0 - 4.8-6.5 HG LEU 51 - HA GLN 49 far 0 72 0 - 5.8-6.3 QD1 LEU 36 - HA LEU 51 far 0 59 0 - 7.9-8.2 HG3 ARG 66 - HA LEU 51 far 0 91 0 - 9.8-10.6 HG3 LYS 13 - HA LEU 51 far 0 61 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 1444 from cnoeabs.peaks (0.48, 3.47, 57.31 ppm; 4.08 A increased from 3.63 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 51 + HA LEU 51 OK 100 100 100 100 3.8-4.0 3.9=100 HB2 LYS 52 - HA GLN 49 poor 14 72 20 - 4.1-5.1 QD2 LEU 51 - HA GLN 49 far 0 72 0 - 5.7-6.1 HB2 LYS 52 - HA LEU 51 far 0 100 0 - 6.5-6.6 QG2 VAL 14 - HA LEU 51 far 0 85 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (0.86, 3.47, 57.31 ppm; 3.10 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 51 + HA LEU 51 OK 100 100 100 100 2.1-2.5 1483=100, 2.1/1467=38...(27) QG2 VAL 25 - HA LEU 51 far 0 99 0 - 4.7-5.0 QD1 LEU 12 - HA LEU 51 far 0 99 0 - 6.0-6.4 QD1 LEU 51 - HA GLN 49 far 0 72 0 - 6.5-6.7 QG1 VAL 69 - HA LEU 51 far 0 68 0 - 7.7-8.1 QG2 VAL 25 - HA GLN 49 far 0 69 0 - 8.3-8.6 QD1 LEU 12 - HA GLN 49 far 0 69 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 1446 from cnoeabs.peaks (8.09, 3.47, 57.31 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 52 + HA LEU 51 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 52 + HA GLN 49 OK 71 72 100 98 3.2-3.8 6634=48, 6646/1516=44...(11) Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (7.64, 3.47, 57.31 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 54 + HA LEU 51 OK 100 100 100 100 3.5-3.6 6677=100, 6686/1449=48...(13) H GLU 54 - HA GLN 49 far 0 72 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 1448 from cnoeabs.peaks (1.96, 3.47, 57.31 ppm; 4.49 A increased from 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 54 + HA LEU 51 OK 100 100 100 100 3.8-4.4 1.8/1449=80...(11) HB VAL 69 - HA LEU 51 far 0 96 0 - 7.5-7.9 HB3 LEU 70 - HA GLN 49 far 0 70 0 - 8.1-8.3 HB3 LEU 70 - HA LEU 51 far 0 99 0 - 8.7-9.1 HB2 GLU 54 - HA GLN 49 far 0 72 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 1449 from cnoeabs.peaks (2.14, 3.47, 57.31 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 54 + HA LEU 51 OK 100 100 100 100 2.5-2.9 1.8/1448=76...(11) HB3 GLU 54 - HA GLN 49 far 0 72 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 1450 from cnoeabs.peaks (7.70, 1.10, 40.21 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.2-3.0 4.0=100 H TYR 39 - HB2 LEU 51 far 0 96 0 - 8.6-10.5 H VAL 69 - HB2 LEU 51 far 0 98 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 1451 from cnoeabs.peaks (3.47, 1.10, 40.21 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 49 - HB2 LEU 51 far 0 97 0 - 4.8-6.5 HA ARG 66 - HB2 LEU 51 far 0 98 0 - 7.8-8.5 HB2 SER 38 - HB2 LEU 51 far 0 93 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 1452 from cnoeabs.peaks (1.10, 1.10, 40.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 51 + HB2 LEU 51 OK 100 100 - 100 Peak 1453 from cnoeabs.peaks (1.48, 1.10, 40.21 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 51 + HB2 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 45 - HB2 LEU 51 far 0 96 0 - 8.2-8.7 HB ILE 77 - HB2 LEU 51 far 0 88 0 - 8.7-9.8 HB2 LEU 36 - HB2 LEU 51 far 0 84 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 1454 from cnoeabs.peaks (1.11, 1.10, 40.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 51 + HB2 LEU 51 OK 100 100 - 100 Reference assignment not found: HG LEU 51 - HB2 LEU 51 Peak 1455 from cnoeabs.peaks (0.48, 1.10, 40.21 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.3-2.4 3.1=100 HB2 LYS 52 - HB2 LEU 51 far 0 100 0 - 5.8-7.4 QG2 VAL 14 - HB2 LEU 51 far 0 85 0 - 7.2-8.0 HG12 ILE 77 - HB2 LEU 51 far 0 88 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 1456 from cnoeabs.peaks (0.86, 1.10, 40.21 ppm; 3.63 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.3-3.2 3.1=100 QG2 VAL 25 + HB2 LEU 51 OK 75 99 90 84 3.7-4.7 1472/3.0=29, 1480/3.1=22...(13) QD1 LEU 12 - HB2 LEU 51 far 0 99 0 - 4.4-5.1 QG1 VAL 69 - HB2 LEU 51 far 0 68 0 - 7.1-7.8 QG2 VAL 102 - HB2 LEU 51 far 0 94 0 - 9.2-9.9 QG1 VAL 103 - HB2 LEU 51 far 0 97 0 - 9.8-12.3 QG2 VAL 103 - HB2 LEU 51 far 0 61 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (8.09, 1.10, 40.21 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HB2 LEU 51 OK 100 100 100 100 2.4-4.1 4.2=100 Violated in 0 structures by 0.00 A. Peak 1458 from cnoeabs.peaks (7.70, 1.48, 40.21 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.2-3.0 4.0=100 H TYR 39 - HB3 LEU 51 far 0 96 0 - 8.7-10.8 H VAL 69 - HB3 LEU 51 far 0 98 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 1459 from cnoeabs.peaks (3.47, 1.48, 40.21 ppm; 4.43 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 49 + HB3 LEU 51 OK 57 97 90 66 4.7-6.5 1354/6640=37...(4) HA ARG 66 - HB3 LEU 51 far 0 98 0 - 7.7-8.5 HB2 SER 38 - HB3 LEU 51 far 0 93 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 1460 from cnoeabs.peaks (1.10, 1.48, 40.21 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 51 + HB3 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 66 - HB3 LEU 51 far 0 81 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 1461 from cnoeabs.peaks (1.48, 1.48, 40.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + HB3 LEU 51 OK 100 100 - 100 Peak 1462 from cnoeabs.peaks (1.11, 1.48, 40.21 ppm; 3.25 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 51 + HB3 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 36 - HB3 LEU 51 far 0 59 0 - 9.2-10.0 HG3 ARG 66 - HB3 LEU 51 far 0 91 0 - 9.4-10.8 HG3 LYS 13 - HB3 LEU 51 far 0 61 0 - 9.5-11.3 HG2 LYS 13 - HB3 LEU 51 far 0 61 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 1463 from cnoeabs.peaks (0.48, 1.48, 40.21 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.2-2.4 3.1=100 HB2 LYS 52 - HB3 LEU 51 far 0 100 0 - 5.7-7.2 QG2 VAL 14 - HB3 LEU 51 far 0 85 0 - 7.2-8.2 HG12 ILE 77 - HB3 LEU 51 far 0 88 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 1464 from cnoeabs.peaks (0.86, 1.48, 40.21 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.5-3.2 3.1=100 QG2 VAL 25 - HB3 LEU 51 far 10 99 10 - 3.9-4.7 QD1 LEU 12 - HB3 LEU 51 far 0 99 0 - 4.5-5.3 QG1 VAL 69 - HB3 LEU 51 far 0 68 0 - 7.2-7.7 QG2 VAL 102 - HB3 LEU 51 far 0 94 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 1465 from cnoeabs.peaks (8.09, 1.48, 40.21 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HB3 LEU 51 OK 100 100 100 100 2.5-3.8 6640=100, 6643/3.1=61...(11) Violated in 0 structures by 0.00 A. Peak 1466 from cnoeabs.peaks (7.70, 1.11, 26.59 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 51 + HG LEU 51 OK 100 100 100 100 4.0-4.3 6626/3.0=84, 4.8=83...(15) H VAL 69 - HG LEU 51 far 0 98 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (3.47, 1.11, 26.59 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 51 + HG LEU 51 OK 100 100 100 100 3.4-3.6 1483/2.1=94, 4.3=93...(22) HA ARG 66 - HG LEU 51 far 0 98 0 - 5.3-5.9 HA GLN 49 - HG LEU 51 far 0 97 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (1.10, 1.11, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG LEU 51 + HG LEU 51 OK 100 100 - 100 Reference assignment not found: HB2 LEU 51 - HG LEU 51 Peak 1469 from cnoeabs.peaks (1.48, 1.11, 26.59 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 51 + HG LEU 51 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 36 - HG LEU 51 far 0 84 0 - 9.2-9.7 HB ILE 77 - HG LEU 51 far 0 88 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1470 from cnoeabs.peaks (1.11, 1.11, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 51 + HG LEU 51 OK 100 100 - 100 Peak 1471 from cnoeabs.peaks (0.48, 1.11, 26.59 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 51 + HG LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 52 - HG LEU 51 far 0 100 0 - 4.5-5.8 QG2 VAL 14 - HG LEU 51 far 0 85 0 - 8.2-8.7 HG12 ILE 77 - HG LEU 51 far 0 88 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1472 from cnoeabs.peaks (0.86, 1.11, 26.59 ppm; 3.32 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 51 + HG LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 25 + HG LEU 51 OK 87 99 100 88 3.4-3.7 1480/2.1=26, 1456/3.0=20...(15) QD1 LEU 12 - HG LEU 51 far 0 99 0 - 4.6-5.1 QG1 VAL 69 - HG LEU 51 far 0 68 0 - 5.7-6.1 QG2 VAL 102 - HG LEU 51 far 0 94 0 - 9.3-9.9 QG2 ILE 11 - HG LEU 51 far 0 100 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (8.09, 1.11, 26.59 ppm; 5.76 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HG LEU 51 OK 100 100 100 100 2.5-3.4 6643/2.1=100...(11) Violated in 0 structures by 0.00 A. Peak 1474 from cnoeabs.peaks (7.70, 0.48, 25.53 ppm; 4.29 A increased from 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + QD2 LEU 51 OK 100 100 100 100 4.1-4.2 6629=98, 6626/3.1=77...(17) H VAL 69 - QD2 LEU 51 far 0 98 0 - 5.3-5.8 H TYR 39 - QD2 LEU 51 far 0 96 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 1475 from cnoeabs.peaks (3.47, 0.48, 25.53 ppm; 4.01 A increased from 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 51 + QD2 LEU 51 OK 100 100 100 100 3.8-4.0 3.9=100 HA ARG 66 - QD2 LEU 51 far 0 98 0 - 4.7-5.6 HA GLN 49 - QD2 LEU 51 far 0 97 0 - 5.7-6.1 HB2 SER 38 - QD2 LEU 51 far 0 93 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 1476 from cnoeabs.peaks (1.10, 0.48, 25.53 ppm; 2.78 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 * HB2 LEU 51 + QD2 LEU 51 OK 99 100 100 99 2.3-2.4 3.1=70, 1.8/1477=62...(20) HG3 ARG 66 - QD2 LEU 51 far 0 81 0 - 7.1-7.7 HB VAL 14 - QD2 LEU 51 far 0 93 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 1477 from cnoeabs.peaks (1.48, 0.48, 25.53 ppm; 2.88 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LEU 51 + QD2 LEU 51 OK 99 100 100 99 2.2-2.4 3.1=78, 1.8/1476=34...(18) HB ILE 77 - QD2 LEU 51 far 0 88 0 - 6.9-7.4 HB2 LEU 36 - QD2 LEU 51 far 0 84 0 - 7.8-8.2 HD3 LYS 13 - QD2 LEU 51 far 0 100 0 - 8.3-9.5 QB ALA 45 - QD2 LEU 51 far 0 96 0 - 8.5-9.0 HD2 LYS 13 - QD2 LEU 51 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 1478 from cnoeabs.peaks (1.11, 0.48, 25.53 ppm; 2.78 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 51 + QD2 LEU 51 OK 99 100 100 99 2.3-2.4 3.1=70, 1.8/1477=62...(20) HG2 LYS 13 - QD2 LEU 51 far 0 61 0 - 6.7-8.3 HG3 ARG 66 - QD2 LEU 51 far 0 91 0 - 7.1-7.7 HG3 LYS 13 - QD2 LEU 51 far 0 61 0 - 7.2-8.4 QD1 LEU 36 - QD2 LEU 51 far 0 59 0 - 7.6-8.0 HB VAL 14 - QD2 LEU 51 far 0 98 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 1479 from cnoeabs.peaks (0.48, 0.48, 25.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + QD2 LEU 51 OK 100 100 - 100 Peak 1480 from cnoeabs.peaks (0.86, 0.48, 25.53 ppm; 2.40 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 25 + QD2 LEU 51 OK 72 99 100 73 1.8-1.9 1487=27, 1472/2.1=15...(15) QD1 LEU 12 + QD2 LEU 51 OK 71 99 100 72 2.2-2.6 1487=29, 229/8495=16...(14) QG1 VAL 69 - QD2 LEU 51 far 0 68 0 - 4.2-4.6 QG2 VAL 102 - QD2 LEU 51 far 0 94 0 - 6.2-6.6 QG2 ILE 11 - QD2 LEU 51 far 0 100 0 - 7.0-7.2 QG1 VAL 103 - QD2 LEU 51 far 0 97 0 - 7.2-8.8 QG2 VAL 103 - QD2 LEU 51 far 0 61 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (8.09, 0.48, 25.53 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + QD2 LEU 51 OK 100 100 100 100 3.7-4.3 6643/2.1=78...(10) Violated in 1 structures by 0.00 A. Peak 1482 from cnoeabs.peaks (7.70, 0.86, 23.70 ppm; 4.34 A increased from 3.86 A): 2 out of 11 assignments used, quality = 1.00: * H LEU 51 + QD1 LEU 51 OK 100 100 100 100 4.2-4.3 2.9/1483=86, 4.6=85...(15) H VAL 69 + QG2 VAL 25 OK 49 78 100 63 4.5-4.7 3.0/10921=27...(5) H VAL 69 - QD1 LEU 12 far 0 90 0 - 5.6-5.9 H VAL 69 - QD1 LEU 51 far 0 98 0 - 6.0-6.2 H LEU 51 - QG2 VAL 25 far 0 83 0 - 6.1-6.3 H LEU 51 - QD1 LEU 12 far 0 94 0 - 6.5-6.9 H TYR 39 - QD1 LEU 51 far 0 96 0 - 7.8-8.1 H TYR 39 - QG2 VAL 25 far 0 75 0 - 8.6-9.0 HE3 TRP 16 - QD1 LEU 12 far 0 88 0 - 8.7-9.2 H TYR 39 - QD1 LEU 12 far 0 87 0 - 8.8-9.0 QD PHE 79 - QD1 LEU 12 far 0 92 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1483 from cnoeabs.peaks (3.47, 0.86, 23.70 ppm; 3.02 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.1-2.5 1445=92, 1467/2.1=36...(27) HA ARG 66 - QG2 VAL 25 far 0 78 0 - 4.1-4.4 HA ARG 66 - QD1 LEU 51 far 0 98 0 - 4.4-4.7 HA LEU 51 - QG2 VAL 25 far 0 83 0 - 4.7-5.0 HA LEU 51 - QD1 LEU 12 far 0 94 0 - 6.0-6.4 HA GLN 49 - QD1 LEU 51 far 0 97 0 - 6.5-6.7 HA ARG 66 - QD1 LEU 12 far 0 90 0 - 6.6-7.1 HB2 SER 38 - QD1 LEU 51 far 0 93 0 - 7.3-7.5 HA GLN 49 - QG2 VAL 25 far 0 77 0 - 8.3-8.6 HA GLN 49 - QD1 LEU 12 far 0 88 0 - 8.4-8.8 HB2 SER 38 - QG2 VAL 25 far 0 72 0 - 8.8-9.1 HB3 TRP 80 - QD1 LEU 12 far 0 93 0 - 8.9-9.3 HB2 SER 38 - QD1 LEU 12 far 0 83 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 1484 from cnoeabs.peaks (1.10, 0.86, 23.70 ppm; 2.70 A): 2 out of 14 assignments used, quality = 1.00: HG LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 * HB2 LEU 51 + QD1 LEU 51 OK 96 100 100 96 2.3-3.2 3.1=64, 3.0/1483=37...(15) HG LEU 51 - QG2 VAL 25 far 0 81 0 - 3.4-3.7 HB2 LEU 51 - QG2 VAL 25 far 0 83 0 - 3.7-4.7 HB2 LEU 51 - QD1 LEU 12 far 0 94 0 - 4.4-5.1 HG LEU 51 - QD1 LEU 12 far 0 93 0 - 4.6-5.1 HB VAL 14 - QD1 LEU 12 far 0 83 0 - 5.2-5.8 HG3 ARG 66 - QD1 LEU 51 far 0 81 0 - 6.2-7.2 HG3 ARG 66 - QG2 VAL 25 far 0 60 0 - 6.6-7.5 HB VAL 14 - QG2 VAL 25 far 0 72 0 - 7.8-8.2 QG2 THR 8 - QG2 VAL 25 far 0 71 0 - 8.1-8.5 QG2 THR 8 - QD1 LEU 51 far 0 92 0 - 8.8-9.1 HG3 ARG 66 - QD1 LEU 12 far 0 71 0 - 9.0-9.6 HB VAL 14 - QD1 LEU 51 far 0 93 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 1485 from cnoeabs.peaks (1.48, 0.86, 23.70 ppm; 3.19 A increased from 2.84 A): 1 out of 19 assignments used, quality = 1.00: * HB3 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.5-3.2 3.1=100 HB3 LEU 51 - QG2 VAL 25 far 0 83 0 - 3.9-4.7 HB3 LEU 51 - QD1 LEU 12 far 0 94 0 - 4.5-5.3 HB2 LEU 36 - QG2 VAL 25 far 0 63 0 - 5.8-6.1 HB2 LEU 36 - QD1 LEU 51 far 0 84 0 - 5.9-6.2 HB ILE 77 - QD1 LEU 12 far 0 78 0 - 6.3-6.6 HD3 LYS 13 - QG2 VAL 25 far 0 82 0 - 6.6-7.5 HD2 LYS 13 - QG2 VAL 25 far 0 82 0 - 6.7-7.8 HD2 LYS 13 - QD1 LEU 12 far 0 93 0 - 6.7-7.8 HD3 LYS 13 - QD1 LEU 12 far 0 93 0 - 6.9-7.8 HD3 LYS 13 - QD1 LEU 51 far 0 100 0 - 7.8-9.2 HB2 LEU 36 - QD1 LEU 12 far 0 74 0 - 8.4-8.8 HG3 LYS 58 - QD1 LEU 51 far 0 94 0 - 8.5-9.0 HD2 LYS 13 - QD1 LEU 51 far 0 100 0 - 8.6-9.5 QB ALA 45 - QD1 LEU 51 far 0 96 0 - 8.7-9.1 HB ILE 77 - QG2 VAL 25 far 0 67 0 - 9.0-9.5 HB ILE 77 - QD1 LEU 51 far 0 88 0 - 9.4-9.8 QB ALA 45 - QD1 LEU 12 far 0 87 0 - 9.7-10.1 HG3 LYS 58 - QG2 VAL 25 far 0 73 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 1486 from cnoeabs.peaks (1.11, 0.86, 23.70 ppm; 2.70 A): 2 out of 23 assignments used, quality = 1.00: * HG LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 51 + QD1 LEU 51 OK 96 100 100 96 2.3-3.2 3.1=64, 3.0/1483=37...(15) HG LEU 51 - QG2 VAL 25 far 0 83 0 - 3.4-3.7 HB2 LEU 51 - QG2 VAL 25 far 0 81 0 - 3.7-4.7 HB2 LEU 51 - QD1 LEU 12 far 0 93 0 - 4.4-5.1 HG LEU 51 - QD1 LEU 12 far 0 94 0 - 4.6-5.1 HG2 LYS 13 - QG2 VAL 25 far 0 44 0 - 4.8-6.4 HG3 LYS 13 - QG2 VAL 25 far 0 44 0 - 5.2-6.6 HB VAL 14 - QD1 LEU 12 far 0 90 0 - 5.2-5.8 HG2 LYS 13 - QD1 LEU 12 far 0 53 0 - 5.3-6.5 HG3 LYS 13 - QD1 LEU 12 far 0 53 0 - 5.6-6.3 QD1 LEU 36 - QD1 LEU 51 far 0 59 0 - 5.7-6.0 HG3 ARG 66 - QD1 LEU 51 far 0 91 0 - 6.2-7.2 QD1 LEU 36 - QG2 VAL 25 far 0 43 0 - 6.3-6.5 HG2 LYS 13 - QD1 LEU 51 far 0 61 0 - 6.6-8.4 HG3 ARG 66 - QG2 VAL 25 far 0 70 0 - 6.6-7.5 HG3 LYS 13 - QD1 LEU 51 far 0 61 0 - 6.8-8.4 HB VAL 14 - QG2 VAL 25 far 0 78 0 - 7.8-8.2 QG2 THR 8 - QG2 VAL 25 far 0 61 0 - 8.1-8.5 QD1 LEU 36 - QD1 LEU 12 far 0 51 0 - 8.6-8.9 QG2 THR 8 - QD1 LEU 51 far 0 82 0 - 8.8-9.1 HG3 ARG 66 - QD1 LEU 12 far 0 81 0 - 9.0-9.6 HB VAL 14 - QD1 LEU 51 far 0 98 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 1487 from cnoeabs.peaks (0.48, 0.86, 23.70 ppm; 2.40 A): 3 out of 13 assignments used, quality = 1.00: * QD2 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 51 + QD1 LEU 12 OK 66 94 100 71 2.2-2.6 1480=29, 8144/188=15...(14) QD2 LEU 51 + QG2 VAL 25 OK 61 83 100 74 1.8-1.9 1480=30, 2.1/1472=15...(15) QG2 VAL 14 - QD1 LEU 12 far 8 75 10 - 2.9-3.5 HB2 LYS 52 - QD1 LEU 51 far 0 100 0 - 5.2-6.1 QG2 VAL 14 - QG2 VAL 25 far 0 64 0 - 5.5-5.8 HG12 ILE 77 - QD1 LEU 12 far 0 78 0 - 6.0-6.3 QG2 VAL 14 - QD1 LEU 51 far 0 85 0 - 6.6-7.0 HB2 LYS 52 - QG2 VAL 25 far 0 82 0 - 6.7-8.2 HB2 LYS 52 - QD1 LEU 12 far 0 93 0 - 8.0-9.6 HG12 ILE 77 - QG2 VAL 25 far 0 67 0 - 8.7-9.2 QD2 LEU 15 - QD1 LEU 12 far 0 57 0 - 8.7-9.1 HG12 ILE 77 - QD1 LEU 51 far 0 88 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (0.86, 0.86, 23.70 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 51 + QD1 LEU 51 OK 100 100 - 100 QD1 LEU 12 + QD1 LEU 12 OK 91 91 - 100 QG2 VAL 25 + QG2 VAL 25 OK 80 80 - 100 Peak 1489 from cnoeabs.peaks (8.09, 0.86, 23.70 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 52 + QD1 LEU 51 OK 100 100 100 100 3.6-4.1 6643=100, 1481/2.1=89...(11) H LYS 52 - QG2 VAL 25 far 4 83 5 - 5.5-6.2 H LYS 52 - QD1 LEU 12 far 0 94 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 1490 from cnoeabs.peaks (8.09, 3.15, 60.30 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HA LYS 52 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (3.15, 3.15, 60.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 52 + HA LYS 52 OK 100 100 - 100 Peak 1492 from cnoeabs.peaks (0.47, 3.15, 60.30 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 52 + HA LYS 52 OK 100 100 100 100 2.3-2.7 3.0=100 QD2 LEU 51 - HA LYS 52 far 0 100 0 - 4.5-4.9 Violated in 0 structures by 0.00 A. Peak 1493 from cnoeabs.peaks (1.40, 3.15, 60.30 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 52 + HA LYS 52 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 70 + HA LYS 52 OK 73 73 100 100 3.6-4.3 2.1/8464=86, 2.1/9412=55...(17) HD3 LYS 58 - HA LYS 52 far 0 70 0 - 7.4-9.1 QB ALA 47 - HA LYS 52 far 0 73 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 1494 from cnoeabs.peaks (0.79, 3.15, 60.30 ppm; 3.75 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 52 + HA LYS 52 OK 100 100 100 100 2.4-3.7 3.8=100 QG2 VAL 69 - HA LYS 52 far 5 97 5 - 4.3-5.1 HB3 LEU 55 - HA LYS 52 far 0 87 0 - 5.0-5.2 QD1 ILE 67 - HA LYS 52 far 0 99 0 - 5.6-6.0 QD1 ILE 23 - HA LYS 52 far 0 59 0 - 6.5-7.0 QD2 LEU 36 - HA LYS 52 far 0 100 0 - 6.5-7.2 QG2 ILE 23 - HA LYS 52 far 0 99 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 1495 from cnoeabs.peaks (0.94, 3.15, 60.30 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 52 + HA LYS 52 OK 100 100 100 100 2.7-3.9 3.8=100 QG1 VAL 25 - HA LYS 52 far 0 68 0 - 5.7-6.6 QG2 ILE 67 - HA LYS 52 far 0 57 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 1497 from cnoeabs.peaks (1.16, 3.15, 60.30 ppm; 5.22 A increased from 4.91 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 52 + HA LYS 52 OK 100 100 100 100 4.4-5.0 5.1=100 HG3 ARG 66 - HA LYS 52 far 0 84 0 - 5.9-6.6 QD1 LEU 36 - HA LYS 52 far 0 99 0 - 8.3-8.9 HB2 LEU 12 - HA LYS 52 far 0 88 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1500 from cnoeabs.peaks (8.38, 3.15, 60.30 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HA LYS 52 OK 100 100 100 100 3.5-3.6 3.6=100 H TRP 48 - HA LYS 52 far 0 79 0 - 8.7-9.1 H ALA 73 - HA LYS 52 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1501 from cnoeabs.peaks (8.44, 3.15, 60.30 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 55 + HA LYS 52 OK 96 100 100 96 3.4-3.8 6693=75, 6715/6711=50...(7) H TRP 48 - HA LYS 52 far 0 79 0 - 8.7-9.1 H THR 74 - HA LYS 52 far 0 75 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1502 from cnoeabs.peaks (1.60, 3.15, 60.30 ppm; 5.50 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 55 + HA LYS 52 OK 99 100 100 99 3.2-3.6 6703/1501=81...(6) HB2 LEU 70 + HA LYS 52 OK 95 100 95 100 5.6-6.3 3.1/8464=97, 3.1/9412=61...(14) HB2 ARG 66 + HA LYS 52 OK 69 96 100 72 3.6-4.4 2041/6711=27...(6) HD2 LYS 58 - HA LYS 52 far 0 95 0 - 7.7-9.2 HB2 GLN 50 - HA LYS 52 far 0 91 0 - 7.9-8.2 HG LEU 36 - HA LYS 52 far 0 61 0 - 7.9-8.7 HG13 ILE 67 - HA LYS 52 far 0 100 0 - 8.3-9.1 QB ALA 62 - HA LYS 52 far 0 81 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1503 from cnoeabs.peaks (0.77, 3.15, 60.30 ppm; 3.75 A): 1 out of 7 assignments used, quality = 0.87: HG2 LYS 52 + HA LYS 52 OK 87 87 100 100 2.4-3.7 3.8=100 QG2 VAL 69 - HA LYS 52 far 5 99 5 - 4.3-5.1 ! HB3 LEU 55 - HA LYS 52 far 0 100 0 - 5.0-5.2 QD1 ILE 67 - HA LYS 52 far 0 73 0 - 5.6-6.0 QD1 ILE 23 - HA LYS 52 far 0 96 0 - 6.5-7.0 QD2 LEU 36 - HA LYS 52 far 0 91 0 - 6.5-7.2 QG2 ILE 23 - HA LYS 52 far 0 70 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (3.46, 0.47, 31.50 ppm; 4.94 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 49 + HB2 LYS 52 OK 100 100 100 100 4.1-5.1 1356/1.8=97, 9421/2.9=76...(9) HA ARG 66 - HB2 LYS 52 far 0 100 0 - 6.0-8.3 HA LEU 51 - HB2 LYS 52 far 0 97 0 - 6.5-6.6 Violated in 3 structures by 0.01 A. Peak 1505 from cnoeabs.peaks (8.09, 0.47, 31.50 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HB2 LYS 52 OK 100 100 100 100 3.5-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1506 from cnoeabs.peaks (3.15, 0.47, 31.50 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 52 + HB2 LYS 52 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 ASP 46 - HB2 LYS 52 far 0 97 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (0.47, 0.47, 31.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 52 + HB2 LYS 52 OK 100 100 - 100 Peak 1508 from cnoeabs.peaks (1.40, 0.47, 31.50 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 52 + HB2 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 70 + HB2 LYS 52 OK 22 73 30 100 4.0-6.5 2.1/10430=67...(26) QB ALA 47 - HB2 LYS 52 far 0 73 0 - 9.0-9.5 HD3 LYS 58 - HB2 LYS 52 far 0 70 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 1509 from cnoeabs.peaks (0.79, 0.47, 31.50 ppm; 4.93 A): 3 out of 7 assignments used, quality = 1.00: * HG2 LYS 52 + HB2 LYS 52 OK 100 100 100 100 2.9-3.0 2.9=100 QD1 ILE 67 + HB2 LYS 52 OK 56 99 65 87 4.6-6.6 8429/10430=71...(3) QG2 VAL 69 + HB2 LYS 52 OK 21 97 30 72 5.3-7.2 8577/8332=60...(4) HB3 LEU 55 - HB2 LYS 52 far 0 87 0 - 6.6-7.4 QD1 ILE 23 - HB2 LYS 52 far 0 59 0 - 7.2-8.0 QD2 LEU 36 - HB2 LYS 52 far 0 100 0 - 8.3-9.3 QG2 ILE 23 - HB2 LYS 52 far 0 99 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 1510 from cnoeabs.peaks (0.94, 0.47, 31.50 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 52 + HB2 LYS 52 OK 100 100 100 100 2.2-2.4 2.9=100 QG2 ILE 67 - HB2 LYS 52 far 0 57 0 - 7.1-9.3 QG1 VAL 25 - HB2 LYS 52 far 0 68 0 - 7.5-8.8 QG2 THR 74 - HB2 LYS 52 far 0 90 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1511 from cnoeabs.peaks (1.24, 0.47, 31.50 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 52 + HB2 LYS 52 OK 100 100 100 100 2.6-3.9 3.4=100 HG12 ILE 67 - HB2 LYS 52 far 0 100 0 - 8.0-10.3 HB ILE 61 - HB2 LYS 52 far 0 79 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 1512 from cnoeabs.peaks (1.16, 0.47, 31.50 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 52 + HB2 LYS 52 OK 100 100 100 100 2.6-4.0 3.4=100 HG3 ARG 66 - HB2 LYS 52 far 0 84 0 - 5.5-8.4 Violated in 0 structures by 0.00 A. Peak 1515 from cnoeabs.peaks (8.38, 0.47, 31.50 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HB2 LYS 52 OK 100 100 100 100 2.8-4.1 4.7=100 H TRP 48 - HB2 LYS 52 far 0 79 0 - 8.8-9.5 H ALA 73 - HB2 LYS 52 far 0 100 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 1516 from cnoeabs.peaks (3.46, 1.40, 31.50 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 49 + HB3 LYS 52 OK 100 100 100 100 2.6-4.4 1356=100, 1504/1.8=68...(12) HA LEU 51 - HB3 LYS 52 far 0 97 0 - 5.6-6.0 HA ARG 66 - HB3 LYS 52 far 0 100 0 - 5.9-8.7 Violated in 0 structures by 0.00 A. Peak 1517 from cnoeabs.peaks (8.09, 1.40, 31.50 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HB3 LYS 52 OK 100 100 100 100 2.1-2.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1518 from cnoeabs.peaks (3.15, 1.40, 31.50 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 52 + HB3 LYS 52 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 46 - HB3 LYS 52 far 0 97 0 - 7.0-9.1 Violated in 0 structures by 0.00 A. Peak 1519 from cnoeabs.peaks (0.47, 1.40, 31.50 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 52 + HB3 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 QD2 LEU 51 + HB3 LYS 52 OK 26 100 35 74 4.5-6.1 1481/6646=51...(5) Violated in 0 structures by 0.00 A. Peak 1520 from cnoeabs.peaks (1.40, 1.40, 31.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 52 + HB3 LYS 52 OK 100 100 - 100 Peak 1521 from cnoeabs.peaks (0.79, 1.40, 31.50 ppm; 5.63 A): 3 out of 7 assignments used, quality = 1.00: * HG2 LYS 52 + HB3 LYS 52 OK 100 100 100 100 2.5-2.7 2.9=100 QD1 ILE 67 + HB3 LYS 52 OK 42 99 45 95 5.1-7.2 8429/10431=84...(3) QG2 VAL 69 + HB3 LYS 52 OK 35 97 45 79 5.0-7.2 8577/9411=67...(4) QD1 ILE 23 - HB3 LYS 52 poor 18 59 30 - 5.8-7.3 HB3 LEU 55 - HB3 LYS 52 far 0 87 0 - 7.1-8.1 QD2 LEU 36 - HB3 LYS 52 far 0 100 0 - 8.4-9.5 QG2 ILE 23 - HB3 LYS 52 far 0 99 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 1522 from cnoeabs.peaks (0.94, 1.40, 31.50 ppm; 4.82 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 52 + HB3 LYS 52 OK 100 100 100 100 2.9-3.0 2.9=100 QG2 ILE 67 - HB3 LYS 52 far 0 57 0 - 7.1-9.5 QG1 VAL 25 - HB3 LYS 52 far 0 68 0 - 7.3-8.8 QG2 THR 74 - HB3 LYS 52 far 0 90 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 1523 from cnoeabs.peaks (1.24, 1.40, 31.50 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 52 + HB3 LYS 52 OK 100 100 100 100 2.1-3.6 3.4=100 HG12 ILE 67 - HB3 LYS 52 far 0 100 0 - 8.5-10.9 HG13 ILE 23 - HB3 LYS 52 far 0 96 0 - 8.9-10.4 HB ILE 61 - HB3 LYS 52 far 0 79 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1524 from cnoeabs.peaks (1.16, 1.40, 31.50 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 52 + HB3 LYS 52 OK 100 100 100 100 2.1-3.5 3.4=100 HG3 ARG 66 - HB3 LYS 52 far 0 84 0 - 6.2-9.3 HB2 LEU 12 - HB3 LYS 52 far 0 88 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 1527 from cnoeabs.peaks (8.38, 1.40, 31.50 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HB3 LYS 52 OK 100 100 100 100 2.2-4.0 4.7=83, 6662/1.8=81...(12) H TRP 48 - HB3 LYS 52 far 0 79 0 - 7.1-8.4 H ALA 73 - HB3 LYS 52 far 0 100 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (8.09, 0.79, 23.91 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HG2 LYS 52 OK 100 100 100 100 1.8-3.1 4.9=100 Violated in 0 structures by 0.00 A. Peak 1529 from cnoeabs.peaks (3.15, 0.79, 23.91 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 52 + HG2 LYS 52 OK 100 100 100 100 2.4-3.7 3.8=100 HB3 ASP 46 - HG2 LYS 52 far 0 97 0 - 6.5-9.0 Violated in 0 structures by 0.00 A. Peak 1530 from cnoeabs.peaks (0.47, 0.79, 23.91 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 52 + HG2 LYS 52 OK 100 100 100 100 2.9-3.0 2.9=100 QD2 LEU 51 - HG2 LYS 52 far 5 100 5 - 3.9-6.1 Violated in 0 structures by 0.00 A. Peak 1531 from cnoeabs.peaks (1.40, 0.79, 23.91 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 52 + HG2 LYS 52 OK 100 100 100 100 2.5-2.7 2.9=100 HG LEU 70 + HG2 LYS 52 OK 40 73 55 100 3.7-6.3 2.1/10432=69...(19) QB ALA 47 - HG2 LYS 52 far 0 73 0 - 7.0-8.3 HD3 LYS 58 - HG2 LYS 52 far 0 70 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 1532 from cnoeabs.peaks (0.79, 0.79, 23.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 52 + HG2 LYS 52 OK 100 100 - 100 Peak 1533 from cnoeabs.peaks (0.94, 0.79, 23.91 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 52 + HG2 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 67 - HG2 LYS 52 far 0 57 0 - 7.1-9.5 QG1 VAL 25 - HG2 LYS 52 far 0 68 0 - 7.4-8.7 QG2 THR 74 - HG2 LYS 52 far 0 90 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 1534 from cnoeabs.peaks (1.24, 0.79, 23.91 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 52 + HG2 LYS 52 OK 100 100 100 100 2.2-3.0 2.9=100 HG13 ILE 23 - HG2 LYS 52 far 0 96 0 - 8.4-9.9 HG12 ILE 67 - HG2 LYS 52 far 0 100 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 1535 from cnoeabs.peaks (1.16, 0.79, 23.91 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 52 + HG2 LYS 52 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 ARG 66 - HG2 LYS 52 far 0 84 0 - 6.4-9.5 HB2 LEU 12 - HG2 LYS 52 far 0 88 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 1536 from cnoeabs.peaks (2.94, 0.79, 23.91 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 52 + HG2 LYS 52 OK 100 100 100 100 3.6-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 1537 from cnoeabs.peaks (2.80, 0.79, 23.91 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 52 + HG2 LYS 52 OK 100 100 100 100 2.8-3.9 3.8=100 HD2 ARG 66 - HG2 LYS 52 far 10 99 10 - 4.9-8.3 HB2 TRP 48 - HG2 LYS 52 far 0 92 0 - 5.3-7.6 Violated in 0 structures by 0.00 A. Peak 1538 from cnoeabs.peaks (8.38, 0.79, 23.91 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HG2 LYS 52 OK 100 100 100 100 1.9-4.8 4.8=100 H TRP 48 - HG2 LYS 52 far 0 79 0 - 6.4-7.9 H ALA 73 - HG2 LYS 52 far 0 100 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (8.09, 0.94, 23.91 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HG3 LYS 52 OK 100 100 100 100 3.3-4.2 4.9=100 Violated in 0 structures by 0.00 A. Peak 1540 from cnoeabs.peaks (3.15, 0.94, 23.91 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 52 + HG3 LYS 52 OK 100 100 100 100 2.7-3.9 3.8=100 HB3 ASP 46 - HG3 LYS 52 far 0 97 0 - 7.3-9.9 Violated in 0 structures by 0.00 A. Peak 1541 from cnoeabs.peaks (0.47, 0.94, 23.91 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 52 + HG3 LYS 52 OK 100 100 100 100 2.2-2.4 2.9=100 QD2 LEU 51 - HG3 LYS 52 far 0 100 0 - 4.7-6.9 Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (1.40, 0.94, 23.91 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 52 + HG3 LYS 52 OK 100 100 100 100 2.9-3.0 2.9=100 HG LEU 70 + HG3 LYS 52 OK 33 73 45 100 3.8-6.5 2.1/10433=77...(21) QB ALA 47 - HG3 LYS 52 far 0 73 0 - 8.4-9.7 HD3 LYS 58 - HG3 LYS 52 far 0 70 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (0.79, 0.94, 23.91 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 52 + HG3 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 ILE 67 - HG3 LYS 52 far 0 99 0 - 4.6-7.1 QG2 VAL 69 - HG3 LYS 52 far 0 97 0 - 5.2-7.4 QD1 ILE 23 - HG3 LYS 52 far 0 59 0 - 6.5-8.1 HB3 LEU 55 - HG3 LYS 52 far 0 87 0 - 6.9-8.5 QD2 LEU 36 - HG3 LYS 52 far 0 100 0 - 8.9-9.6 QG2 ILE 23 - HG3 LYS 52 far 0 99 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 1544 from cnoeabs.peaks (0.94, 0.94, 23.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 52 + HG3 LYS 52 OK 100 100 - 100 Peak 1545 from cnoeabs.peaks (1.24, 0.94, 23.91 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 52 + HG3 LYS 52 OK 100 100 100 100 2.5-3.0 2.9=100 HG12 ILE 67 - HG3 LYS 52 far 0 100 0 - 7.9-10.8 HB ILE 61 - HG3 LYS 52 far 0 79 0 - 9.2-10.8 HG13 ILE 23 - HG3 LYS 52 far 0 96 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 1546 from cnoeabs.peaks (1.16, 0.94, 23.91 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 52 + HG3 LYS 52 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 ARG 66 - HG3 LYS 52 far 0 84 0 - 5.8-9.3 HB2 LEU 12 - HG3 LYS 52 far 0 88 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1547 from cnoeabs.peaks (2.94, 0.94, 23.91 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 52 + HG3 LYS 52 OK 100 100 100 100 2.5-3.6 3.8=100 HB2 ASN 71 - HG3 LYS 52 far 0 100 0 - 9.2-13.4 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (2.80, 0.94, 23.91 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 52 + HG3 LYS 52 OK 100 100 100 100 2.0-3.0 3.8=100 HD2 ARG 66 - HG3 LYS 52 far 15 99 15 - 3.8-7.6 HB2 TRP 48 - HG3 LYS 52 far 0 92 0 - 6.4-8.8 Violated in 0 structures by 0.00 A. Peak 1549 from cnoeabs.peaks (8.38, 0.94, 23.91 ppm; 5.17 A increased from 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HG3 LYS 52 OK 100 100 100 100 2.3-4.9 4.8=100 H TRP 48 - HG3 LYS 52 far 0 79 0 - 8.0-9.5 H ALA 73 - HG3 LYS 52 far 0 100 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 1550 from cnoeabs.peaks (8.09, 1.24, 30.05 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HD2 LYS 52 OK 100 100 100 100 3.2-4.4 6649=100, 6650/1.8=90...(13) Violated in 0 structures by 0.00 A. Peak 1551 from cnoeabs.peaks (3.15, 1.24, 30.05 ppm; 5.61 A increased from 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 52 + HD2 LYS 52 OK 100 100 100 100 4.4-5.5 5.1=100 HB3 ASP 46 - HD2 LYS 52 far 5 97 5 - 6.2-8.0 Violated in 0 structures by 0.00 A. Peak 1552 from cnoeabs.peaks (0.47, 1.24, 30.05 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 52 + HD2 LYS 52 OK 100 100 100 100 2.6-3.9 3.4=100 QD2 LEU 51 - HD2 LYS 52 far 0 100 0 - 5.5-6.7 Violated in 0 structures by 0.00 A. Peak 1553 from cnoeabs.peaks (1.40, 1.24, 30.05 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 52 + HD2 LYS 52 OK 100 100 100 100 2.1-3.6 3.4=100 HG LEU 70 - HD2 LYS 52 far 0 73 0 - 5.5-7.0 QB ALA 47 - HD2 LYS 52 far 0 73 0 - 7.3-9.0 Violated in 0 structures by 0.00 A. Peak 1554 from cnoeabs.peaks (0.79, 1.24, 30.05 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 52 + HD2 LYS 52 OK 100 100 100 100 2.2-3.0 2.9=100 QD1 ILE 67 - HD2 LYS 52 far 0 99 0 - 5.9-7.3 QD1 ILE 23 - HD2 LYS 52 far 0 59 0 - 6.2-7.7 QG2 VAL 69 - HD2 LYS 52 far 0 97 0 - 6.8-8.0 QG2 ILE 23 - HD2 LYS 52 far 0 99 0 - 8.8-10.4 HB3 LEU 55 - HD2 LYS 52 far 0 87 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (0.94, 1.24, 30.05 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 52 + HD2 LYS 52 OK 100 100 100 100 2.5-3.0 2.9=100 QG2 ILE 67 - HD2 LYS 52 far 0 57 0 - 7.7-9.4 QG2 THR 74 - HD2 LYS 52 far 0 90 0 - 7.8-9.8 QG1 VAL 25 - HD2 LYS 52 far 0 68 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 1556 from cnoeabs.peaks (1.24, 1.24, 30.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 52 + HD2 LYS 52 OK 100 100 - 100 Peak 1557 from cnoeabs.peaks (1.16, 1.24, 30.05 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 52 + HD2 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 66 - HD2 LYS 52 far 0 84 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 1558 from cnoeabs.peaks (2.94, 1.24, 30.05 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 52 + HD2 LYS 52 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1559 from cnoeabs.peaks (2.80, 1.24, 30.05 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 52 + HD2 LYS 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TRP 48 - HD2 LYS 52 far 0 92 0 - 4.6-7.7 HD2 ARG 66 - HD2 LYS 52 far 0 99 0 - 6.6-9.3 Violated in 0 structures by 0.00 A. Peak 1560 from cnoeabs.peaks (8.38, 1.24, 30.05 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.90: * H ASP 53 + HD2 LYS 52 OK 90 100 90 100 3.8-5.5 6660/6649=72...(9) H TRP 48 - HD2 LYS 52 far 0 79 0 - 6.3-8.4 H ALA 73 - HD2 LYS 52 far 0 100 0 - 9.0-10.9 Violated in 3 structures by 0.09 A. Peak 1561 from cnoeabs.peaks (8.09, 1.16, 30.05 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 52 + HD3 LYS 52 OK 100 100 100 100 3.6-4.1 6650=100, 6649/1.8=93...(13) Violated in 0 structures by 0.00 A. Peak 1562 from cnoeabs.peaks (3.15, 1.16, 30.05 ppm; 5.22 A increased from 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 52 + HD3 LYS 52 OK 100 100 100 100 4.4-5.0 5.1=100 HB3 ASP 46 - HD3 LYS 52 far 0 97 0 - 6.7-8.2 Violated in 0 structures by 0.00 A. Peak 1563 from cnoeabs.peaks (0.47, 1.16, 30.05 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 52 + HD3 LYS 52 OK 100 100 100 100 2.6-4.0 3.4=100 QD2 LEU 51 - HD3 LYS 52 far 0 100 0 - 5.1-6.7 Violated in 1 structures by 0.00 A. Peak 1564 from cnoeabs.peaks (1.40, 1.16, 30.05 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 52 + HD3 LYS 52 OK 100 100 100 100 2.1-3.5 3.4=100 HG LEU 70 - HD3 LYS 52 far 0 73 0 - 5.0-6.7 QB ALA 47 - HD3 LYS 52 far 0 73 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (0.79, 1.16, 30.05 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 52 + HD3 LYS 52 OK 100 100 100 100 2.2-2.9 2.9=100 QD1 ILE 67 - HD3 LYS 52 far 0 99 0 - 5.6-6.9 QD1 ILE 23 - HD3 LYS 52 far 0 59 0 - 5.9-7.5 QG2 VAL 69 - HD3 LYS 52 far 0 97 0 - 6.4-7.7 QG2 ILE 23 - HD3 LYS 52 far 0 99 0 - 8.6-10.2 HB3 LEU 55 - HD3 LYS 52 far 0 87 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (0.94, 1.16, 30.05 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 52 + HD3 LYS 52 OK 100 100 100 100 2.6-3.0 2.9=100 QG2 ILE 67 - HD3 LYS 52 far 0 57 0 - 7.5-9.0 QG2 THR 74 - HD3 LYS 52 far 0 90 0 - 7.9-9.4 QG1 VAL 25 - HD3 LYS 52 far 0 68 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 1567 from cnoeabs.peaks (1.24, 1.16, 30.05 ppm; 2.69 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 52 + HD3 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 67 - HD3 LYS 52 far 0 100 0 - 8.9-10.5 HG13 ILE 23 - HD3 LYS 52 far 0 96 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1568 from cnoeabs.peaks (1.16, 1.16, 30.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 52 + HD3 LYS 52 OK 100 100 - 100 Peak 1569 from cnoeabs.peaks (2.94, 1.16, 30.05 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 52 + HD3 LYS 52 OK 100 100 100 100 2.2-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1570 from cnoeabs.peaks (2.80, 1.16, 30.05 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 52 + HD3 LYS 52 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 TRP 48 - HD3 LYS 52 far 5 92 5 - 4.2-6.5 HD2 ARG 66 - HD3 LYS 52 far 0 99 0 - 6.2-9.6 Violated in 0 structures by 0.00 A. Peak 1571 from cnoeabs.peaks (8.38, 1.16, 30.05 ppm; 5.56 A increased from 4.68 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HD3 LYS 52 OK 100 100 100 100 4.3-5.5 6667=100, 1560/1.8=94...(10) H TRP 48 - HD3 LYS 52 far 0 79 0 - 6.2-8.0 H ALA 73 - HD3 LYS 52 far 0 100 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 1574 from cnoeabs.peaks (0.47, 2.94, 41.80 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 52 + HE2 LYS 52 OK 100 100 100 100 3.2-4.7 4.7=100 QD2 LEU 51 - HE2 LYS 52 far 0 100 0 - 6.4-7.9 Violated in 0 structures by 0.00 A. Peak 1575 from cnoeabs.peaks (1.40, 2.94, 41.80 ppm; 3.68 A increased from 2.95 A): 5 out of 7 assignments used, quality = 1.00: HG3 LYS 31 + HE2 LYS 31 OK 82 82 100 100 2.0-3.7 3.9=84, 1.8/864=41...(30) HG3 LYS 31 + HE3 LYS 31 OK 82 82 100 100 2.1-3.7 3.9=84, 1.8/864=37...(30) HG2 LYS 31 + HE3 LYS 31 OK 78 78 100 100 2.3-4.1 3.9=84, 1.8/875=40...(33) HG2 LYS 31 + HE2 LYS 31 OK 78 78 100 100 2.3-3.9 3.9=84, 3.0/903=41...(33) * HB3 LYS 52 + HE2 LYS 52 OK 74 100 75 98 3.7-4.7 4.7=47, ~1588=39...(12) HG LEU 70 - HE2 LYS 52 far 0 73 0 - 5.9-7.3 QB ALA 47 - HE2 LYS 52 far 0 73 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 1576 from cnoeabs.peaks (0.79, 2.94, 41.80 ppm; 4.39 A increased from 3.90 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 52 + HE2 LYS 52 OK 100 100 100 100 3.6-4.2 3.8=100 QD1 ILE 67 - HE2 LYS 52 far 0 99 0 - 5.2-6.2 QG2 VAL 69 - HE2 LYS 52 far 0 97 0 - 7.2-8.3 QD1 ILE 23 - HE2 LYS 52 far 0 59 0 - 7.6-8.7 QD2 LEU 109 - HE3 LYS 31 far 0 57 0 - 9.3-26.6 QG2 ILE 28 - HE2 LYS 31 far 0 96 0 - 9.3-10.5 QG2 ILE 28 - HE3 LYS 31 far 0 96 0 - 9.3-10.6 QD2 LEU 109 - HE2 LYS 31 far 0 57 0 - 9.8-25.8 HB3 LEU 55 - HE2 LYS 52 far 0 87 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1577 from cnoeabs.peaks (0.94, 2.94, 41.80 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 52 + HE2 LYS 52 OK 100 100 100 100 2.5-3.6 3.8=100 QG2 ILE 67 - HE2 LYS 52 far 0 57 0 - 7.0-8.1 QG2 THR 74 - HE2 LYS 52 far 0 90 0 - 8.1-9.7 QG1 VAL 25 - HE2 LYS 52 far 0 68 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 1578 from cnoeabs.peaks (1.24, 2.94, 41.80 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 52 + HE2 LYS 52 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 67 - HE2 LYS 52 far 0 100 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 1579 from cnoeabs.peaks (1.16, 2.94, 41.80 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 52 + HE2 LYS 52 OK 100 100 100 100 2.2-2.6 3.0=100 HG3 ARG 66 - HE2 LYS 52 far 0 84 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 52 + HE2 LYS 52 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 99 99 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 Peak 1581 from cnoeabs.peaks (2.80, 2.94, 41.80 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 52 + HE2 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TRP 48 - HE2 LYS 52 far 0 92 0 - 6.1-8.2 HD2 ARG 66 - HE2 LYS 52 far 0 99 0 - 6.5-10.0 Violated in 0 structures by 0.00 A. Peak 1584 from cnoeabs.peaks (3.15, 2.80, 41.80 ppm; 5.22 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 52 + HE3 LYS 52 OK 100 100 100 100 4.7-5.4 3.8/1588=89, 1494/3.8=81...(16) HB3 ASN 85 - HE3 LYS 84 far 0 67 0 - 7.3-9.5 HB3 ASP 46 - HE3 LYS 52 far 0 97 0 - 7.9-10.2 HA LYS 52 - HB2 PHE 10 far 0 92 0 - 9.3-10.3 HB2 TRP 16 - HE3 LYS 84 far 0 93 0 - 9.4-13.0 Violated in 4 structures by 0.03 A. Peak 1585 from cnoeabs.peaks (0.47, 2.80, 41.80 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 52 + HE3 LYS 52 OK 100 100 100 100 2.6-4.6 2.9/1588=87, 4.7=85...(12) QD2 LEU 51 - HE3 LYS 52 far 0 100 0 - 6.0-7.8 QD2 LEU 51 - HB2 PHE 10 far 0 92 0 - 7.0-7.5 QD2 LEU 15 - HE3 LYS 84 far 0 71 0 - 9.9-11.6 Violated in 1 structures by 0.00 A. Peak 1586 from cnoeabs.peaks (1.40, 2.80, 41.80 ppm; 3.58 A): 3 out of 10 assignments used, quality = 1.00: HG3 LYS 84 + HE3 LYS 84 OK 85 89 95 100 2.1-4.2 3.8=85, 3.0/3295=59...(15) HD3 LYS 84 + HE3 LYS 84 OK 84 84 100 100 2.3-3.0 3.0=100 * HB3 LYS 52 + HE3 LYS 52 OK 83 100 85 97 2.9-4.5 2.9/1588=63, 1.8/1585=48...(10) HG LEU 70 - HE3 LYS 52 far 0 73 0 - 5.0-7.5 HG13 ILE 11 - HB2 PHE 10 far 0 71 0 - 5.2-6.6 QB ALA 64 - HB2 PHE 10 far 0 81 0 - 6.5-6.8 HG LEU 70 - HB2 PHE 10 far 0 62 0 - 7.8-8.0 HD3 LYS 58 - HB2 PHE 10 far 0 59 0 - 8.9-9.5 HB2 LYS 88 - HE3 LYS 84 far 0 99 0 - 9.0-11.9 QB ALA 47 - HE3 LYS 52 far 0 73 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 1587 from cnoeabs.peaks (0.79, 2.80, 41.80 ppm; 3.83 A increased from 3.23 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 52 + HE3 LYS 52 OK 100 100 100 100 2.8-3.9 3.8=100 QG2 VAL 69 + HB2 PHE 10 OK 87 87 100 100 4.0-4.2 2.1/8453=79, 9806=71...(16) QD1 ILE 67 - HE3 LYS 52 far 5 99 5 - 4.3-6.8 QD2 LEU 36 - HB2 PHE 10 far 0 92 0 - 4.5-4.6 QD1 ILE 11 - HB2 PHE 10 far 0 71 0 - 4.9-6.2 QG2 VAL 69 - HE3 LYS 52 far 0 97 0 - 6.3-8.4 HB3 LEU 55 - HB2 PHE 10 far 0 75 0 - 6.4-6.9 QG2 ILE 28 - HB2 PHE 10 far 0 89 0 - 6.7-6.8 QD1 ILE 23 - HE3 LYS 52 far 0 59 0 - 7.6-9.0 QD1 ILE 67 - HB2 PHE 10 far 0 91 0 - 8.1-8.5 QG2 ILE 90 - HE3 LYS 84 far 0 96 0 - 8.9-11.5 HB3 LEU 55 - HE3 LYS 52 far 0 87 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 1588 from cnoeabs.peaks (0.94, 2.80, 41.80 ppm; 3.14 A): 1 out of 9 assignments used, quality = 0.91: * HG3 LYS 52 + HE3 LYS 52 OK 91 100 100 91 2.0-3.0 3.8=58, 2.9/1585=30...(14) QG1 VAL 25 - HB2 PHE 10 far 0 57 0 - 3.9-4.0 QG2 ILE 67 - HE3 LYS 52 far 0 57 0 - 6.1-9.3 HG13 ILE 28 - HB2 PHE 10 far 0 87 0 - 6.1-6.3 QG2 THR 74 - HE3 LYS 52 far 0 90 0 - 7.8-10.7 QG2 ILE 67 - HB2 PHE 10 far 0 48 0 - 8.5-8.8 QG1 VAL 76 - HE3 LYS 84 far 0 99 0 - 9.3-11.0 QG1 VAL 25 - HE3 LYS 52 far 0 68 0 - 9.4-10.5 QG1 VAL 14 - HE3 LYS 84 far 0 98 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 1589 from cnoeabs.peaks (1.24, 2.80, 41.80 ppm; 3.09 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 52 + HE3 LYS 52 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 84 + HE3 LYS 84 OK 42 59 75 95 2.0-4.0 3.8=55, 3.0/3295=45...(15) HG12 ILE 28 - HB2 PHE 10 far 0 72 0 - 5.0-5.1 HB2 LEU 83 - HE3 LYS 84 far 0 98 0 - 5.8-7.8 HG12 ILE 67 - HE3 LYS 52 far 0 100 0 - 7.1-10.4 HB ILE 61 - HB2 PHE 10 far 0 67 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 1590 from cnoeabs.peaks (1.16, 2.80, 41.80 ppm; 3.03 A): 1 out of 8 assignments used, quality = 1.00: * HD3 LYS 52 + HE3 LYS 52 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 66 - HB2 PHE 10 far 0 72 0 - 6.2-8.1 QD1 LEU 36 - HB2 PHE 10 far 0 91 0 - 6.8-6.9 HB2 LEU 12 - HB2 PHE 10 far 0 77 0 - 6.8-7.0 HG3 ARG 66 - HE3 LYS 52 far 0 84 0 - 7.0-10.0 HG2 LYS 88 - HE3 LYS 84 far 0 57 0 - 8.7-12.4 HG2 LYS 13 - HB2 PHE 10 far 0 90 0 - 8.9-10.4 HG3 LYS 13 - HB2 PHE 10 far 0 90 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (2.94, 2.80, 41.80 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE2 LYS 52 + HE3 LYS 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 82 - HE3 LYS 84 far 0 99 0 - 8.1-10.4 HB2 ASN 71 - HB2 PHE 10 far 0 92 0 - 9.6-11.4 HB2 ASN 71 - HE3 LYS 52 far 0 100 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1592 from cnoeabs.peaks (2.80, 2.80, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 52 + HE3 LYS 52 OK 100 100 - 100 HE3 LYS 84 + HE3 LYS 84 OK 98 98 - 100 HB2 PHE 10 + HB2 PHE 10 OK 85 85 - 100 Peak 1594 from cnoeabs.peaks (8.38, 4.10, 57.09 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 53 + HA ASP 53 OK 100 100 100 100 2.7-2.8 3.0=100 H GLU 110 + HA GLU 110 OK 39 39 100 100 2.3-2.9 2.9=100 H ASP 18 - HA GLU 110 far 0 52 0 - 8.9-23.6 Violated in 0 structures by 0.00 A. Peak 1595 from cnoeabs.peaks (4.10, 4.10, 57.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 53 + HA ASP 53 OK 100 100 - 100 HA GLU 110 + HA GLU 110 OK 43 43 - 100 Peak 1596 from cnoeabs.peaks (2.48, 4.10, 57.09 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 53 + HA ASP 53 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 TYR 39 - HA GLU 110 far 2 39 5 - 2.2-15.8 HE3 LYS 13 - HA GLU 110 far 0 58 0 - 5.5-17.0 HG3 GLN 49 - HA ASP 53 far 0 79 0 - 6.3-6.9 HB3 ASN 20 - HA GLU 110 far 0 36 0 - 8.5-24.4 Violated in 0 structures by 0.00 A. Peak 1597 from cnoeabs.peaks (2.56, 4.10, 57.09 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 53 + HA ASP 53 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 13 - HA GLU 110 far 0 36 0 - 5.7-16.0 HB2 ASP 46 - HA ASP 53 far 0 91 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 1598 from cnoeabs.peaks (7.64, 4.10, 57.09 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 54 + HA ASP 53 OK 100 100 100 100 3.5-3.5 3.6=100 HD21 ASN 108 - HA GLU 110 far 3 58 5 - 4.5-9.6 HD21 ASN 20 - HA GLU 110 far 0 58 0 - 8.1-25.9 Violated in 0 structures by 0.00 A. Peak 1599 from cnoeabs.peaks (8.54, 4.10, 57.09 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 56 + HA ASP 53 OK 100 100 100 100 3.6-3.8 6712=69, 6733/6729=59...(9) H VAL 14 - HA GLU 110 far 0 58 0 - 9.3-17.7 Violated in 0 structures by 0.00 A. Peak 1600 from cnoeabs.peaks (1.91, 4.10, 57.09 ppm; 3.22 A): 3 out of 5 assignments used, quality = 0.99: * HB2 GLU 56 + HA ASP 53 OK 95 100 100 95 2.2-2.5 1710=46, 1.8/1718=43...(9) HB2 GLU 110 + HA GLU 110 OK 48 48 100 100 2.4-3.0 3.0=100 HG3 GLU 56 + HA ASP 53 OK 48 96 55 90 3.3-4.7 3.0/1710=36, 3.0/1718=35...(8) HG3 PRO 35 - HA GLU 110 far 0 55 0 - 8.4-21.4 HB3 LEU 70 - HA ASP 53 far 0 68 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1601 from cnoeabs.peaks (1.83, 4.10, 57.09 ppm; 3.40 A): 2 out of 4 assignments used, quality = 0.88: * HB3 GLU 56 + HA ASP 53 OK 72 100 75 97 3.8-4.2 1718=53, 1.8/1710=51...(9) HB3 GLU 110 + HA GLU 110 OK 58 58 100 100 2.3-3.0 3.0=100 HB2 LEU 17 - HA GLU 110 far 0 42 0 - 8.4-23.1 HB VAL 103 - HA GLU 110 far 0 30 0 - 8.9-19.2 Violated in 0 structures by 0.00 A. Peak 1602 from cnoeabs.peaks (3.70, 2.48, 39.72 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.98: * HA GLN 50 + HB2 ASP 53 OK 98 100 100 98 3.2-4.4 1400/1.8=86...(5) HB3 SER 38 - HB3 TYR 39 far 0 78 0 - 5.5-5.6 HA LEU 55 - HB2 ASP 53 far 0 99 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 1603 from cnoeabs.peaks (8.38, 2.48, 39.72 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HB2 ASP 53 OK 100 100 100 100 2.2-3.4 6671=100, 6672/1.8=86...(4) H GLU 110 - HB3 TYR 39 far 0 55 0 - 4.3-14.5 H TRP 48 - HB2 ASP 53 far 0 79 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (4.10, 2.48, 39.72 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 53 + HB2 ASP 53 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 110 - HB3 TYR 39 far 3 60 5 - 2.2-15.8 HA LYS 58 - HB2 ASP 53 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 1605 from cnoeabs.peaks (2.48, 2.48, 39.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 53 + HB2 ASP 53 OK 100 100 - 100 HB3 TYR 39 + HB3 TYR 39 OK 55 55 - 100 Peak 1606 from cnoeabs.peaks (2.56, 2.48, 39.72 ppm; 2.98 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 53 + HB2 ASP 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 46 - HB2 ASP 53 far 0 91 0 - 6.8-10.1 HE2 LYS 13 - HB3 TYR 39 far 0 50 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 1607 from cnoeabs.peaks (7.64, 2.48, 39.72 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 54 + HB2 ASP 53 OK 100 100 100 100 2.9-3.9 6682=100, 6683/1.8=82...(4) HD21 ASN 108 - HB3 TYR 39 far 0 78 0 - 6.3-17.5 Violated in 0 structures by 0.00 A. Peak 1608 from cnoeabs.peaks (3.70, 2.56, 39.72 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 50 + HB3 ASP 53 OK 100 100 100 100 2.9-3.4 1400=100, 1602/1.8=82...(5) HA LEU 55 - HB3 ASP 53 far 0 99 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 1609 from cnoeabs.peaks (8.38, 2.56, 39.72 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 53 + HB3 ASP 53 OK 100 100 100 100 2.1-2.9 6672=100, 6671/1.8=84...(4) H TRP 48 - HB3 ASP 53 far 0 79 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 1610 from cnoeabs.peaks (4.10, 2.56, 39.72 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 53 + HB3 ASP 53 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1611 from cnoeabs.peaks (2.48, 2.56, 39.72 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 53 + HB3 ASP 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 49 - HB3 ASP 53 far 0 79 0 - 3.8-5.3 Violated in 0 structures by 0.00 A. Peak 1612 from cnoeabs.peaks (2.56, 2.56, 39.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 53 + HB3 ASP 53 OK 100 100 - 100 Peak 1613 from cnoeabs.peaks (7.64, 2.56, 39.72 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 54 + HB3 ASP 53 OK 100 100 100 100 2.6-3.7 6683=100, 6682/1.8=90...(4) Violated in 0 structures by 0.00 A. Peak 1614 from cnoeabs.peaks (7.64, 4.04, 58.78 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 54 + HA GLU 54 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1615 from cnoeabs.peaks (4.04, 4.04, 58.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 54 + HA GLU 54 OK 100 100 - 100 Peak 1616 from cnoeabs.peaks (1.96, 4.04, 58.78 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 54 + HA GLU 54 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1617 from cnoeabs.peaks (2.14, 4.04, 58.78 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 54 + HA GLU 54 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1618 from cnoeabs.peaks (2.35, 4.04, 58.78 ppm; 3.60 A increased from 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 54 + HA GLU 54 OK 100 100 100 100 3.4-3.6 1.8/1619=83, 3.9=76...(26) HG2 GLU 56 - HA GLU 54 far 0 61 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 1619 from cnoeabs.peaks (2.26, 4.04, 58.78 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 54 + HA GLU 54 OK 100 100 100 100 2.1-2.3 1647=71, 1.8/1618=58...(20) Violated in 0 structures by 0.00 A. Peak 1620 from cnoeabs.peaks (8.44, 4.04, 58.78 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HA GLU 54 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1621 from cnoeabs.peaks (6.98, 4.04, 58.78 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 57 + HA GLU 54 OK 100 100 100 100 3.7-3.8 6730=95, 6740/1744=83...(8) H LYS 58 - HA GLU 54 far 0 73 0 - 5.0-5.3 H ILE 61 - HA GLU 54 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 1622 from cnoeabs.peaks (1.44, 4.04, 58.78 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 57 + HA GLU 54 OK 100 100 100 100 2.8-2.8 1744=100, 6740/1621=41...(8) HG3 LYS 58 - HA GLU 54 far 0 85 0 - 6.5-6.9 HB2 LEU 36 - HA GLU 54 far 0 95 0 - 8.7-9.2 HG LEU 70 - HA GLU 54 far 0 97 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 1623 from cnoeabs.peaks (3.47, 1.96, 29.33 ppm; 4.39 A increased from 3.90 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 51 + HB2 GLU 54 OK 100 100 100 100 3.8-4.4 1448=94, 1449/1.8=77...(11) HA ALA 95 + HB2 GLU 94 OK 78 82 100 95 4.1-4.7 ~2608=46, 1631/1.8=41...(8) HA ALA 95 - HG13 ILE 90 far 5 99 5 - 4.9-6.8 HB2 SER 38 - HB2 GLU 54 far 0 93 0 - 7.5-7.9 HA ARG 66 - HB2 GLU 54 far 0 98 0 - 7.9-8.2 HA ARG 66 - HB3 GLU 63 far 0 93 0 - 8.1-8.3 HB3 TRP 80 - HG13 ILE 90 far 0 100 0 - 8.4-10.0 HA GLN 49 - HB2 GLU 54 far 0 97 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 1624 from cnoeabs.peaks (7.64, 1.96, 29.33 ppm; 3.52 A increased from 3.13 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 54 + HB2 GLU 54 OK 100 100 100 100 3.3-3.4 6685=96, 6686/1.8=87...(16) H GLU 94 + HB2 GLU 94 OK 80 81 100 99 3.5-3.6 3.9=75, 2609/3.0=53...(11) H GLU 94 - HG13 ILE 90 far 0 99 0 - 4.3-5.9 H LYS 84 - HG13 ILE 90 far 0 90 0 - 8.4-10.0 HE22 GLN 96 - HB2 GLU 94 far 0 83 0 - 9.4-11.2 HE22 GLN 96 - HB3 GLU 101 far 0 99 0 - 9.5-10.8 HE22 GLN 96 - HB2 GLN 72 far 0 67 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1625 from cnoeabs.peaks (4.04, 1.96, 29.33 ppm; 3.29 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 54 + HB2 GLU 54 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 93 - HB2 GLU 94 far 0 60 0 - 6.6-6.6 HA ALA 93 - HG13 ILE 90 far 0 80 0 - 7.1-8.8 HA GLU 75 - HB2 GLN 72 far 0 62 0 - 7.3-7.5 HA GLU 75 - HB3 GLU 101 far 0 95 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 1626 from cnoeabs.peaks (1.96, 1.96, 29.33 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 GLU 54 + HB2 GLU 54 OK 100 100 - 100 HG13 ILE 90 + HG13 ILE 90 OK 100 100 - 100 HB3 GLU 101 + HB3 GLU 101 OK 97 97 - 100 HB3 GLU 63 + HB3 GLU 63 OK 92 92 - 100 HB2 GLU 94 + HB2 GLU 94 OK 67 67 - 100 HB2 GLN 72 + HB2 GLN 72 OK 38 38 - 100 Peak 1627 from cnoeabs.peaks (2.14, 1.96, 29.33 ppm; 2.40 A): 6 out of 9 assignments used, quality = 1.00: * HB3 GLU 54 + HB2 GLU 54 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 90 + HG13 ILE 90 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HB2 GLU 94 OK 82 82 100 100 1.8-1.8 1.8=100 HG2 GLU 94 + HB2 GLU 94 OK 73 83 95 92 2.9-3.0 3.0=51, 2610/3.0=26...(17) HG2 GLU 63 + HB3 GLU 63 OK 67 71 100 94 2.4-2.6 3.0=52, 1.8/1989=25...(20) HB3 GLU 94 + HG13 ILE 90 OK 53 99 70 77 2.6-4.5 1634=12, 3562/2.1=11...(29) HG3 GLU 63 - HB3 GLU 63 poor 20 73 30 91 2.3-3.0 3.0=52, 1.8/1982=25...(17) HG12 ILE 90 - HB2 GLU 94 far 0 81 0 - 4.0-5.1 HG2 GLU 94 - HG13 ILE 90 far 0 100 0 - 4.3-5.5 Violated in 0 structures by 0.00 A. Peak 1628 from cnoeabs.peaks (2.35, 1.96, 29.33 ppm; 2.52 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLU 54 + HB2 GLU 54 OK 98 100 100 98 2.6-2.7 3.0=60, 1642/1.8=51...(16) HB2 GLU 101 + HB3 GLU 101 OK 98 98 100 100 1.8-1.8 1.8=100 HB2 GLU 101 - HB2 GLN 72 far 0 65 0 - 3.9-4.5 HG2 GLU 75 - HB2 GLN 72 far 0 48 0 - 4.7-6.1 HG2 GLU 75 - HB3 GLU 101 far 0 79 0 - 6.4-7.7 HB2 PRO 100 - HB3 GLU 101 far 0 85 0 - 7.1-7.1 HG2 GLU 56 - HB2 GLU 54 far 0 61 0 - 7.2-8.0 HG2 GLU 56 - HB3 GLU 63 far 0 56 0 - 8.7-11.0 HB2 PRO 100 - HB2 GLN 72 far 0 53 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 1629 from cnoeabs.peaks (2.26, 1.96, 29.33 ppm; 2.50 A): 7 out of 22 assignments used, quality = 1.00: * HG3 GLU 54 + HB2 GLU 54 OK 97 100 100 97 2.9-3.0 3.0=58, 1649/1.8=53...(16) HG3 GLU 101 + HB3 GLU 101 OK 82 86 100 95 2.3-2.3 3.0=58, 2859/1.8=25...(17) HG2 GLU 101 + HB3 GLU 101 OK 82 88 100 93 3.0-3.0 3.0=58, 2858/3.0=28...(13) HG3 GLU 94 + HB2 GLU 94 OK 75 81 100 93 2.5-2.7 3.0=58, 2619/1.8=30...(21) HB3 GLN 72 + HB2 GLN 72 OK 59 59 100 100 1.8-1.8 1.8=100 HG2 GLN 72 + HB2 GLN 72 OK 37 40 100 91 2.2-2.3 3.0=59, ~2315=14...(18) HB3 GLN 72 + HB3 GLU 101 OK 28 92 100 30 2.0-2.1 10491/4.0=10, 3.0/9673=6...(6) HG2 GLN 72 - HB3 GLU 101 far 0 68 0 - 3.7-4.2 HG3 GLU 101 - HB2 GLN 72 far 0 54 0 - 3.9-4.4 HB2 GLU 75 - HB2 GLN 72 far 0 65 0 - 4.5-4.8 HG2 GLU 101 - HB2 GLN 72 far 0 55 0 - 5.2-5.7 HG3 GLU 94 - HG13 ILE 90 far 0 99 0 - 5.4-6.7 HG3 GLN 89 - HG13 ILE 90 far 0 84 0 - 5.9-8.9 HG2 GLN 89 - HG13 ILE 90 far 0 96 0 - 6.1-8.8 HB3 GLU 75 - HB2 GLN 72 far 0 64 0 - 6.2-6.4 HB2 GLU 75 - HB3 GLU 101 far 0 97 0 - 6.3-6.5 HB3 GLU 75 - HB3 GLU 101 far 0 97 0 - 7.6-7.8 HG2 GLN 96 - HB2 GLU 94 far 0 83 0 - 7.9-9.0 HG2 GLN 96 - HG13 ILE 90 far 0 100 0 - 7.9-10.8 HG3 GLN 89 - HB2 GLU 94 far 0 65 0 - 8.8-12.1 HB2 GLN 86 - HG13 ILE 90 far 0 100 0 - 8.9-11.0 HG2 GLN 89 - HB2 GLU 94 far 0 76 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 1630 from cnoeabs.peaks (8.44, 1.96, 29.33 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 55 + HB2 GLU 54 OK 100 100 100 100 2.6-2.8 6698=100, 1638/1.8=68...(12) H THR 74 - HB2 GLN 72 far 0 43 0 - 5.6-5.7 H THR 74 - HB3 GLU 101 far 0 72 0 - 7.9-8.2 H ASN 78 - HB2 GLN 72 far 0 64 0 - 8.8-8.9 H ASP 82 - HG13 ILE 90 far 0 93 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 1631 from cnoeabs.peaks (3.47, 2.14, 29.33 ppm; 3.90 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 51 + HB3 GLU 54 OK 100 100 100 100 2.5-2.9 1449=70, 6677/6686=60...(11) HA ALA 95 + HB3 GLU 94 OK 86 96 100 90 4.2-4.5 2.9/2608=51, 1623/1.8=27...(9) HA ALA 95 - HG12 ILE 90 far 0 99 0 - 5.2-6.8 HB2 SER 38 - HB3 GLU 54 far 0 93 0 - 7.4-7.6 HA GLN 49 - HB3 GLU 54 far 0 97 0 - 7.7-8.0 HA ARG 66 - HB3 GLU 54 far 0 98 0 - 8.1-8.4 HB3 TRP 80 - HG12 ILE 90 far 0 99 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 1632 from cnoeabs.peaks (7.64, 2.14, 29.33 ppm; 2.95 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 54 + HB3 GLU 54 OK 100 100 100 100 2.1-2.1 6686=100, 6685/1.8=50...(16) H GLU 94 + HB3 GLU 94 OK 90 94 100 96 2.3-2.7 7183=49, 2609/3.0=37...(14) H GLU 94 - HG12 ILE 90 far 0 98 0 - 5.9-6.5 H LYS 84 - HG12 ILE 90 far 0 88 0 - 7.9-8.6 HE22 GLN 96 - HB3 GLU 94 far 0 96 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 1633 from cnoeabs.peaks (4.04, 2.14, 29.33 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 54 + HB3 GLU 54 OK 100 100 100 100 2.9-2.9 3.0=100 HA ALA 93 - HB3 GLU 94 far 0 74 0 - 5.7-6.0 HA ALA 93 - HG12 ILE 90 far 0 78 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1634 from cnoeabs.peaks (1.96, 2.14, 29.33 ppm; 2.44 A): 6 out of 12 assignments used, quality = 1.00: * HB2 GLU 54 + HB3 GLU 54 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 90 + HG12 ILE 90 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 94 + HB3 GLU 94 OK 82 82 100 100 1.8-1.8 1.8=100 HB ILE 90 + HG12 ILE 90 OK 58 74 100 78 2.8-3.0 3.0=54, 4.0/3556=9...(11) HG13 ILE 90 + HB3 GLU 94 OK 57 96 75 78 2.6-4.5 2.1/2568=11, 1627=11...(29) HB ILE 90 + HB3 GLU 94 OK 56 70 100 79 2.0-3.0 2611/3.0=11, ~10114=10...(31) HB2 GLU 94 - HG12 ILE 90 far 0 86 0 - 4.0-5.1 HB3 GLN 89 - HG12 ILE 90 far 0 99 0 - 6.2-7.4 HB3 GLN 89 - HB3 GLU 94 far 0 96 0 - 8.5-10.6 HB VAL 69 - HB3 GLU 54 far 0 96 0 - 8.7-9.0 HB3 GLN 27 - HB3 GLU 54 far 0 91 0 - 9.4-10.2 HB2 GLN 27 - HB3 GLU 54 far 0 94 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 1635 from cnoeabs.peaks (2.14, 2.14, 29.33 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 54 + HB3 GLU 54 OK 100 100 - 100 HG12 ILE 90 + HG12 ILE 90 OK 98 98 - 100 HB3 GLU 94 + HB3 GLU 94 OK 95 95 - 100 Peak 1636 from cnoeabs.peaks (2.35, 2.14, 29.33 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 54 + HB3 GLU 54 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 GLU 56 - HB3 GLU 54 far 0 61 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (2.26, 2.14, 29.33 ppm; 2.84 A increased from 2.68 A): 2 out of 13 assignments used, quality = 1.00: * HG3 GLU 54 + HB3 GLU 54 OK 100 100 100 100 2.6-2.7 1649=100, 1.8/1642=65...(23) HG3 GLU 94 + HB3 GLU 94 OK 94 95 100 99 2.9-3.0 3.0=85, 2617/3.0=39...(24) HG3 GLN 89 - HG12 ILE 90 far 0 83 0 - 6.0-8.0 HG2 GLN 89 - HG12 ILE 90 far 0 94 0 - 6.2-8.1 HG3 GLU 94 - HG12 ILE 90 far 0 98 0 - 6.2-6.6 HG2 GLN 96 - HB3 GLU 94 far 0 96 0 - 7.2-8.4 HB2 GLN 86 - HG12 ILE 90 far 0 99 0 - 7.9-9.5 HG3 GLN 89 - HB3 GLU 94 far 0 79 0 - 8.0-11.3 HG2 GLN 89 - HB3 GLU 94 far 0 90 0 - 8.3-11.5 HG2 GLN 96 - HG12 ILE 90 far 0 99 0 - 9.3-11.8 HB3 GLN 49 - HB3 GLU 54 far 0 99 0 - 9.5-9.8 HG2 GLN 49 - HB3 GLU 54 far 0 63 0 - 9.5-9.9 HG2 GLN 86 - HG12 ILE 90 far 0 84 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 1638 from cnoeabs.peaks (8.44, 2.14, 29.33 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + HB3 GLU 54 OK 100 100 100 100 2.8-2.9 6699=87, 6698/1.8=79...(10) H ASP 82 - HG12 ILE 90 far 0 92 0 - 8.4-9.1 H TRP 48 - HB3 GLU 54 far 0 79 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (7.64, 2.35, 35.99 ppm; 4.15 A increased from 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 54 + HG2 GLU 54 OK 100 100 100 100 3.8-3.9 6687=100, 6688/1.8=87...(13) Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (4.04, 2.35, 35.99 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 54 + HG2 GLU 54 OK 100 100 100 100 3.4-3.6 1618=77, 1619/1.8=74...(26) HA GLU 75 + HG2 GLU 75 OK 74 75 100 99 2.7-3.4 2354=80, 3.0/7063=38...(14) Violated in 0 structures by 0.00 A. Peak 1641 from cnoeabs.peaks (1.96, 2.35, 35.99 ppm; 3.13 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 54 + HG2 GLU 54 OK 100 100 100 100 2.6-2.7 3.0=100 HB2 GLN 72 - HG2 GLU 75 far 0 47 0 - 4.7-6.1 HB3 GLU 101 - HG2 GLU 75 far 0 77 0 - 6.4-7.7 HB3 LEU 70 - HG2 GLU 75 far 0 78 0 - 8.4-8.8 HG2 PRO 100 - HG2 GLU 75 far 0 79 0 - 9.1-10.3 HB3 GLN 27 - HG2 GLU 54 far 0 91 0 - 9.4-10.5 HB VAL 69 - HG2 GLU 75 far 0 73 0 - 9.6-10.6 HB VAL 69 - HG2 GLU 54 far 0 96 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1642 from cnoeabs.peaks (2.14, 2.35, 35.99 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 54 + HG2 GLU 54 OK 100 100 100 100 2.2-2.3 3.0=90, 1649/1.8=69...(25) Violated in 0 structures by 0.00 A. Peak 1643 from cnoeabs.peaks (2.35, 2.35, 35.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 54 + HG2 GLU 54 OK 100 100 - 100 HG2 GLU 75 + HG2 GLU 75 OK 59 59 - 100 Peak 1644 from cnoeabs.peaks (2.26, 2.35, 35.99 ppm; 2.40 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 54 + HG2 GLU 54 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 75 + HG2 GLU 75 OK 68 77 100 87 2.4-2.8 3.0=51, 3.0/2354=23...(14) HB3 GLU 75 + HG2 GLU 75 OK 53 77 80 86 2.9-3.0 3.0=51, 3.0/2354=23...(13) HB3 GLN 72 - HG2 GLU 75 far 0 71 0 - 4.8-6.1 HG2 GLN 72 - HG2 GLU 75 far 0 50 0 - 6.0-7.4 HG3 GLU 101 - HG2 GLU 75 far 0 65 0 - 6.5-7.8 HG2 GLU 101 - HG2 GLU 75 far 0 67 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 1645 from cnoeabs.peaks (8.44, 2.35, 35.99 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 55 + HG2 GLU 54 OK 100 100 100 100 4.8-5.0 6698/3.0=77...(9) H THR 74 + HG2 GLU 75 OK 49 53 100 92 3.9-4.4 4.6/7063=43, 4.0/9930=41...(7) H ASN 78 - HG2 GLU 75 far 0 77 0 - 5.9-6.2 H TRP 48 - HG2 GLU 54 far 0 79 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1646 from cnoeabs.peaks (7.64, 2.26, 35.99 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 54 + HG3 GLU 54 OK 100 100 100 100 3.3-3.7 6688=100, 6686/1649=76...(13) Violated in 0 structures by 0.00 A. Peak 1647 from cnoeabs.peaks (4.04, 2.26, 35.99 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 54 + HG3 GLU 54 OK 100 100 100 100 2.1-2.3 1619=100, 1618/1.8=72...(20) Violated in 0 structures by 0.00 A. Peak 1648 from cnoeabs.peaks (1.96, 2.26, 35.99 ppm; 3.09 A increased from 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 54 + HG3 GLU 54 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (2.14, 2.26, 35.99 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 54 + HG3 GLU 54 OK 100 100 100 100 2.6-2.7 3.0=82, 1642/1.8=63...(24) Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (2.35, 2.26, 35.99 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 54 + HG3 GLU 54 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 56 - HG3 GLU 54 far 0 61 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (2.26, 2.26, 35.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 54 + HG3 GLU 54 OK 100 100 - 100 Peak 1652 from cnoeabs.peaks (8.44, 2.26, 35.99 ppm; 5.06 A increased from 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HG3 GLU 54 OK 100 100 100 100 4.8-4.8 6698/3.0=91...(8) Violated in 0 structures by 0.00 A. Peak 1653 from cnoeabs.peaks (8.44, 3.71, 57.04 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HA LEU 55 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1654 from cnoeabs.peaks (3.71, 3.71, 57.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HA LEU 55 OK 100 100 - 100 HA GLN 96 + HA GLN 96 OK 84 84 - 100 Peak 1655 from cnoeabs.peaks (1.60, 3.71, 57.04 ppm; 3.84 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 55 + HA LEU 55 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 LYS 58 + HA LEU 55 OK 94 95 100 99 2.0-3.3 1.8/9565=59, 3.0/9563=44...(13) HG LEU 36 + HA LEU 55 OK 51 61 100 83 3.9-4.1 2.1/9162=54, 2.1/9163=30...(7) HB2 ARG 66 - HA LEU 55 far 0 96 0 - 4.9-5.4 QB ALA 62 - HA LEU 55 far 0 81 0 - 8.0-8.3 HB2 GLN 50 - HA LEU 55 far 0 91 0 - 10.0-10.6 HB3 LYS 13 - HA GLN 96 far 0 88 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 1656 from cnoeabs.peaks (0.77, 3.71, 57.04 ppm; 4.03 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 55 + HA LEU 55 OK 100 100 100 100 2.3-2.4 3.0=100 QD2 LEU 36 + HA LEU 55 OK 90 91 100 99 3.1-3.4 8248/1696=72, 9162=65...(14) QG2 VAL 69 - HA LEU 55 far 0 99 0 - 6.0-6.2 QD1 ILE 67 - HA LEU 55 far 0 73 0 - 8.2-8.6 HG2 LYS 52 - HA LEU 55 far 0 87 0 - 8.2-8.9 QD2 LEU 109 - HA GLN 96 far 0 82 0 - 9.2-17.7 QG2 ILE 90 - HA GLN 96 far 0 84 0 - 9.2-10.1 QD1 ILE 11 - HA LEU 55 far 0 100 0 - 9.4-11.4 QD1 ILE 23 - HA LEU 55 far 0 96 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 1657 from cnoeabs.peaks (1.74, 3.71, 57.04 ppm; 4.19 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + HA LEU 55 OK 100 100 100 100 3.4-3.6 2.1/1696=95, 4.3=95...(20) HB2 GLN 96 + HA GLN 96 OK 77 77 100 100 2.6-2.9 3.0=100 HB3 ARG 66 - HA LEU 55 far 0 79 0 - 5.4-7.0 HB3 LEU 36 - HA LEU 55 far 0 100 0 - 5.9-6.1 HB VAL 25 - HA LEU 55 far 0 65 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 1658 from cnoeabs.peaks (0.43, 3.71, 57.04 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HA LEU 55 OK 100 100 100 100 3.8-3.9 3.9=100 QD1 LEU 70 - HA LEU 55 far 0 99 0 - 6.5-6.9 QD2 LEU 15 - HA GLN 96 far 0 86 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (0.33, 3.71, 57.04 ppm; 3.07 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 55 + HA LEU 55 OK 100 100 100 100 2.0-2.2 1696=100, 6707/3.0=43...(26) QG2 ILE 61 + HA LEU 55 OK 82 100 100 83 3.3-3.7 3.3/8380=33, 1668/3.0=18...(14) HB2 LYS 58 - HA LEU 55 far 0 92 0 - 4.8-5.6 QG2 VAL 76 - HA GLN 96 far 0 50 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (8.54, 3.71, 57.04 ppm; 5.14 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 56 + HA LEU 55 OK 100 100 100 100 3.5-3.5 3.6=100 H VAL 14 - HA GLN 96 far 0 89 0 - 7.3-8.1 H ILE 67 - HA LEU 55 far 0 100 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 1662 from cnoeabs.peaks (8.44, 1.60, 41.59 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.6-2.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1663 from cnoeabs.peaks (3.71, 1.60, 41.59 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 55 + HB2 LEU 55 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 63 - HB2 LEU 55 far 0 70 0 - 6.6-7.1 HA GLN 50 - HB2 LEU 55 far 0 99 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 1664 from cnoeabs.peaks (1.60, 1.60, 41.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 Peak 1665 from cnoeabs.peaks (0.77, 1.60, 41.59 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 55 + HB2 LEU 55 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 69 - HB2 LEU 55 far 0 99 0 - 4.5-4.7 QD2 LEU 36 - HB2 LEU 55 far 0 91 0 - 4.6-4.9 HG2 LYS 52 - HB2 LEU 55 far 0 87 0 - 5.5-7.0 QD1 ILE 67 - HB2 LEU 55 far 0 73 0 - 5.8-6.1 QD1 ILE 23 - HB2 LEU 55 far 0 96 0 - 8.7-9.1 QD1 ILE 11 - HB2 LEU 55 far 0 100 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 1666 from cnoeabs.peaks (1.74, 1.60, 41.59 ppm; 4.40 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.4-2.4 3.0=100 HB3 ARG 66 + HB2 LEU 55 OK 79 79 100 100 3.2-4.3 1675/1.8=34, ~1673=34...(40) HB VAL 25 - HB2 LEU 55 far 0 65 0 - 6.3-6.9 HB3 LEU 36 - HB2 LEU 55 far 0 100 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 1667 from cnoeabs.peaks (0.43, 1.60, 41.59 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.4-2.5 3.1=100 QD1 LEU 70 + HB2 LEU 55 OK 42 99 60 71 4.0-4.5 ~10485=24, ~8350=14...(12) Violated in 0 structures by 0.00 A. Peak 1668 from cnoeabs.peaks (0.33, 1.60, 41.59 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 55 + HB2 LEU 55 OK 100 100 100 100 3.2-3.2 3.1=100 QG2 ILE 61 + HB2 LEU 55 OK 99 100 100 99 2.6-3.6 1677/1.8=37, 1693/3.1=36...(26) HB2 LYS 58 - HB2 LEU 55 far 0 92 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 1669 from cnoeabs.peaks (8.54, 1.60, 41.59 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 56 + HB2 LEU 55 OK 100 100 100 100 2.5-2.6 4.6=100 H ILE 67 - HB2 LEU 55 far 0 100 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (8.44, 0.77, 41.59 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB3 LEU 55 OK 100 100 100 100 3.6-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (3.71, 0.77, 41.59 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLU 63 - HB3 LEU 55 far 0 70 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (1.60, 0.77, 41.59 ppm; 3.60 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 66 + HB3 LEU 55 OK 95 96 100 99 2.7-3.3 3.4/9714=24, 3.0/8420=24...(38) HD2 LYS 58 - HB3 LEU 55 far 5 95 5 - 4.0-4.9 HG LEU 36 - HB3 LEU 55 far 0 61 0 - 5.0-5.4 QB ALA 62 - HB3 LEU 55 far 0 81 0 - 6.6-6.8 HG13 ILE 67 - HB3 LEU 55 far 0 100 0 - 8.0-8.8 HB2 LEU 70 - HB3 LEU 55 far 0 100 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 1674 from cnoeabs.peaks (0.77, 0.77, 41.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + HB3 LEU 55 OK 100 100 - 100 Peak 1675 from cnoeabs.peaks (1.74, 0.77, 41.59 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 55 + HB3 LEU 55 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 66 + HB3 LEU 55 OK 75 79 95 100 3.2-5.0 1.8/1673=45, 3.4/9714=34...(38) HB VAL 25 - HB3 LEU 55 far 0 65 0 - 6.4-6.7 HB3 LEU 36 - HB3 LEU 55 far 0 100 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 1676 from cnoeabs.peaks (0.43, 0.77, 41.59 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.1-2.3 3.1=100 QD1 LEU 70 - HB3 LEU 55 far 0 99 0 - 5.0-5.7 Violated in 0 structures by 0.00 A. Peak 1677 from cnoeabs.peaks (0.33, 0.77, 41.59 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.4-2.4 3.1=100 QG2 ILE 61 + HB3 LEU 55 OK 99 100 100 100 1.9-2.2 9616=45, 1668/1.8=38...(29) HB2 LYS 58 - HB3 LEU 55 far 0 92 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 1678 from cnoeabs.peaks (8.54, 0.77, 41.59 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 56 + HB3 LEU 55 OK 100 100 100 100 3.7-3.9 4.6=100 H ILE 67 - HB3 LEU 55 far 0 100 0 - 6.5-6.9 H ILE 28 - HB3 LEU 55 far 0 84 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 1679 from cnoeabs.peaks (8.44, 1.74, 25.56 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 55 + HG LEU 55 OK 100 100 100 100 2.0-2.2 6705=100, 6707/2.1=81...(13) H TRP 48 - HG12 ILE 23 far 0 56 0 - 4.9-5.3 H ALA 22 - HG12 ILE 23 far 0 74 0 - 7.5-7.6 H THR 74 - HG12 ILE 23 far 0 53 0 - 8.1-8.5 H LEU 55 - HG12 ILE 23 far 0 80 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 1680 from cnoeabs.peaks (3.71, 1.74, 25.56 ppm; 4.44 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 55 + HG LEU 55 OK 100 100 100 100 3.4-3.6 4.3=100 HA GLN 50 - HG12 ILE 23 far 0 77 0 - 7.9-8.1 HA GLN 50 - HG LEU 55 far 0 99 0 - 8.0-8.2 HA GLU 63 - HG LEU 55 far 0 70 0 - 8.5-9.1 HB3 SER 38 - HG12 ILE 23 far 0 78 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 1681 from cnoeabs.peaks (1.60, 1.74, 25.56 ppm; 4.79 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 55 + HG LEU 55 OK 100 100 100 100 2.4-2.4 3.0=100 HB2 ARG 66 + HG LEU 55 OK 96 96 100 100 3.5-3.9 1673/3.0=42, 9705/2.1=38...(38) HG LEU 36 + HG LEU 55 OK 61 61 100 99 5.0-5.2 ~8248=76, ~8250=68...(12) HD2 LYS 58 - HG LEU 55 far 5 95 5 - 5.3-6.5 HG13 ILE 77 - HG12 ILE 23 far 0 53 0 - 5.9-6.1 HB2 GLN 50 - HG12 ILE 23 far 0 67 0 - 6.3-6.7 HB3 LYS 13 - HG12 ILE 23 far 0 79 0 - 6.9-8.7 HB2 LEU 70 - HG LEU 55 far 0 100 0 - 7.5-7.9 HB2 GLN 50 - HG LEU 55 far 0 91 0 - 8.2-8.8 QB ALA 62 - HG LEU 55 far 0 81 0 - 8.8-9.0 HB2 LEU 70 - HG12 ILE 23 far 0 80 0 - 8.8-9.2 HG13 ILE 67 - HG LEU 55 far 0 100 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 1682 from cnoeabs.peaks (0.77, 1.74, 25.56 ppm; 3.42 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 100 100 3.0-3.0 3.0=100 QG2 VAL 69 + HG LEU 55 OK 86 99 95 92 3.8-4.0 8450/2.1=47, ~8451=38...(10) QD1 ILE 23 + HG12 ILE 23 OK 73 73 100 100 2.1-2.1 2.1=100 QG2 ILE 23 + HG12 ILE 23 OK 48 48 100 100 3.2-3.2 3.2=100 QD2 LEU 36 - HG LEU 55 far 0 91 0 - 4.1-4.2 HG2 LYS 52 - HG LEU 55 far 0 87 0 - 5.5-6.3 QD1 ILE 67 - HG LEU 55 far 0 73 0 - 6.8-7.3 QG2 VAL 69 - HG12 ILE 23 far 0 77 0 - 7.1-7.4 QD1 ILE 23 - HG LEU 55 far 0 96 0 - 7.1-7.4 HG2 LYS 52 - HG12 ILE 23 far 0 63 0 - 7.7-9.3 QD1 ILE 11 - HG LEU 55 far 0 100 0 - 8.7-10.6 QD2 LEU 36 - HG12 ILE 23 far 0 67 0 - 9.2-9.5 QG2 ILE 23 - HG LEU 55 far 0 70 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 1683 from cnoeabs.peaks (1.74, 1.74, 25.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 55 + HG LEU 55 OK 100 100 - 100 HG12 ILE 23 + HG12 ILE 23 OK 64 64 - 100 Peak 1684 from cnoeabs.peaks (0.43, 1.74, 25.56 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 70 - HG LEU 55 far 0 99 0 - 4.4-4.7 QD1 LEU 55 - HG12 ILE 23 far 0 80 0 - 7.5-7.9 QD1 LEU 70 - HG12 ILE 23 far 0 77 0 - 8.2-8.5 QD2 LEU 15 - HG12 ILE 23 far 0 77 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 1685 from cnoeabs.peaks (0.33, 1.74, 25.56 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 61 - HG LEU 55 far 0 100 0 - 4.4-4.8 QG1 VAL 21 - HG12 ILE 23 far 0 66 0 - 6.9-7.1 QD2 LEU 55 - HG12 ILE 23 far 0 80 0 - 7.6-7.9 QG2 VAL 76 - HG12 ILE 23 far 0 44 0 - 7.9-8.2 HB2 LYS 58 - HG LEU 55 far 0 92 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1686 from cnoeabs.peaks (8.54, 1.74, 25.56 ppm; 5.18 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 56 + HG LEU 55 OK 100 100 100 100 3.7-4.1 6719=100, 6715/6705=95...(12) H ILE 67 - HG LEU 55 far 0 100 0 - 7.4-7.8 H VAL 14 - HG12 ILE 23 far 0 80 0 - 7.9-8.2 H ASP 46 - HG12 ILE 23 far 0 53 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 1687 from cnoeabs.peaks (8.44, 0.43, 25.67 ppm; 3.83 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 55 + QD1 LEU 55 OK 100 100 100 100 3.6-3.8 6706=96, 6705/2.1=83...(15) H LEU 55 - QD1 LEU 70 far 0 85 0 - 5.3-5.6 H THR 74 - QD1 LEU 70 far 0 57 0 - 6.5-6.7 H TRP 48 - QD1 LEU 70 far 0 60 0 - 7.6-8.1 H THR 74 - QD1 LEU 55 far 0 75 0 - 8.4-8.7 H TRP 48 - QD1 LEU 55 far 0 79 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 1688 from cnoeabs.peaks (3.71, 0.43, 25.67 ppm; 4.39 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 55 + QD1 LEU 55 OK 100 100 100 100 3.8-3.9 3.9=100 HA GLU 63 - QD1 LEU 70 far 0 52 0 - 5.5-6.0 HA GLU 63 - QD1 LEU 55 far 0 70 0 - 6.0-6.3 HA LEU 55 - QD1 LEU 70 far 0 85 0 - 6.5-6.9 HA GLN 50 - QD1 LEU 70 far 0 83 0 - 7.8-8.2 HA GLN 50 - QD1 LEU 55 far 0 99 0 - 8.3-8.6 HB2 SER 34 - QD1 LEU 55 far 0 73 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 1689 from cnoeabs.peaks (1.60, 0.43, 25.67 ppm; 3.01 A): 4 out of 20 assignments used, quality = 1.00: * HB2 LEU 55 + QD1 LEU 55 OK 98 100 100 98 2.4-2.5 3.1=88, 6703/1687=31...(18) HB2 ARG 66 + QD1 LEU 55 OK 93 96 100 96 1.9-2.1 1.8/1691=22, 3.0/9495=22...(33) HB2 LEU 70 + QD1 LEU 70 OK 84 85 100 99 2.5-2.6 3.1=94, 2.9/2200=34...(12) HB2 ARG 66 + QD1 LEU 70 OK 62 78 100 80 2.6-3.3 3.0/8421=19, 2.9/9710=18...(15) HB2 LEU 55 - QD1 LEU 70 far 0 85 0 - 4.0-4.5 HG13 ILE 67 - QD1 LEU 70 far 0 84 0 - 4.6-5.0 HG LEU 36 - QD1 LEU 55 far 0 61 0 - 4.6-5.0 HD2 LYS 58 - QD1 LEU 55 far 0 95 0 - 5.2-6.0 HB2 LEU 70 - QD1 LEU 55 far 0 100 0 - 5.5-6.0 QB ALA 62 - QD1 LEU 55 far 0 81 0 - 6.0-6.2 HG13 ILE 67 - QD1 LEU 55 far 0 100 0 - 6.3-6.6 HB ILE 11 - QD1 LEU 55 far 0 82 0 - 7.4-7.9 QB ALA 62 - QD1 LEU 70 far 0 62 0 - 7.5-7.8 HD2 LYS 58 - QD1 LEU 70 far 0 76 0 - 8.4-9.6 HB ILE 28 - QD1 LEU 55 far 0 96 0 - 8.5-9.1 HB2 GLN 50 - QD1 LEU 55 far 0 91 0 - 8.6-9.1 HG LEU 36 - QD1 LEU 70 far 0 46 0 - 8.6-9.0 HB2 GLN 50 - QD1 LEU 70 far 0 72 0 - 8.9-9.1 HB3 LYS 13 - QD1 LEU 55 far 0 100 0 - 9.0-10.5 HG13 ILE 77 - QD1 LEU 70 far 0 57 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 1690 from cnoeabs.peaks (0.77, 0.43, 25.67 ppm; 2.77 A): 6 out of 17 assignments used, quality = 1.00: * HB3 LEU 55 + QD1 LEU 55 OK 95 100 100 95 2.1-2.3 3.1=69, 1698/2.1=29...(22) QG2 VAL 69 + QD1 LEU 55 OK 94 99 100 95 1.8-1.9 8450=53, 2.1/8451=49...(21) QG2 VAL 69 + QD1 LEU 70 OK 77 82 100 94 3.2-3.4 11285/2.1=54...(18) QD2 LEU 36 + QD1 LEU 55 OK 77 91 100 85 2.9-3.3 8248/2.1=51, ~8250=22...(14) QD1 ILE 67 + QD1 LEU 70 OK 49 56 100 89 2.5-2.6 8429=37, 2133/8426=23...(18) HG2 LYS 52 + QD1 LEU 70 OK 36 68 55 96 1.9-4.1 1.8/10433=28...(22) HG2 LYS 52 - QD1 LEU 55 far 0 87 0 - 4.6-6.6 QD1 ILE 67 - QD1 LEU 55 far 0 73 0 - 4.7-5.1 HB3 LEU 55 - QD1 LEU 70 far 0 85 0 - 5.0-5.7 QD1 ILE 23 - QD1 LEU 70 far 0 78 0 - 5.9-6.2 QD1 ILE 11 - QD1 LEU 55 far 0 100 0 - 6.2-7.9 QD1 ILE 23 - QD1 LEU 55 far 0 96 0 - 6.2-6.5 QD2 LEU 36 - QD1 LEU 70 far 0 72 0 - 6.6-7.0 QG2 ILE 23 - QD1 LEU 70 far 0 52 0 - 8.0-8.2 QG2 ILE 23 - QD1 LEU 55 far 0 70 0 - 8.1-8.4 QG2 ILE 28 - QD1 LEU 55 far 0 98 0 - 8.8-9.3 QD1 ILE 11 - QD1 LEU 70 far 0 85 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (1.74, 0.43, 25.67 ppm; 3.17 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 ARG 66 + QD1 LEU 55 OK 77 79 100 97 2.8-3.4 3.0/9495=24, 2.9/9710=23...(32) HB VAL 25 + QD1 LEU 55 OK 47 65 90 79 3.2-3.9 8150/2.1=25, ~8947=23...(15) HB3 ARG 66 - QD1 LEU 70 far 9 60 15 - 2.4-4.5 HG LEU 55 - QD1 LEU 70 far 0 85 0 - 4.4-4.7 HB3 LEU 36 - QD1 LEU 55 far 0 100 0 - 4.8-5.2 HB VAL 25 - QD1 LEU 70 far 0 49 0 - 6.6-7.0 HG12 ILE 23 - QD1 LEU 55 far 0 88 0 - 7.5-7.9 HB ILE 23 - QD1 LEU 55 far 0 75 0 - 8.0-8.3 HG12 ILE 23 - QD1 LEU 70 far 0 69 0 - 8.2-8.5 HB ILE 23 - QD1 LEU 70 far 0 57 0 - 8.6-8.8 HB3 LEU 36 - QD1 LEU 70 far 0 85 0 - 9.0-9.3 HB3 PRO 35 - QD1 LEU 55 far 0 98 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1692 from cnoeabs.peaks (0.43, 0.43, 25.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + QD1 LEU 55 OK 100 100 - 100 QD1 LEU 70 + QD1 LEU 70 OK 83 83 - 100 Peak 1693 from cnoeabs.peaks (0.33, 0.43, 25.67 ppm; 2.60 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 55 + QD1 LEU 55 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 61 + QD1 LEU 55 OK 83 100 100 84 2.9-3.2 3.3/9511=15, 1668/3.1=11...(26) QG2 ILE 61 - QD1 LEU 70 far 0 84 0 - 4.9-5.8 QD2 LEU 55 - QD1 LEU 70 far 0 85 0 - 5.2-5.5 HB2 LYS 58 - QD1 LEU 55 far 0 92 0 - 7.3-8.1 QG2 VAL 76 - QD1 LEU 70 far 0 47 0 - 9.5-9.6 QG2 VAL 76 - QD1 LEU 55 far 0 63 0 - 9.7-9.8 Violated in 0 structures by 0.00 A. Peak 1694 from cnoeabs.peaks (8.54, 0.43, 25.67 ppm; 4.38 A increased from 4.13 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 56 + QD1 LEU 55 OK 100 100 100 100 4.4-4.6 4.7=81, 6719/2.1=79...(15) H ILE 67 + QD1 LEU 55 OK 97 100 100 97 4.7-4.8 9751=48, 3.6/9495=38...(12) H ILE 67 + QD1 LEU 70 OK 84 84 100 100 3.7-4.2 3.0/8426=75...(21) H GLU 56 - QD1 LEU 70 far 0 85 0 - 5.0-5.4 H ILE 28 - QD1 LEU 55 far 0 84 0 - 7.1-7.6 H SER 9 - QD1 LEU 55 far 0 61 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 1695 from cnoeabs.peaks (8.44, 0.33, 21.38 ppm; 3.71 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.4-2.9 6707=100, 6705/2.1=80...(16) H ASN 78 - QG2 VAL 76 far 0 60 0 - 5.2-5.2 H THR 74 - QG2 VAL 76 far 0 40 0 - 5.5-5.7 H ALA 22 - QG2 VAL 76 far 0 58 0 - 8.3-8.7 H ASP 82 - QG2 VAL 76 far 0 54 0 - 8.3-8.6 H TRP 48 - QG2 VAL 76 far 0 43 0 - 9.2-9.4 H TRP 48 - QD2 LEU 55 far 0 79 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (3.71, 0.33, 21.38 ppm; 2.98 A): 1 out of 7 assignments used, quality = 0.99: * HA LEU 55 + QD2 LEU 55 OK 99 100 100 99 2.0-2.2 1659=50, 3.0/6707=40...(25) HA GLN 96 - QG2 VAL 76 far 0 59 0 - 6.1-6.6 HA GLN 50 - QD2 LEU 55 far 0 99 0 - 7.7-8.2 HB2 SER 34 - QD2 LEU 55 far 0 73 0 - 7.9-9.8 HA GLU 63 - QD2 LEU 55 far 0 70 0 - 8.0-8.2 HB3 SER 38 - QD2 LEU 55 far 0 100 0 - 8.6-8.8 HD2 PRO 35 - QD2 LEU 55 far 0 98 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 1697 from cnoeabs.peaks (1.60, 0.33, 21.38 ppm; 3.53 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LEU 55 + QD2 LEU 55 OK 100 100 100 100 3.2-3.2 3.1=100 HD2 LYS 58 + QD2 LEU 55 OK 93 95 100 98 3.1-3.9 10871/8250=44...(15) HG LEU 36 + QD2 LEU 55 OK 60 61 100 98 2.4-2.5 2.1/8248=81, 2.1/8250=68...(11) HB2 ARG 66 - QD2 LEU 55 far 0 96 0 - 4.2-4.5 HG13 ILE 77 - QG2 VAL 76 far 0 40 0 - 4.9-5.0 QB ALA 62 - QD2 LEU 55 far 0 81 0 - 7.0-7.2 HB2 GLN 50 - QD2 LEU 55 far 0 91 0 - 7.7-8.1 HB ILE 11 - QD2 LEU 55 far 0 82 0 - 7.7-7.8 HB3 LYS 13 - QG2 VAL 76 far 0 63 0 - 7.9-8.3 HB2 LEU 70 - QD2 LEU 55 far 0 100 0 - 7.9-8.3 HB3 LYS 13 - QD2 LEU 55 far 0 100 0 - 8.6-10.1 HB ILE 28 - QD2 LEU 55 far 0 96 0 - 8.6-8.9 HG13 ILE 67 - QD2 LEU 55 far 0 100 0 - 8.7-9.1 HB ILE 11 - QG2 VAL 76 far 0 45 0 - 9.0-9.2 HB2 LEU 70 - QG2 VAL 76 far 0 63 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (0.77, 0.33, 21.38 ppm; 2.85 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 55 + QD2 LEU 55 OK 96 100 100 96 2.4-2.4 3.1=74, 3.0/1696=43...(17) QD2 LEU 36 + QD2 LEU 55 OK 90 91 100 99 1.7-1.7 8248=87, 2.1/8250=45...(18) QG2 VAL 69 - QD2 LEU 55 far 10 99 10 - 3.4-3.7 QG2 ILE 23 - QG2 VAL 76 far 0 37 0 - 4.5-4.7 QD1 ILE 23 - QG2 VAL 76 far 0 57 0 - 6.0-6.2 QD1 ILE 11 - QD2 LEU 55 far 0 100 0 - 6.0-7.7 HG2 LYS 52 - QD2 LEU 55 far 0 87 0 - 6.6-7.2 QD1 ILE 23 - QD2 LEU 55 far 0 96 0 - 6.8-7.2 QD1 ILE 67 - QD2 LEU 55 far 0 73 0 - 6.9-7.3 QG2 VAL 69 - QG2 VAL 76 far 0 60 0 - 8.0-8.1 QG2 ILE 90 - QG2 VAL 76 far 0 59 0 - 8.4-9.5 QG2 ILE 23 - QD2 LEU 55 far 0 70 0 - 8.6-8.9 QG2 ILE 28 - QD2 LEU 55 far 0 98 0 - 8.8-9.0 QD1 ILE 11 - QG2 VAL 76 far 0 63 0 - 9.2-9.5 QD2 LEU 109 - QG2 VAL 76 far 0 57 0 - 9.9-16.7 QG1 VAL 29 - QD2 LEU 55 far 0 95 0 - 10.0-10.1 Violated in 0 structures by 0.00 A. Peak 1699 from cnoeabs.peaks (1.74, 0.33, 21.38 ppm; 3.08 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 36 + QD2 LEU 55 OK 83 100 100 83 3.1-3.3 1052/8248=51...(8) HB VAL 25 + QD2 LEU 55 OK 55 65 100 84 3.1-3.2 2.1/8947=38, 8150=25...(11) HB3 ARG 66 - QD2 LEU 55 far 0 79 0 - 4.8-5.8 HB ILE 23 - QG2 VAL 76 far 0 40 0 - 5.8-6.2 HG12 ILE 23 - QD2 LEU 55 far 0 88 0 - 7.6-7.9 HG12 ILE 23 - QG2 VAL 76 far 0 49 0 - 7.9-8.2 HB3 PRO 35 - QD2 LEU 55 far 0 98 0 - 8.0-8.2 HB2 GLN 96 - QG2 VAL 76 far 0 53 0 - 8.4-8.9 HB ILE 23 - QD2 LEU 55 far 0 75 0 - 8.4-8.7 HB VAL 25 - QG2 VAL 76 far 0 34 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1700 from cnoeabs.peaks (0.43, 0.33, 21.38 ppm; 2.75 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 55 + QD2 LEU 55 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 70 - QD2 LEU 55 far 0 99 0 - 5.2-5.5 QD2 LEU 15 - QG2 VAL 76 far 0 60 0 - 8.3-8.6 QD1 LEU 70 - QG2 VAL 76 far 0 61 0 - 9.5-9.6 QD1 LEU 55 - QG2 VAL 76 far 0 63 0 - 9.7-9.8 Violated in 0 structures by 0.00 A. Peak 1701 from cnoeabs.peaks (0.33, 0.33, 21.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 QG2 VAL 76 + QG2 VAL 76 OK 33 33 - 100 Peak 1702 from cnoeabs.peaks (8.54, 0.33, 21.38 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 56 + QD2 LEU 55 OK 100 100 100 100 4.3-4.5 4.7=100 H VAL 14 + QG2 VAL 76 OK 50 63 100 80 5.2-5.5 352/10854=47...(5) H ILE 28 - QD2 LEU 55 far 0 84 0 - 6.9-7.1 H ILE 67 - QD2 LEU 55 far 0 100 0 - 7.1-7.3 H SER 9 - QD2 LEU 55 far 0 61 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 1703 from cnoeabs.peaks (8.54, 3.54, 58.74 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 56 + HA GLU 56 OK 100 100 100 100 2.8-2.8 3.0=100 H ILE 67 - HA GLU 56 far 0 100 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 1704 from cnoeabs.peaks (3.54, 3.54, 58.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 56 + HA GLU 56 OK 100 100 - 100 Peak 1705 from cnoeabs.peaks (1.91, 3.54, 58.74 ppm; 3.12 A increased from 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 56 + HA GLU 56 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLU 56 + HA GLU 56 OK 96 96 100 100 2.3-3.7 1734=62, 1.8/1727=53...(17) HB3 GLU 63 - HA GLU 56 far 0 79 0 - 9.1-9.9 HB3 LEU 70 - HA GLU 56 far 0 68 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 1706 from cnoeabs.peaks (1.83, 3.54, 58.74 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 56 + HA GLU 56 OK 100 100 100 100 2.5-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1707 from cnoeabs.peaks (2.38, 3.54, 58.74 ppm; 3.71 A increased from 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 56 + HA GLU 56 OK 100 100 100 100 2.3-3.7 1727=100, 1.8/1734=76...(17) HG2 GLU 54 - HA GLU 56 far 0 61 0 - 9.7-9.7 Violated in 0 structures by 0.00 A. Peak 1708 from cnoeabs.peaks (1.90, 3.54, 58.74 ppm; 3.12 A increased from 2.93 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 56 + HA GLU 56 OK 100 100 100 100 2.3-3.7 1734=64, 1.8/1727=53...(17) HB2 GLU 56 + HA GLU 56 OK 96 96 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1709 from cnoeabs.peaks (6.98, 3.54, 58.74 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 57 + HA GLU 56 OK 100 100 100 100 3.5-3.5 3.6=100 H LYS 58 + HA GLU 56 OK 54 73 100 73 4.0-4.2 9560=48, 9577/3.0=34...(5) H ILE 61 - HA GLU 56 far 0 100 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 1710 from cnoeabs.peaks (4.10, 1.91, 28.82 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 53 + HB2 GLU 56 OK 100 100 100 100 2.2-2.5 1718/1.8=76...(10) HA LYS 58 - HB2 GLU 56 far 0 100 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 1711 from cnoeabs.peaks (8.54, 1.91, 28.82 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 56 + HB2 GLU 56 OK 100 100 100 100 2.3-2.6 4.0=74, 6724/1.8=73...(15) H ILE 67 - HB2 GLU 56 far 0 100 0 - 9.5-10.3 H VAL 14 - HB3 GLN 96 far 0 36 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1712 from cnoeabs.peaks (3.54, 1.91, 28.82 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 56 + HB2 GLU 56 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 67 - HB2 GLU 56 far 0 94 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (1.91, 1.91, 28.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 56 + HB2 GLU 56 OK 100 100 - 100 Peak 1714 from cnoeabs.peaks (1.83, 1.91, 28.82 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 56 + HB2 GLU 56 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1715 from cnoeabs.peaks (2.38, 1.91, 28.82 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 56 + HB2 GLU 56 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLU 54 - HB2 GLU 56 far 0 61 0 - 8.4-8.5 HB2 PRO 100 - HB3 GLN 96 far 0 32 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 1716 from cnoeabs.peaks (1.90, 1.91, 28.82 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HB2 GLU 56 + HB2 GLU 56 OK 96 96 - 100 HB3 GLN 96 + HB3 GLN 96 OK 27 27 - 100 Reference assignment not found: HG3 GLU 56 - HB2 GLU 56 Peak 1717 from cnoeabs.peaks (6.98, 1.91, 28.82 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 57 + HB2 GLU 56 OK 100 100 100 100 2.9-3.0 6735=100, 6736/1.8=82...(9) H LYS 58 - HB2 GLU 56 far 0 73 0 - 5.1-5.3 H ILE 61 - HB2 GLU 56 far 0 100 0 - 8.5-9.0 HZ3 TRP 48 - HB2 GLU 56 far 0 59 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 1718 from cnoeabs.peaks (4.10, 1.83, 28.82 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 53 + HB3 GLU 56 OK 100 100 100 100 3.8-4.2 1710/1.8=77, 1601=56...(9) HA LYS 58 - HB3 GLU 56 far 0 100 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 1719 from cnoeabs.peaks (8.54, 1.83, 28.82 ppm; 3.75 A increased from 3.53 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 56 + HB3 GLU 56 OK 100 100 100 100 3.6-3.6 6724=100, 1711/1.8=77...(11) H ILE 67 - HB3 GLU 56 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (3.54, 1.83, 28.82 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 56 + HB3 GLU 56 OK 100 100 100 100 2.5-2.6 3.0=100 HA ILE 67 - HB3 GLU 56 far 0 94 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1721 from cnoeabs.peaks (1.91, 1.83, 28.82 ppm; 2.66 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 56 + HB3 GLU 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 56 + HB3 GLU 56 OK 94 96 100 98 2.8-2.9 3.0=69, 1.8/1729=57...(12) Violated in 0 structures by 0.00 A. Peak 1722 from cnoeabs.peaks (1.83, 1.83, 28.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 56 + HB3 GLU 56 OK 100 100 - 100 Peak 1723 from cnoeabs.peaks (2.38, 1.83, 28.82 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 56 + HB3 GLU 56 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1724 from cnoeabs.peaks (1.90, 1.83, 28.82 ppm; 2.66 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 56 + HB3 GLU 56 OK 98 100 100 98 2.8-2.9 1736=72, 1.8/1729=57...(12) HB2 GLU 56 + HB3 GLU 56 OK 96 96 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1725 from cnoeabs.peaks (6.98, 1.83, 28.82 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 57 + HB3 GLU 56 OK 100 100 100 100 3.7-3.9 6736=100, 6735/1.8=92...(8) H LYS 58 - HB3 GLU 56 far 0 73 0 - 5.4-5.6 H ILE 61 - HB3 GLU 56 far 0 100 0 - 8.0-8.5 HZ3 TRP 48 - HB3 GLU 56 far 0 59 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1726 from cnoeabs.peaks (8.54, 2.38, 37.44 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 56 + HG2 GLU 56 OK 100 100 100 100 2.4-3.0 6725=100, 1733/1.8=70...(15) H ILE 67 - HG2 GLU 56 far 0 100 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (3.54, 2.38, 37.44 ppm; 3.68 A increased from 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 56 + HG2 GLU 56 OK 100 100 100 100 2.3-3.7 1707=97, 1734/1.8=75...(17) HA ILE 67 - HG2 GLU 56 far 0 94 0 - 7.0-8.5 HA TRP 48 - HG2 GLU 56 far 0 65 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1728 from cnoeabs.peaks (1.91, 2.38, 37.44 ppm; 2.62 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 56 + HG2 GLU 56 OK 98 100 100 98 2.2-2.9 3.0=66, 1.8/1729=55...(15) HG3 GLU 56 + HG2 GLU 56 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 LEU 70 - HG2 GLU 56 far 0 68 0 - 7.7-8.4 HB3 GLU 63 - HG2 GLU 56 far 0 79 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (1.83, 2.38, 37.44 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 56 + HG2 GLU 56 OK 100 100 100 100 2.7-2.9 3.0=89, 1736/1.8=64...(15) HB ILE 67 - HG2 GLU 56 far 0 91 0 - 8.6-10.5 Violated in 2 structures by 0.00 A. Peak 1730 from cnoeabs.peaks (2.38, 2.38, 37.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 56 + HG2 GLU 56 OK 100 100 - 100 Peak 1731 from cnoeabs.peaks (1.90, 2.38, 37.44 ppm; 2.62 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 56 + HG2 GLU 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 56 + HG2 GLU 56 OK 95 96 100 98 2.2-2.9 3.0=66, 1.8/1729=55...(15) Violated in 0 structures by 0.00 A. Peak 1732 from cnoeabs.peaks (6.98, 2.38, 37.44 ppm; 5.06 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 57 + HG2 GLU 56 OK 100 100 100 100 4.6-4.8 6737=100, 6733/6725=93...(9) H LYS 58 - HG2 GLU 56 far 0 73 0 - 5.9-6.8 HZ3 TRP 48 - HG2 GLU 56 far 0 59 0 - 7.6-9.8 H ILE 61 - HG2 GLU 56 far 0 100 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 1733 from cnoeabs.peaks (8.54, 1.90, 37.44 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 56 + HG3 GLU 56 OK 100 100 100 100 2.6-3.0 6725/1.8=80, 3.0/1734=54...(14) H ILE 67 - HG3 GLU 56 far 0 100 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. Peak 1734 from cnoeabs.peaks (3.54, 1.90, 37.44 ppm; 3.61 A increased from 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 56 + HG3 GLU 56 OK 100 100 100 100 2.3-3.7 4.0=73, 1727/1.8=71...(18) HA ILE 67 - HG3 GLU 56 far 0 94 0 - 7.0-8.6 HA TRP 48 - HG3 GLU 56 far 0 65 0 - 9.3-10.9 Violated in 3 structures by 0.01 A. Peak 1735 from cnoeabs.peaks (1.91, 1.90, 37.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HG3 GLU 56 + HG3 GLU 56 OK 96 96 - 100 Reference assignment not found: HB2 GLU 56 - HG3 GLU 56 Peak 1736 from cnoeabs.peaks (1.83, 1.90, 37.44 ppm; 2.97 A increased from 2.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 56 + HG3 GLU 56 OK 100 100 100 100 2.8-2.9 3.0=96, 1729/1.8=70...(13) HB ILE 67 - HG3 GLU 56 far 0 91 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 1737 from cnoeabs.peaks (2.38, 1.90, 37.44 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 56 + HG3 GLU 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 54 - HG3 GLU 56 far 0 61 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1738 from cnoeabs.peaks (1.90, 1.90, 37.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 56 + HG3 GLU 56 OK 100 100 - 100 Peak 1739 from cnoeabs.peaks (6.98, 1.90, 37.44 ppm; 5.01 A increased from 4.72 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 57 + HG3 GLU 56 OK 100 100 100 100 4.6-4.8 6735/3.0=91...(9) H LYS 58 - HG3 GLU 56 far 0 73 0 - 5.9-6.8 HZ3 TRP 48 - HG3 GLU 56 far 0 59 0 - 7.4-10.0 H ILE 61 - HG3 GLU 56 far 0 100 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 1740 from cnoeabs.peaks (6.98, 4.17, 52.42 ppm; 2.96 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 57 + HA ALA 57 OK 100 100 100 100 2.8-2.8 3.0=100 H LYS 58 + HA ALA 57 OK 58 73 100 79 3.5-3.5 3.6=57, 6745/2.1=46, ~1754=8 H ILE 61 - HA ALA 62 far 0 48 0 - 5.2-5.3 H ILE 61 - HA ALA 57 far 0 100 0 - 7.6-8.2 HD2 HIS 7 - HA ALA 62 far 0 38 0 - 9.0-14.9 H LYS 58 - HA ALA 62 far 0 29 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (4.17, 4.17, 52.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 57 + HA ALA 57 OK 100 100 - 100 HA ALA 62 + HA ALA 62 OK 41 41 - 100 Peak 1742 from cnoeabs.peaks (1.44, 4.17, 52.42 ppm; 2.41 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 57 + HA ALA 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 58 - HA ALA 57 far 0 85 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 1743 from cnoeabs.peaks (7.01, 4.17, 52.42 ppm; 3.21 A): 2 out of 6 assignments used, quality = 0.98: * H LYS 58 + HA ALA 57 OK 93 100 100 93 3.5-3.5 3.6=73, 6745/2.1=72, ~1754=10 H ALA 57 + HA ALA 57 OK 73 73 100 100 2.8-2.8 3.0=100 H ILE 61 - HA ALA 62 far 0 24 0 - 5.2-5.3 QD PHE 10 - HA ALA 62 far 0 29 0 - 7.2-7.5 H ILE 61 - HA ALA 57 far 0 61 0 - 7.6-8.2 H LYS 58 - HA ALA 62 far 0 48 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 1744 from cnoeabs.peaks (4.04, 1.44, 18.21 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.98: * HA GLU 54 + QB ALA 57 OK 98 100 100 98 2.8-2.8 1622=90, 1621/6740=38...(8) Violated in 0 structures by 0.00 A. Peak 1745 from cnoeabs.peaks (6.98, 1.44, 18.21 ppm; 2.50 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 57 + QB ALA 57 OK 100 100 100 100 2.0-2.1 6740=100, 1621/1744=22...(13) H LYS 58 + QB ALA 57 OK 58 73 100 79 2.7-2.9 6745=49, 6749/9543=19...(9) H ILE 61 - QB ALA 57 far 0 100 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 1746 from cnoeabs.peaks (4.17, 1.44, 18.21 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 57 + QB ALA 57 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1747 from cnoeabs.peaks (1.44, 1.44, 18.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 57 + QB ALA 57 OK 100 100 - 100 Peak 1748 from cnoeabs.peaks (7.01, 1.44, 18.21 ppm; 2.74 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 58 + QB ALA 57 OK 97 100 100 97 2.7-2.9 6745=87, 6749/9543=32...(9) H ALA 57 + QB ALA 57 OK 70 73 100 95 2.0-2.1 2.9=81, 4.5/6745=21...(13) H ILE 61 - QB ALA 57 far 0 61 0 - 6.9-7.3 QD PHE 10 - QB ALA 57 far 0 73 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 1749 from cnoeabs.peaks (7.01, 4.11, 53.53 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 58 + HA LYS 58 OK 100 100 100 100 2.9-2.9 3.0=100 H ILE 61 - HA LYS 58 far 0 61 0 - 4.8-5.1 H ALA 57 - HA LYS 58 far 0 73 0 - 5.2-5.3 QD PHE 10 - HA LYS 58 far 0 73 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 1750 from cnoeabs.peaks (4.11, 4.11, 53.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 58 + HA LYS 58 OK 100 100 - 100 Peak 1751 from cnoeabs.peaks (0.35, 4.11, 53.53 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.3-2.5 3.0=100 QG2 ILE 61 - HA LYS 58 far 0 98 0 - 6.2-6.6 QD2 LEU 55 - HA LYS 58 far 0 92 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 1752 from cnoeabs.peaks (1.55, 4.11, 53.53 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 58 + HA LYS 58 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 36 - HA LYS 58 far 0 98 0 - 7.8-8.3 QB ALA 62 - HA LYS 58 far 0 88 0 - 9.5-9.7 HB2 ARG 66 - HA LYS 58 far 0 65 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 1753 from cnoeabs.peaks (1.28, 4.11, 53.53 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.5-2.8 4.0=89, 6749/3.0=70...(22) HB ILE 61 - HA LYS 58 far 0 99 0 - 5.1-6.4 Violated in 0 structures by 0.00 A. Peak 1754 from cnoeabs.peaks (1.47, 4.11, 53.53 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 58 + HA LYS 58 OK 100 100 100 100 3.0-3.3 4.0=67, 1.8/1753=63...(22) QB ALA 57 + HA LYS 58 OK 81 85 100 95 3.8-3.8 6750/3.0=65, 4.4=52...(8) Violated in 0 structures by 0.00 A. Peak 1755 from cnoeabs.peaks (1.62, 4.11, 53.53 ppm; 4.86 A increased from 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 58 + HA LYS 58 OK 100 100 100 100 4.4-4.8 1805=100, 1807/3.0=98...(21) HB2 LEU 55 - HA LYS 58 far 0 95 0 - 7.9-8.2 HB2 ARG 66 - HA LYS 58 far 0 73 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 1756 from cnoeabs.peaks (1.36, 4.11, 53.53 ppm; 4.51 A increased from 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 58 + HA LYS 58 OK 100 100 100 100 4.3-4.7 1816=100, 6752/3.0=76...(23) Violated in 1 structures by 0.01 A. Peak 1760 from cnoeabs.peaks (7.01, 0.35, 29.76 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 58 + HB2 LYS 58 OK 100 100 100 100 3.6-3.7 3.7=100 H ILE 61 + HB2 LYS 58 OK 60 61 100 98 3.4-4.2 9618/1.8=56, 4.6/8413=48...(12) H ALA 57 - HB2 LYS 58 far 0 73 0 - 6.2-6.3 QD PHE 10 - HB2 LYS 58 far 0 73 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 1761 from cnoeabs.peaks (4.11, 0.35, 29.76 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.3-2.5 3.0=100 HB THR 8 - HB2 LYS 58 far 0 85 0 - 8.5-9.1 HA ASP 53 - HB2 LYS 58 far 0 100 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1762 from cnoeabs.peaks (0.35, 0.35, 29.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 58 + HB2 LYS 58 OK 100 100 - 100 Peak 1763 from cnoeabs.peaks (1.55, 0.35, 29.76 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 36 - HB2 LYS 58 far 0 98 0 - 6.5-7.0 QB ALA 62 - HB2 LYS 58 far 0 88 0 - 8.0-8.6 HB2 ARG 66 - HB2 LYS 58 far 0 65 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1764 from cnoeabs.peaks (1.28, 0.35, 29.76 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.9-2.9 3.0=100 HB ILE 61 + HB2 LYS 58 OK 79 99 80 100 4.0-5.7 3.2/9547=60, 9619/1.8=49...(21) Violated in 0 structures by 0.00 A. Peak 1765 from cnoeabs.peaks (1.47, 0.35, 29.76 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.2-2.2 3.0=100 QB ALA 57 - HB2 LYS 58 far 4 85 5 - 4.9-5.3 HB2 LEU 36 - HB2 LYS 58 far 0 99 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 1766 from cnoeabs.peaks (1.62, 0.35, 29.76 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 3.0-3.5 3.6=100 HB2 LEU 55 - HB2 LYS 58 far 0 95 0 - 7.3-8.0 HB2 ARG 66 - HB2 LYS 58 far 0 73 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1767 from cnoeabs.peaks (1.36, 0.35, 29.76 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.9-3.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 1771 from cnoeabs.peaks (7.01, 1.55, 29.76 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: * H LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.4-2.8 3.7=100 H ILE 61 + HB3 LYS 58 OK 59 61 100 96 3.2-3.6 9618=60, 6804/8377=40...(12) HE21 GLN 81 - HB3 LYS 84 poor 19 44 75 58 2.5-5.3 10979/1.8=21, ~10978=15...(8) H ALA 57 - HB3 LYS 58 far 0 73 0 - 4.8-5.3 QD PHE 10 - HB2 ARG 66 far 0 40 0 - 5.9-6.6 H ALA 57 - HB2 ARG 66 far 0 40 0 - 6.7-7.3 QD PHE 10 - HB3 LYS 58 far 0 73 0 - 6.7-7.1 H LYS 58 - HB2 ARG 66 far 0 64 0 - 7.1-7.9 QE PHE 99 - HG13 ILE 77 far 0 32 0 - 7.5-7.8 H ILE 61 - HB2 ARG 66 far 0 32 0 - 7.6-8.4 HE21 GLN 81 - HG13 ILE 77 far 0 58 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 1772 from cnoeabs.peaks (4.11, 1.55, 29.76 ppm; 4.65 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 58 + HB3 LYS 58 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASP 53 - HB2 ARG 66 far 0 64 0 - 7.1-7.9 HA ASP 53 - HB3 LYS 58 far 0 100 0 - 8.5-9.1 HB THR 8 - HB3 LYS 58 far 0 85 0 - 8.8-9.3 HA LYS 58 - HB2 ARG 66 far 0 64 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 1773 from cnoeabs.peaks (0.35, 1.55, 29.76 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 61 + HB2 ARG 66 OK 59 60 100 98 2.8-3.9 8369/2.9=45, 9624/3.0=44...(18) QG2 ILE 61 + HB3 LYS 58 OK 29 98 30 98 4.1-4.5 3.3/8377=48...(22) QD2 LEU 55 - HB2 ARG 66 far 0 54 0 - 4.2-4.5 QD2 LEU 55 - HB3 LYS 58 far 0 92 0 - 4.5-5.2 HB2 LYS 58 - HB2 ARG 66 far 0 64 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1774 from cnoeabs.peaks (1.55, 1.55, 29.76 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 58 + HB3 LYS 58 OK 100 100 - 100 HG13 ILE 77 + HG13 ILE 77 OK 53 53 - 100 HB2 ARG 66 + HB2 ARG 66 OK 35 35 - 100 HB3 LYS 84 + HB3 LYS 84 OK 27 27 - 100 Peak 1775 from cnoeabs.peaks (1.28, 1.55, 29.76 ppm; 3.85 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.7-2.8 3.0=100 HB ILE 61 + HB3 LYS 58 OK 99 99 100 100 2.8-4.2 1941/8377=59...(21) HG2 ARG 66 + HB2 ARG 66 OK 62 62 100 100 2.4-3.0 2.9=100 HB ILE 61 - HB2 ARG 66 far 0 63 0 - 5.4-5.9 HG12 ILE 67 - HB2 ARG 66 far 0 39 0 - 7.0-7.1 HD2 LYS 52 - HB2 ARG 66 far 0 34 0 - 7.3-8.6 HG2 ARG 66 - HB3 LYS 58 far 0 99 0 - 8.4-10.1 HG2 LYS 58 - HB2 ARG 66 far 0 64 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1776 from cnoeabs.peaks (1.47, 1.55, 29.76 ppm; 4.29 A): 5 out of 13 assignments used, quality = 1.00: * HG3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.8-2.9 3.0=100 QB ALA 57 + HB3 LYS 58 OK 84 85 100 99 4.7-4.8 6750/6748=82...(8) HB ILE 77 + HG13 ILE 77 OK 63 63 100 100 2.5-2.5 3.0=100 HG LEU 70 + HB2 ARG 66 OK 29 31 100 93 3.9-4.3 ~9708=25, ~8470=22...(16) QB ALA 47 + HG13 ILE 77 OK 24 31 100 79 4.3-4.6 8304/2.1=53, 2448/1.8=29...(4) HB3 LEU 51 - HB2 ARG 66 far 0 56 0 - 7.4-8.5 QB ALA 57 - HB2 ARG 66 far 0 48 0 - 7.7-8.1 HB3 LEU 51 - HG13 ILE 77 far 0 55 0 - 7.9-8.3 HB2 LEU 36 - HB3 LYS 58 far 0 99 0 - 7.9-8.3 HB2 LEU 36 - HB2 ARG 66 far 0 63 0 - 9.2-9.6 HG3 LYS 58 - HB2 ARG 66 far 0 64 0 - 9.4-10.3 HG2 PRO 43 - HB3 LYS 84 far 0 45 0 - 9.7-11.9 QB ALA 45 - HG13 ILE 77 far 0 63 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1777 from cnoeabs.peaks (1.62, 1.55, 29.76 ppm; 3.48 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-2.6 3.6=88, 1808/3.0=43...(24) HB2 LEU 55 + HB2 ARG 66 OK 54 57 100 96 2.2-2.7 1666/1.8=20, ~1675=15...(36) HB2 LEU 55 - HB3 LYS 58 far 0 95 0 - 5.5-6.3 HG13 ILE 67 - HB2 ARG 66 far 0 51 0 - 5.7-6.0 HB2 LEU 70 - HB2 ARG 66 far 0 58 0 - 6.3-6.9 HD2 LYS 58 - HB2 ARG 66 far 0 64 0 - 6.9-8.2 HB2 ARG 66 - HB3 LYS 58 far 0 73 0 - 7.0-8.2 HB2 LEU 70 - HG13 ILE 77 far 0 58 0 - 9.0-9.4 HB3 PRO 43 - HG13 ILE 77 far 0 53 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 1778 from cnoeabs.peaks (1.36, 1.55, 29.76 ppm; 4.66 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-2.6 3.6=100 HD3 LYS 84 + HB3 LYS 84 OK 47 47 100 100 2.4-4.2 3.8=100 HG3 LYS 84 + HB3 LYS 84 OK 45 45 100 100 2.2-3.0 3.0=100 HB3 LYS 52 - HB2 ARG 66 far 6 37 15 - 4.9-7.2 HG LEU 83 - HB3 LYS 84 far 0 47 0 - 6.6-7.2 HD3 LYS 58 - HB2 ARG 66 far 0 64 0 - 6.7-8.0 QB ALA 64 - HB2 ARG 66 far 0 59 0 - 7.2-7.4 HB2 LYS 88 - HB3 LYS 84 far 0 32 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 1782 from cnoeabs.peaks (7.01, 1.28, 23.86 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.2-2.6 6749=100, 6748/3.0=68...(19) H ALA 57 - HG2 LYS 58 far 11 73 15 - 4.2-4.6 H ILE 61 - HG2 LYS 58 far 0 61 0 - 5.8-6.3 QD PHE 10 - HG2 LYS 58 far 0 73 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 1783 from cnoeabs.peaks (4.11, 1.28, 23.86 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.5-2.8 4.0=100 HA ASP 53 - HG2 LYS 58 far 0 100 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 1784 from cnoeabs.peaks (0.35, 1.28, 23.86 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.9-2.9 3.0=100 QD2 LEU 55 - HG2 LYS 58 far 0 92 0 - 5.1-5.5 QG2 ILE 61 - HG2 LYS 58 far 0 98 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 1785 from cnoeabs.peaks (1.55, 1.28, 23.86 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 36 - HG2 LYS 58 far 0 98 0 - 5.5-5.9 HB2 ARG 66 - HG2 LYS 58 far 0 65 0 - 8.8-9.5 QB ALA 62 - HG2 LYS 58 far 0 88 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 1786 from cnoeabs.peaks (1.28, 1.28, 23.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 Peak 1787 from cnoeabs.peaks (1.47, 1.28, 23.86 ppm; 2.85 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 57 + HG2 LYS 58 OK 76 85 100 89 2.7-3.2 9543=56, 6750/6749=39...(10) HB2 LEU 36 - HG2 LYS 58 far 0 99 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 1788 from cnoeabs.peaks (1.62, 1.28, 23.86 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 55 - HG2 LYS 58 far 0 95 0 - 6.8-7.0 HB2 ARG 66 - HG2 LYS 58 far 0 73 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1789 from cnoeabs.peaks (1.36, 1.28, 23.86 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1790 from cnoeabs.peaks (2.86, 1.28, 23.86 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.3-3.6 1830=100, 1.8/1841=76...(17) Violated in 0 structures by 0.00 A. Peak 1791 from cnoeabs.peaks (3.00, 1.28, 23.86 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 3.2-3.8 3.9=100 HB2 TRP 60 - HG2 LYS 58 far 0 61 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 1793 from cnoeabs.peaks (7.01, 1.47, 23.86 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 58 + HG3 LYS 58 OK 100 100 100 100 3.7-4.0 6749/1.8=93, 6748/3.0=77...(17) H ILE 61 - HG3 LYS 58 far 0 61 0 - 5.5-6.2 HE21 GLN 81 - HG2 PRO 43 far 0 84 0 - 5.6-11.2 H ALA 57 - HG3 LYS 58 far 0 73 0 - 5.9-6.2 QD PHE 10 - HG3 LYS 58 far 0 73 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 1794 from cnoeabs.peaks (4.11, 1.47, 23.86 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 58 + HG3 LYS 58 OK 100 100 100 100 3.0-3.3 4.0=100 HB THR 8 - HG3 LYS 58 far 0 85 0 - 9.2-10.0 HA ASP 53 - HG3 LYS 58 far 0 100 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (0.35, 1.47, 23.86 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.2-2.2 3.0=100 QD2 LEU 55 - HG3 LYS 58 far 0 92 0 - 5.3-5.7 QG2 ILE 61 - HG3 LYS 58 far 0 98 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 1796 from cnoeabs.peaks (1.55, 1.47, 23.86 ppm; 3.43 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.8-2.9 3.0=100 HG3 ARG 44 - HG2 PRO 43 far 0 81 0 - 4.3-7.9 HG2 ARG 44 - HG2 PRO 43 far 0 79 0 - 4.5-8.3 HG LEU 36 - HG3 LYS 58 far 0 98 0 - 5.2-5.7 HB2 ARG 66 - HG3 LYS 58 far 0 65 0 - 9.4-10.3 QB ALA 62 - HG3 LYS 58 far 0 88 0 - 9.5-9.9 HB3 LYS 84 - HG2 PRO 43 far 0 55 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 1797 from cnoeabs.peaks (1.28, 1.47, 23.86 ppm; 3.03 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 HB ILE 61 - HG3 LYS 58 far 0 99 0 - 5.7-7.0 Violated in 0 structures by 0.00 A. Peak 1798 from cnoeabs.peaks (1.47, 1.47, 23.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 58 + HG3 LYS 58 OK 100 100 - 100 HG2 PRO 43 + HG2 PRO 43 OK 85 85 - 100 Peak 1799 from cnoeabs.peaks (1.62, 1.47, 23.86 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PRO 43 + HG2 PRO 43 OK 79 79 100 100 2.3-3.0 2.3=100 HB2 ARG 44 - HG2 PRO 43 far 0 90 0 - 5.7-7.9 HB2 LEU 55 - HG3 LYS 58 far 0 95 0 - 7.7-7.9 HB2 ARG 66 - HG3 LYS 58 far 0 73 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1800 from cnoeabs.peaks (1.36, 1.47, 23.86 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 84 - HG2 PRO 43 far 0 88 0 - 7.6-11.5 HG3 LYS 84 - HG2 PRO 43 far 0 85 0 - 8.7-12.1 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (2.86, 1.47, 23.86 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.7-3.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 1802 from cnoeabs.peaks (3.00, 1.47, 23.86 ppm; 4.51 A): 1 out of 5 assignments used, quality = 1.00: * HE3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.9-3.8 3.9=100 HD2 ARG 44 - HG2 PRO 43 poor 14 55 25 - 4.2-7.8 HD3 ARG 44 - HG2 PRO 43 poor 10 57 40 45 3.6-8.2 6.0/6527=32, 5.4/9251=18 HB2 TRP 60 - HG3 LYS 58 far 0 61 0 - 5.9-6.3 HB3 PHE 41 - HG2 PRO 43 far 0 73 0 - 7.3-9.9 Violated in 0 structures by 0.00 A. Peak 1804 from cnoeabs.peaks (7.01, 1.62, 28.83 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 58 + HD2 LYS 58 OK 100 100 100 100 3.1-4.1 6751=100, 6748/1807=94...(16) H ILE 61 + HD2 LYS 58 OK 31 61 55 91 5.1-5.5 5.0/9396=50...(6) H ALA 57 - HD2 LYS 58 far 4 73 5 - 4.6-6.1 QD PHE 10 - HD2 LYS 58 far 0 73 0 - 5.3-5.9 QD PHE 10 - HG13 ILE 67 far 0 55 0 - 9.0-9.2 H ALA 57 - HB2 GLN 50 far 0 68 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1805 from cnoeabs.peaks (4.11, 1.62, 28.83 ppm; 4.82 A increased from 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 58 + HD2 LYS 58 OK 100 100 100 100 4.4-4.8 3.0/1807=98, 1755=98...(21) HA ASP 53 - HB2 GLN 50 far 0 97 0 - 7.7-7.9 HA ASP 53 - HD2 LYS 58 far 0 100 0 - 7.8-9.5 HB THR 8 - HD2 LYS 58 far 0 85 0 - 8.2-9.6 HA VAL 6 - HD3 LYS 31 far 0 96 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 1806 from cnoeabs.peaks (0.35, 1.62, 28.83 ppm; 3.71 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 3.0-3.5 3.6=100 QD2 LEU 55 + HD2 LYS 58 OK 91 92 100 99 3.1-3.9 1839/3.0=51...(14) QG2 ILE 61 - HD2 LYS 58 far 10 98 10 - 4.2-4.9 QG2 ILE 61 - HG13 ILE 67 far 0 79 0 - 5.7-6.7 QD2 LEU 55 - HB2 GLN 50 far 0 87 0 - 7.7-8.1 QD2 LEU 55 - HG13 ILE 67 far 0 72 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 1807 from cnoeabs.peaks (1.55, 1.62, 28.83 ppm; 2.51 A): 1 out of 9 assignments used, quality = 0.91: * HB3 LYS 58 + HD2 LYS 58 OK 91 100 100 91 2.3-2.6 3.6=33, 3.0/1808=23...(21) HG LEU 36 - HD2 LYS 58 far 0 98 0 - 3.3-4.0 HB2 ARG 66 - HG13 ILE 67 far 0 49 0 - 5.7-6.0 QB ALA 62 - HG13 ILE 67 far 0 69 0 - 5.9-6.0 HB2 ARG 66 - HD2 LYS 58 far 0 65 0 - 6.9-8.2 QB ALA 62 - HD2 LYS 58 far 0 88 0 - 8.1-8.5 QB ALA 73 - HB2 GLN 50 far 0 75 0 - 8.5-8.8 HG2 ARG 44 - HB2 GLN 50 far 0 87 0 - 9.4-11.6 QB ALA 73 - HG13 ILE 67 far 0 61 0 - 9.8-10.0 Violated in 4 structures by 0.01 A. Peak 1808 from cnoeabs.peaks (1.28, 1.62, 28.83 ppm; 2.81 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.5-3.0 3.0=87, 1.8/1809=71...(19) HG12 ILE 67 + HG13 ILE 67 OK 53 53 100 100 1.8-1.8 1.8=100 HG2 ARG 66 - HG13 ILE 67 far 0 81 0 - 3.8-4.3 HB ILE 61 - HD2 LYS 58 far 0 99 0 - 4.4-5.6 HD2 LYS 52 - HB2 GLN 50 far 0 58 0 - 7.7-9.3 HB ILE 61 - HG13 ILE 67 far 0 82 0 - 8.6-9.1 HG2 ARG 66 - HD2 LYS 58 far 0 99 0 - 9.0-10.2 HD2 LYS 52 - HG13 ILE 67 far 0 47 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 1809 from cnoeabs.peaks (1.47, 1.62, 28.83 ppm; 2.62 A): 1 out of 9 assignments used, quality = 0.98: * HG3 LYS 58 + HD2 LYS 58 OK 98 100 100 98 2.4-3.0 3.0=70, 1.8/1808=37...(18) QB ALA 57 - HD2 LYS 58 far 0 85 0 - 4.3-5.4 QB ALA 45 - HB2 GLN 50 far 0 97 0 - 4.8-5.3 HB3 LEU 51 - HB2 GLN 50 far 0 89 0 - 5.3-5.7 QB ALA 47 - HB2 GLN 50 far 0 55 0 - 5.4-5.6 HB2 LEU 36 - HD2 LYS 58 far 0 99 0 - 5.5-6.5 HG LEU 70 - HG13 ILE 67 far 0 44 0 - 6.9-7.2 QB ALA 57 - HB2 GLN 50 far 0 80 0 - 8.2-8.5 HG LEU 70 - HD2 LYS 58 far 0 59 0 - 9.9-11.2 Violated in 1 structures by 0.02 A. Peak 1810 from cnoeabs.peaks (1.62, 1.62, 28.83 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 98 98 - 100 HD2 LYS 31 + HD2 LYS 31 OK 98 98 - 100 HB2 GLN 50 + HB2 GLN 50 OK 97 97 - 100 HG13 ILE 67 + HG13 ILE 67 OK 69 69 - 100 Peak 1811 from cnoeabs.peaks (1.36, 1.62, 28.83 ppm; 2.51 A): 3 out of 6 assignments used, quality = 1.00: * HD3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HD3 LYS 31 OK 94 96 100 97 2.2-2.9 3.0=61, 839/3.6=26...(32) HG3 LYS 31 + HD2 LYS 31 OK 94 96 100 97 2.2-2.9 3.0=61, 839/3.6=26...(32) QB ALA 64 - HG13 ILE 67 far 0 78 0 - 4.2-4.5 HB3 LYS 52 - HB2 GLN 50 far 0 64 0 - 7.0-8.7 HB3 LYS 52 - HG13 ILE 67 far 0 52 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 1812 from cnoeabs.peaks (2.86, 1.62, 28.83 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (3.00, 1.62, 28.83 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ASN 68 - HG13 ILE 67 far 0 84 0 - 6.1-6.2 HB2 TRP 60 - HD2 LYS 58 far 0 61 0 - 6.4-7.6 HB2 ASN 68 - HG13 ILE 67 far 0 84 0 - 6.8-7.1 HB3 PHE 41 - HB2 GLN 50 far 0 81 0 - 8.1-9.5 HD2 ARG 44 - HB2 GLN 50 far 0 62 0 - 9.8-13.4 HE3 LYS 58 - HB2 GLN 50 far 0 97 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1815 from cnoeabs.peaks (7.01, 1.36, 28.83 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.5-4.3 6752=100, 6751/1.8=81...(18) H ALA 57 + HD3 LYS 58 OK 65 73 95 93 4.0-6.2 4.5/6752=48, 9539/3.0=40...(10) H ILE 61 - HD3 LYS 58 far 0 61 0 - 5.2-5.8 QD PHE 10 - HD3 LYS 58 far 0 73 0 - 5.6-6.4 Violated in 0 structures by 0.00 A. Peak 1816 from cnoeabs.peaks (4.11, 1.36, 28.83 ppm; 4.50 A increased from 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 58 + HD3 LYS 58 OK 100 100 100 100 4.3-4.7 1756=99, 3.0/6752=76...(23) HA ASP 53 - HD3 LYS 58 far 0 100 0 - 7.5-9.6 HB THR 8 - HD3 LYS 58 far 0 85 0 - 8.2-10.2 Violated in 1 structures by 0.01 A. Peak 1817 from cnoeabs.peaks (0.35, 1.36, 28.83 ppm; 3.62 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 58 + HD3 LYS 58 OK 99 100 100 99 2.9-3.7 3.6=99 QD2 LEU 55 + HD3 LYS 58 OK 90 92 100 98 3.0-3.8 1839/3.0=49...(13) QG2 ILE 61 - HD3 LYS 58 far 0 98 0 - 4.2-5.1 Violated in 0 structures by 0.00 A. Peak 1818 from cnoeabs.peaks (1.55, 1.36, 28.83 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-2.6 1807/1.8=94, 3.6=89...(28) HG LEU 36 + HD3 LYS 58 OK 92 98 95 100 3.8-4.1 2.1/10873=63...(17) HB2 ARG 66 - HD3 LYS 58 far 0 65 0 - 6.7-8.0 QB ALA 62 - HD3 LYS 58 far 0 88 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 1819 from cnoeabs.peaks (1.28, 1.36, 28.83 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 61 - HD3 LYS 58 far 0 99 0 - 4.3-5.3 HG2 ARG 66 - HD3 LYS 58 far 0 99 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 1820 from cnoeabs.peaks (1.47, 1.36, 28.83 ppm; 3.07 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 57 - HD3 LYS 58 far 0 85 0 - 3.8-5.5 HB2 LEU 36 - HD3 LYS 58 far 0 99 0 - 5.9-6.8 HG LEU 70 - HD3 LYS 58 far 0 59 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1821 from cnoeabs.peaks (1.62, 1.36, 28.83 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 55 - HD3 LYS 58 far 0 95 0 - 4.9-6.2 HB2 ARG 66 - HD3 LYS 58 far 0 73 0 - 6.7-8.0 Violated in 0 structures by 0.00 A. Peak 1822 from cnoeabs.peaks (1.36, 1.36, 28.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 Peak 1823 from cnoeabs.peaks (2.86, 1.36, 28.83 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1824 from cnoeabs.peaks (3.00, 1.36, 28.83 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 TRP 60 - HD3 LYS 58 far 0 61 0 - 6.5-7.9 Violated in 0 structures by 0.00 A. Peak 1826 from cnoeabs.peaks (7.01, 2.86, 42.32 ppm; 5.37 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 58 + HE2 LYS 58 OK 100 100 100 100 4.0-5.1 6753=100, 6749/1830=93...(15) H ALA 57 + HE2 LYS 58 OK 60 73 85 96 4.9-6.6 4.5/6753=58...(7) QD PHE 10 - HE2 LYS 58 far 0 73 0 - 6.3-7.6 H ILE 61 - HE2 LYS 58 far 0 61 0 - 7.4-7.9 QE PHE 99 - HE3 LYS 88 far 0 28 0 - 7.6-11.2 QE PHE 99 - HE2 LYS 88 far 0 31 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (0.35, 2.86, 42.32 ppm; 4.32 A increased from 3.84 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 4.6-4.9 3.0/1830=77, 4.8=73...(19) QD2 LEU 55 + HE2 LYS 58 OK 92 92 100 100 3.9-4.4 1839/1.8=84, 9499=70...(13) QG2 ILE 61 - HE2 LYS 58 far 0 98 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 1829 from cnoeabs.peaks (1.55, 2.86, 42.32 ppm; 3.22 A): 5 out of 10 assignments used, quality = 0.98: HG LEU 36 + HE2 LYS 58 OK 87 98 90 100 2.6-4.0 2.1/8243=52, 9167/1.8=40...(17) HD2 LYS 88 + HE2 LYS 88 OK 38 38 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE2 LYS 88 OK 38 38 100 100 2.4-3.0 3.0=100 HD2 LYS 88 + HE3 LYS 88 OK 35 35 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE3 LYS 88 OK 35 35 100 100 2.3-3.0 3.0=100 ! HB3 LYS 58 - HE2 LYS 58 far 0 100 0 - 4.3-4.5 HB3 LEU 83 - HE3 LYS 88 far 0 57 0 - 5.2-7.9 HB3 LEU 83 - HE2 LYS 88 far 0 61 0 - 6.0-7.9 HB2 ARG 66 - HE2 LYS 58 far 0 65 0 - 8.7-9.2 HB3 LYS 84 - HE2 LYS 88 far 0 34 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1830 from cnoeabs.peaks (1.28, 2.86, 42.32 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.6 1790=70, 1.8/1831=63...(17) HB ILE 61 - HE2 LYS 58 far 0 99 0 - 6.8-7.7 HB3 LYS 98 - HE3 LYS 88 far 0 39 0 - 8.1-11.9 HB3 LYS 98 - HE2 LYS 88 far 0 41 0 - 9.7-11.8 QB ALA 93 - HE3 LYS 88 far 0 36 0 - 9.9-11.6 Violated in 1 structures by 0.01 A. Peak 1831 from cnoeabs.peaks (1.47, 2.86, 42.32 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.7-3.2 1.8/1830=68, 1809/3.0=65...(19) QB ALA 57 - HE2 LYS 58 poor 19 85 30 75 3.6-5.1 9543/1830=39...(9) HB2 LEU 36 - HE2 LYS 58 far 0 99 0 - 5.0-6.6 Violated in 0 structures by 0.00 A. Peak 1832 from cnoeabs.peaks (1.62, 2.86, 42.32 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 55 - HE2 LYS 58 far 0 95 0 - 6.4-7.4 HB2 ARG 66 - HE2 LYS 58 far 0 73 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 1833 from cnoeabs.peaks (1.36, 2.86, 42.32 ppm; 3.22 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 88 + HE3 LYS 88 OK 30 37 80 99 2.6-4.5 4.8=30, 3.0/3443=24...(38) HB2 LYS 88 - HE2 LYS 88 poor 12 40 30 - 3.4-4.6 HG LEU 83 - HE3 LYS 88 far 0 55 0 - 5.4-7.5 HG LEU 83 - HE2 LYS 88 far 0 59 0 - 6.3-7.5 HG3 LYS 84 - HE3 LYS 88 far 0 53 0 - 9.6-13.2 HD3 LYS 84 - HE3 LYS 88 far 0 55 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 1834 from cnoeabs.peaks (2.86, 2.86, 42.32 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 HE2 LYS 88 + HE2 LYS 88 OK 55 55 - 100 HE3 LYS 88 + HE3 LYS 88 OK 48 48 - 100 Peak 1835 from cnoeabs.peaks (3.00, 2.86, 42.32 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TRP 60 - HE2 LYS 58 far 0 61 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1837 from cnoeabs.peaks (7.01, 3.00, 42.32 ppm; 5.34 A increased from 5.03 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 58 + HE3 LYS 58 OK 100 100 100 100 4.1-5.3 6752/3.0=92, 6751/3.0=88...(13) QD PHE 10 + HE3 LYS 58 OK 61 73 85 98 5.5-6.8 8241/8242=79...(6) H ALA 57 - HE3 LYS 58 poor 18 73 25 - 4.8-6.7 H ILE 61 - HE3 LYS 58 far 0 61 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 1839 from cnoeabs.peaks (0.35, 3.00, 42.32 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.91: QD2 LEU 55 + HE3 LYS 58 OK 91 92 100 99 2.9-3.9 8258/9555=54...(12) ! HB2 LYS 58 - HE3 LYS 58 far 0 100 0 - 4.7-5.3 QG2 ILE 61 - HE3 LYS 58 far 0 98 0 - 5.3-6.6 Violated in 0 structures by 0.00 A. Peak 1840 from cnoeabs.peaks (1.55, 3.00, 42.32 ppm; 3.48 A): 3 out of 8 assignments used, quality = 0.99: HG LEU 36 + HE3 LYS 58 OK 97 98 100 100 2.0-3.1 2.1/8242=68, 2.1/9554=56...(16) HG2 ARG 44 + HB3 PHE 41 OK 35 66 60 89 2.8-4.6 2.9/10902=36...(11) HG3 ARG 44 + HB3 PHE 41 OK 27 68 45 89 3.1-5.0 2.9/10902=36...(11) ! HB3 LYS 58 - HE3 LYS 58 far 0 100 0 - 4.4-4.5 HB2 ARG 66 - HE3 LYS 58 far 0 65 0 - 7.7-9.0 HG LEU 109 - HB3 PHE 41 far 0 68 0 - 8.9-25.6 HB3 LEU 109 - HB3 PHE 41 far 0 78 0 - 9.4-23.9 QB ALA 62 - HE3 LYS 58 far 0 88 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1841 from cnoeabs.peaks (1.28, 3.00, 42.32 ppm; 3.87 A increased from 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 3.2-3.8 3.9=95, 1830/1.8=85...(15) HB ILE 61 - HE3 LYS 58 far 0 99 0 - 6.5-7.3 HG2 ARG 66 - HE3 LYS 58 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 1842 from cnoeabs.peaks (1.47, 3.00, 42.32 ppm; 3.87 A increased from 3.44 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.9-3.8 3.9=96, 1809/3.0=80...(20) QB ALA 45 + HB3 PHE 41 OK 55 78 100 70 3.5-4.3 9261/4.0=38...(3) QB ALA 57 - HE3 LYS 58 far 4 85 5 - 3.8-5.4 HB2 LEU 36 - HE3 LYS 58 far 0 99 0 - 4.6-6.0 QB ALA 47 - HB3 PHE 41 far 0 39 0 - 5.2-5.8 HG2 PRO 43 - HB3 PHE 41 far 0 72 0 - 7.3-9.9 HB3 LEU 51 - HE3 LYS 58 far 0 94 0 - 9.4-11.3 HG LEU 70 - HE3 LYS 58 far 0 59 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (1.62, 3.00, 42.32 ppm; 3.29 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 ARG 44 + HB3 PHE 41 OK 70 78 100 90 2.3-3.2 1.8/10902=38, 10899=33...(12) HB2 LEU 55 - HE3 LYS 58 far 0 95 0 - 5.9-7.2 HB2 ARG 66 - HE3 LYS 58 far 0 73 0 - 7.7-9.0 HB2 GLN 50 - HB3 PHE 41 far 0 77 0 - 8.1-9.5 HB3 PRO 43 - HB3 PHE 41 far 0 66 0 - 8.2-9.4 HB2 GLN 50 - HE3 LYS 58 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1844 from cnoeabs.peaks (1.36, 3.00, 42.32 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.2-2.9 3.0=100 HG LEU 17 - HB3 PHE 41 far 0 64 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 1845 from cnoeabs.peaks (2.86, 3.00, 42.32 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1846 from cnoeabs.peaks (3.00, 3.00, 42.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 HB3 PHE 41 + HB3 PHE 41 OK 61 61 - 100 Peak 1849 from cnoeabs.peaks (4.21, 4.21, 57.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 59 + HA HIS 59 OK 100 100 - 100 Peak 1850 from cnoeabs.peaks (3.18, 4.21, 57.89 ppm; 3.16 A increased from 2.81 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 59 + HA HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 59 + HA HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1851 from cnoeabs.peaks (3.18, 4.21, 57.89 ppm; 3.16 A increased from 2.81 A): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 59 + HA HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 59 + HA HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1852 from cnoeabs.peaks (7.12, 4.21, 57.89 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 59 + HA HIS 59 OK 100 100 100 100 2.3-4.2 5632=100 Violated in 0 structures by 0.00 A. Peak 1854 from cnoeabs.peaks (6.88, 4.21, 57.89 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 60 + HA HIS 59 OK 100 100 100 100 3.3-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 1856 from cnoeabs.peaks (4.21, 3.18, 29.86 ppm; 3.05 A increased from 2.87 A): 2 out of 4 assignments used, quality = 1.00: * HA HIS 59 + HB2 HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 59 + HB3 HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 62 - HB3 HIS 59 far 0 88 0 - 8.1-9.8 HA ALA 62 - HB2 HIS 59 far 0 88 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 1857 from cnoeabs.peaks (3.18, 3.18, 29.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 59 + HB2 HIS 59 OK 100 100 - 100 HB3 HIS 59 + HB3 HIS 59 OK 100 100 - 100 Peak 1858 from cnoeabs.peaks (3.18, 3.18, 29.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 HIS 59 + HB3 HIS 59 OK 100 100 - 100 HB2 HIS 59 + HB2 HIS 59 OK 100 100 - 100 Reference assignment not found: HB3 HIS 59 - HB2 HIS 59 Peak 1859 from cnoeabs.peaks (7.12, 3.18, 29.86 ppm; 4.04 A increased from 3.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 HIS 59 + HB2 HIS 59 OK 100 100 100 100 2.7-4.0 3.9=100 HD2 HIS 59 + HB3 HIS 59 OK 100 100 100 100 2.9-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1861 from cnoeabs.peaks (6.88, 3.18, 29.86 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.99: * H TRP 60 + HB2 HIS 59 OK 91 100 100 91 3.3-4.4 4.6=80, 6777/1.8=38...(4) H TRP 60 + HB3 HIS 59 OK 91 100 100 91 3.3-4.4 4.6=80, 6776/1.8=38...(4) Violated in 0 structures by 0.00 A. Peak 1863 from cnoeabs.peaks (4.21, 3.18, 29.86 ppm; 3.05 A increased from 2.87 A): 2 out of 4 assignments used, quality = 1.00: * HA HIS 59 + HB3 HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 59 + HB2 HIS 59 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 62 - HB3 HIS 59 far 0 88 0 - 8.1-9.8 HA ALA 62 - HB2 HIS 59 far 0 88 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 1864 from cnoeabs.peaks (3.18, 3.18, 29.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 HIS 59 + HB3 HIS 59 OK 100 100 - 100 HB2 HIS 59 + HB2 HIS 59 OK 100 100 - 100 Reference assignment not found: HB2 HIS 59 - HB3 HIS 59 Peak 1865 from cnoeabs.peaks (3.18, 3.18, 29.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 59 + HB3 HIS 59 OK 100 100 - 100 HB2 HIS 59 + HB2 HIS 59 OK 100 100 - 100 Peak 1866 from cnoeabs.peaks (7.12, 3.18, 29.86 ppm; 4.04 A increased from 3.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 HIS 59 + HB3 HIS 59 OK 100 100 100 100 2.9-4.0 3.9=100 HD2 HIS 59 + HB2 HIS 59 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1868 from cnoeabs.peaks (6.88, 3.18, 29.86 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.99: * H TRP 60 + HB3 HIS 59 OK 91 100 100 91 3.3-4.4 4.6=80, 6776/1.8=38...(4) H TRP 60 + HB2 HIS 59 OK 91 100 100 91 3.3-4.4 4.6=80, 6777/1.8=38...(4) Violated in 0 structures by 0.00 A. Peak 1869 from cnoeabs.peaks (6.88, 4.51, 55.39 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * H TRP 60 + HA TRP 60 OK 100 100 100 100 2.9-2.9 3.0=100 HH2 TRP 80 - HA GLN 89 far 0 75 0 - 9.4-12.3 H ASP 65 - HA TRP 60 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (4.51, 4.51, 55.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA TRP 60 + HA TRP 60 OK 100 100 - 100 HA GLN 89 + HA GLN 89 OK 74 74 - 100 Peak 1871 from cnoeabs.peaks (2.97, 4.51, 55.39 ppm; 2.63 A increased from 2.48 A): 1 out of 3 assignments used, quality = 0.93: * HB2 TRP 60 + HA TRP 60 OK 93 100 100 93 2.5-2.5 3.0=66, 1.8/1872=52...(7) HE3 LYS 58 - HA TRP 60 far 0 65 0 - 9.5-10.1 HB3 ASP 82 - HA GLN 89 far 0 55 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 1872 from cnoeabs.peaks (3.58, 4.51, 55.39 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 60 + HA TRP 60 OK 100 100 100 100 2.4-2.4 3.0=100 HA GLU 56 - HA TRP 60 far 0 73 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 1873 from cnoeabs.peaks (7.19, 4.51, 55.39 ppm; 4.59 A increased from 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 60 + HA TRP 60 OK 100 100 100 100 4.4-4.5 4.5=100 HZ3 TRP 60 - HA TRP 60 far 0 84 0 - 6.5-6.7 HE21 GLN 27 - HA TRP 60 far 0 92 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 1874 from cnoeabs.peaks (7.30, 4.51, 55.39 ppm; 4.33 A increased from 3.85 A): 1 out of 8 assignments used, quality = 0.99: * HE3 TRP 60 + HA TRP 60 OK 99 100 100 99 4.2-4.3 4.2/1871=70...(6) HZ PHE 10 - HA TRP 60 far 0 92 0 - 6.0-6.2 QE PHE 79 - HA GLN 89 far 0 75 0 - 7.2-8.5 HE22 GLN 86 - HA GLN 89 far 0 54 0 - 8.2-9.0 H ASN 20 - HA GLN 89 far 0 72 0 - 8.3-11.2 HE3 TRP 80 - HA GLN 89 far 0 76 0 - 9.4-12.2 QE PHE 104 - HA GLN 89 far 0 72 0 - 9.6-12.3 HE22 GLN 81 - HA GLN 89 far 0 47 0 - 10.0-15.3 Violated in 0 structures by 0.00 A. Peak 1878 from cnoeabs.peaks (6.97, 4.51, 55.39 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 61 + HA TRP 60 OK 100 100 100 100 3.2-3.3 3.6=100 HE22 GLN 19 - HA GLN 89 far 0 42 0 - 7.1-12.6 H LYS 58 - HA TRP 60 far 0 61 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 1879 from cnoeabs.peaks (6.88, 2.97, 27.89 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 60 + HB2 TRP 60 OK 100 100 100 100 2.6-2.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (4.51, 2.97, 27.89 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 60 + HB2 TRP 60 OK 100 100 100 100 2.5-2.5 3.0=100 HA SER 4 - HB2 TRP 60 far 0 93 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. Peak 1881 from cnoeabs.peaks (2.97, 2.97, 27.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 60 + HB2 TRP 60 OK 100 100 - 100 Peak 1882 from cnoeabs.peaks (3.58, 2.97, 27.89 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 60 + HB2 TRP 60 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 56 - HB2 TRP 60 far 0 73 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 1883 from cnoeabs.peaks (7.19, 2.97, 27.89 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 60 + HB2 TRP 60 OK 100 100 100 100 2.7-2.7 3.9=96, 1893/1.8=73...(6) HZ3 TRP 60 - HB2 TRP 60 far 0 84 0 - 6.3-6.3 HE21 GLN 27 - HB2 TRP 60 far 0 92 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 1884 from cnoeabs.peaks (7.30, 2.97, 27.89 ppm; 4.21 A increased from 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 60 + HB2 TRP 60 OK 100 100 100 100 4.1-4.1 4.2=100 HZ PHE 10 - HB2 TRP 60 far 0 92 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 1888 from cnoeabs.peaks (6.97, 2.97, 27.89 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 61 + HB2 TRP 60 OK 100 100 100 100 4.3-4.4 4.3=100 H LYS 58 - HB2 TRP 60 far 0 61 0 - 7.6-7.7 Violated in 0 structures by 0.00 A. Peak 1889 from cnoeabs.peaks (6.88, 3.58, 27.89 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 60 + HB3 TRP 60 OK 100 100 100 100 3.6-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1890 from cnoeabs.peaks (4.51, 3.58, 27.89 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 60 + HB3 TRP 60 OK 100 100 100 100 2.4-2.4 3.0=100 HA SER 4 - HB3 TRP 60 far 0 93 0 - 8.4-13.9 Violated in 0 structures by 0.00 A. Peak 1891 from cnoeabs.peaks (2.97, 3.58, 27.89 ppm; 3.04 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 60 + HB3 TRP 60 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 58 - HB3 TRP 60 far 0 65 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 1892 from cnoeabs.peaks (3.58, 3.58, 27.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 60 + HB3 TRP 60 OK 100 100 - 100 Peak 1893 from cnoeabs.peaks (7.19, 3.58, 27.89 ppm; 3.87 A): 1 out of 3 assignments used, quality = 0.99: * HD1 TRP 60 + HB3 TRP 60 OK 99 100 100 99 3.8-3.8 3.9=99 HZ3 TRP 60 - HB3 TRP 60 far 0 84 0 - 4.9-4.9 HE21 GLN 27 - HB3 TRP 60 far 0 92 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 1894 from cnoeabs.peaks (7.30, 3.58, 27.89 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.99: * HE3 TRP 60 + HB3 TRP 60 OK 99 100 100 99 2.5-2.6 4.2=89, 1874/1872=54...(6) HZ PHE 10 - HB3 TRP 60 far 0 92 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 1898 from cnoeabs.peaks (6.97, 3.58, 27.89 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 61 + HB3 TRP 60 OK 100 100 100 100 4.4-4.4 4.3=100 H LYS 58 - HB3 TRP 60 far 0 61 0 - 8.3-8.4 Violated in 0 structures by 0.00 A. Peak 1899 from cnoeabs.peaks (6.97, 3.90, 61.22 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 61 + HA ILE 61 OK 100 100 100 100 2.9-2.9 2.9=100 H LYS 58 - HA ILE 61 far 0 61 0 - 6.5-7.0 H ALA 57 - HA ILE 61 far 0 100 0 - 8.3-8.9 HD2 HIS 7 - HA ILE 61 far 0 96 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 1900 from cnoeabs.peaks (3.90, 3.90, 61.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 61 + HA ILE 61 OK 100 100 - 100 Peak 1901 from cnoeabs.peaks (1.27, 3.90, 61.22 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 61 + HA ILE 61 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 66 - HA ILE 61 far 0 94 0 - 6.5-8.6 HG2 LYS 58 - HA ILE 61 far 0 99 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 1902 from cnoeabs.peaks (0.34, 3.90, 61.22 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 61 + HA ILE 61 OK 100 100 100 100 2.1-2.6 1916=96, 6810/6808=54...(21) HB2 LYS 58 - HA ILE 61 far 0 98 0 - 5.0-5.8 QD2 LEU 55 - HA ILE 61 far 0 100 0 - 5.4-6.1 Violated in 0 structures by 0.00 A. Peak 1903 from cnoeabs.peaks (0.04, 3.90, 61.22 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 61 + HA ILE 61 OK 100 100 100 100 3.3-3.6 3.8=70, 2.1/1905=64...(20) HG13 ILE 61 + HA ILE 61 OK 100 100 100 100 2.7-3.9 3.8=70, 2.1/1905=64...(22) Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (0.03, 3.90, 61.22 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: HG12 ILE 61 + HA ILE 61 OK 100 100 100 100 3.3-3.6 3.8=70, 2.1/1905=64...(19) * HG13 ILE 61 + HA ILE 61 OK 100 100 100 100 2.7-3.9 3.8=70, 2.1/1905=64...(21) Violated in 0 structures by 0.00 A. Peak 1905 from cnoeabs.peaks (0.10, 3.90, 61.22 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 61 + HA ILE 61 OK 100 100 100 100 1.7-2.2 1940=81, 6804/2.9=59...(19) Violated in 0 structures by 0.00 A. Peak 1906 from cnoeabs.peaks (9.34, 3.90, 61.22 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + HA ILE 61 OK 100 100 100 100 2.2-2.6 6808=100, 6810/1902=41...(14) Violated in 0 structures by 0.00 A. Peak 1907 from cnoeabs.peaks (6.97, 1.27, 37.07 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 61 + HB ILE 61 OK 100 100 100 100 2.2-2.8 6800=100, 1915/2.1=59...(13) H LYS 58 - HB ILE 61 far 6 61 10 - 4.0-5.3 H ALA 57 - HB ILE 61 far 0 100 0 - 5.5-6.5 Violated in 0 structures by 0.00 A. Peak 1908 from cnoeabs.peaks (3.90, 1.27, 37.07 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 61 + HB ILE 61 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1909 from cnoeabs.peaks (1.27, 1.27, 37.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 61 + HB ILE 61 OK 100 100 - 100 Peak 1910 from cnoeabs.peaks (0.34, 1.27, 37.07 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 61 + HB ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 58 - HB ILE 61 far 0 98 0 - 4.0-5.7 QD2 LEU 55 - HB ILE 61 far 0 100 0 - 4.9-5.6 Violated in 0 structures by 0.00 A. Peak 1911 from cnoeabs.peaks (0.04, 1.27, 37.07 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 61 + HB ILE 61 OK 100 100 100 100 2.3-2.5 3.0=100 HG13 ILE 61 + HB ILE 61 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1912 from cnoeabs.peaks (0.03, 1.27, 37.07 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 61 + HB ILE 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 61 + HB ILE 61 OK 100 100 100 100 2.3-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1913 from cnoeabs.peaks (0.10, 1.27, 37.07 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 61 + HB ILE 61 OK 100 100 100 100 2.6-3.2 1941=100, 6804/6800=52...(15) Violated in 3 structures by 0.01 A. Peak 1914 from cnoeabs.peaks (9.34, 1.27, 37.07 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + HB ILE 61 OK 100 100 100 100 2.9-4.3 4.4=100 Violated in 0 structures by 0.00 A. Peak 1915 from cnoeabs.peaks (6.97, 0.34, 15.66 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 61 + QG2 ILE 61 OK 100 100 100 100 3.6-3.8 6800/2.1=85, 4.0=80...(15) H LYS 58 - QG2 ILE 61 far 0 61 0 - 4.7-5.2 H ALA 57 - QG2 ILE 61 far 0 100 0 - 5.3-6.1 HD2 HIS 7 - QG2 ILE 61 far 0 96 0 - 9.4-13.6 HE21 GLN 72 - QG2 ILE 61 far 0 96 0 - 9.9-10.5 Violated in 4 structures by 0.02 A. Peak 1916 from cnoeabs.peaks (3.90, 0.34, 15.66 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 61 + QG2 ILE 61 OK 100 100 100 100 2.1-2.6 1902=100, 6808/6810=55...(21) HA VAL 69 - QG2 ILE 61 far 0 65 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 1917 from cnoeabs.peaks (1.27, 0.34, 15.66 ppm; 2.93 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 61 + QG2 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 66 - QG2 ILE 61 far 5 94 5 - 3.4-4.6 HG2 LYS 58 - QG2 ILE 61 far 0 99 0 - 6.0-6.2 HG12 ILE 67 - QG2 ILE 61 far 0 85 0 - 7.1-8.1 HG12 ILE 28 - QG2 ILE 61 far 0 100 0 - 8.4-9.6 HD2 LYS 52 - QG2 ILE 61 far 0 79 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 1918 from cnoeabs.peaks (0.34, 0.34, 15.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 61 + QG2 ILE 61 OK 100 100 - 100 Peak 1919 from cnoeabs.peaks (0.04, 0.34, 15.66 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 61 + QG2 ILE 61 OK 99 100 100 99 2.5-3.2 3.2=84, 2.1/1942=36...(18) HG13 ILE 61 + QG2 ILE 61 OK 99 100 100 99 2.1-2.3 3.2=84, 2.1/1942=36...(19) Violated in 0 structures by 0.00 A. Peak 1920 from cnoeabs.peaks (0.03, 0.34, 15.66 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: HG12 ILE 61 + QG2 ILE 61 OK 99 100 100 99 2.5-3.2 3.2=84, 2.1/1942=36...(18) * HG13 ILE 61 + QG2 ILE 61 OK 99 100 100 99 2.1-2.3 3.2=84, 2.1/1942=36...(20) Violated in 0 structures by 0.00 A. Peak 1921 from cnoeabs.peaks (0.10, 0.34, 15.66 ppm; 3.27 A increased from 2.76 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 61 + QG2 ILE 61 OK 100 100 100 100 2.0-3.2 3.3=100 Violated in 0 structures by 0.00 A. Peak 1922 from cnoeabs.peaks (9.34, 0.34, 15.66 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + QG2 ILE 61 OK 100 100 100 100 1.7-2.3 6810=100, 6808/1902=59...(18) Violated in 0 structures by 0.00 A. Peak 1923 from cnoeabs.peaks (6.97, 0.04, 25.69 ppm; 4.76 A): 4 out of 6 assignments used, quality = 1.00: * H ILE 61 + HG12 ILE 61 OK 100 100 100 100 1.9-3.9 4.6=100 H ILE 61 + HG13 ILE 61 OK 100 100 100 100 3.5-4.3 4.6=100 H LYS 58 + HG12 ILE 61 OK 61 61 100 99 3.2-3.9 10761=61, 9545/2.1=54...(11) H ALA 57 + HG12 ILE 61 OK 60 100 80 75 5.1-6.0 4.5/10761=53...(7) H ALA 57 - HG13 ILE 61 poor 20 100 20 - 5.0-7.0 H LYS 58 - HG13 ILE 61 poor 12 61 20 - 3.4-5.5 Violated in 0 structures by 0.00 A. Peak 1924 from cnoeabs.peaks (3.90, 0.04, 25.69 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 61 + HG12 ILE 61 OK 100 100 100 100 3.3-3.6 3.8=100 HA ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.7-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 1925 from cnoeabs.peaks (1.27, 0.04, 25.69 ppm; 4.61 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 61 + HG12 ILE 61 OK 100 100 100 100 2.3-2.5 3.0=100 HB ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 58 + HG12 ILE 61 OK 99 99 100 100 4.1-4.7 9549/2.1=81...(31) HG2 LYS 58 - HG13 ILE 61 poor 20 99 20 - 4.5-6.1 HG2 ARG 66 - HG13 ILE 61 far 0 94 0 - 6.1-7.4 HG2 ARG 66 - HG12 ILE 61 far 0 94 0 - 7.0-8.4 HG12 ILE 28 - HG13 ILE 61 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1926 from cnoeabs.peaks (0.34, 0.04, 25.69 ppm; 4.00 A): 5 out of 6 assignments used, quality = 1.00: * QG2 ILE 61 + HG12 ILE 61 OK 100 100 100 100 2.5-3.2 3.2=100 QG2 ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.1-2.3 3.2=100 QD2 LEU 55 + HG13 ILE 61 OK 98 99 100 99 3.0-3.9 8351/2.1=77, ~9511=37...(23) HB2 LYS 58 + HG12 ILE 61 OK 98 98 100 100 3.1-3.9 9547/2.1=62, ~8377=56...(27) QD2 LEU 55 + HG12 ILE 61 OK 79 100 80 99 3.0-5.3 8351/2.1=77, ~9511=37...(24) HB2 LYS 58 - HG13 ILE 61 far 15 97 15 - 4.0-5.0 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (0.04, 0.04, 25.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 61 + HG12 ILE 61 OK 100 100 - 100 HG13 ILE 61 + HG13 ILE 61 OK 100 100 - 100 Peak 1928 from cnoeabs.peaks (0.03, 0.04, 25.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 61 + HG13 ILE 61 OK 100 100 - 100 HG12 ILE 61 + HG12 ILE 61 OK 100 100 - 100 Reference assignment not found: HG13 ILE 61 - HG12 ILE 61 Peak 1929 from cnoeabs.peaks (0.10, 0.04, 25.69 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 61 + HG12 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1931 from cnoeabs.peaks (6.97, 0.03, 25.69 ppm; 4.76 A): 4 out of 6 assignments used, quality = 1.00: * H ILE 61 + HG13 ILE 61 OK 100 100 100 100 3.5-4.3 4.6=100 H ILE 61 + HG12 ILE 61 OK 100 100 100 100 1.9-3.9 4.6=100 H LYS 58 + HG12 ILE 61 OK 60 61 100 99 3.2-3.9 10761=61, 9545/2.1=54...(11) H ALA 57 + HG12 ILE 61 OK 60 100 80 75 5.1-6.0 4.5/10761=54...(7) H ALA 57 - HG13 ILE 61 poor 20 100 20 - 5.0-7.0 H LYS 58 - HG13 ILE 61 poor 12 61 20 - 3.4-5.5 Violated in 0 structures by 0.00 A. Peak 1932 from cnoeabs.peaks (3.90, 0.03, 25.69 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.7-3.9 3.8=100 HA ILE 61 + HG12 ILE 61 OK 100 100 100 100 3.3-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1933 from cnoeabs.peaks (1.27, 0.03, 25.69 ppm; 4.61 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 61 + HG12 ILE 61 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 LYS 58 + HG12 ILE 61 OK 99 99 100 100 4.1-4.7 9549/2.1=81...(31) HG2 LYS 58 - HG13 ILE 61 poor 20 99 20 - 4.5-6.1 HG2 ARG 66 - HG13 ILE 61 far 0 94 0 - 6.1-7.4 HG2 ARG 66 - HG12 ILE 61 far 0 94 0 - 7.0-8.4 HG12 ILE 28 - HG13 ILE 61 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1934 from cnoeabs.peaks (0.34, 0.03, 25.69 ppm; 4.00 A): 5 out of 6 assignments used, quality = 1.00: * QG2 ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.1-2.3 3.2=100 QG2 ILE 61 + HG12 ILE 61 OK 100 100 100 100 2.5-3.2 3.2=100 QD2 LEU 55 + HG13 ILE 61 OK 98 100 100 99 3.0-3.9 8351/2.1=77, ~9511=37...(23) HB2 LYS 58 + HG12 ILE 61 OK 97 97 100 100 3.1-3.9 9547/2.1=62, ~8377=56...(27) QD2 LEU 55 + HG12 ILE 61 OK 78 99 80 99 3.0-5.3 8351/2.1=77, ~9511=37...(24) HB2 LYS 58 - HG13 ILE 61 far 15 98 15 - 4.0-5.0 Violated in 0 structures by 0.00 A. Peak 1935 from cnoeabs.peaks (0.04, 0.03, 25.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 61 + HG13 ILE 61 OK 100 100 - 100 HG12 ILE 61 + HG12 ILE 61 OK 100 100 - 100 Reference assignment not found: HG12 ILE 61 - HG13 ILE 61 Peak 1936 from cnoeabs.peaks (0.03, 0.03, 25.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 61 + HG13 ILE 61 OK 100 100 - 100 HG12 ILE 61 + HG12 ILE 61 OK 100 100 - 100 Peak 1937 from cnoeabs.peaks (0.10, 0.03, 25.69 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 61 + HG13 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 61 + HG12 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1939 from cnoeabs.peaks (6.97, 0.10, 14.62 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 61 + QD1 ILE 61 OK 100 100 100 100 2.4-3.0 6804=100, 6802/2.1=80...(17) H LYS 58 + QD1 ILE 61 OK 58 61 95 99 4.1-4.2 3.7/8377=48, 3.0/9546=39...(14) H ALA 57 - QD1 ILE 61 far 0 100 0 - 5.8-6.1 HD2 HIS 7 - QD1 ILE 61 far 0 96 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 1940 from cnoeabs.peaks (3.90, 0.10, 14.62 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 61 + QD1 ILE 61 OK 100 100 100 100 1.7-2.2 1905=100, 2.9/6804=67...(19) HA VAL 69 - QD1 ILE 61 far 0 65 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (1.27, 0.10, 14.62 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 61 + QD1 ILE 61 OK 100 100 100 100 2.6-3.2 1913=95, 6800/6804=51...(15) HG2 LYS 58 - QD1 ILE 61 far 0 99 0 - 3.9-4.2 HG2 ARG 66 - QD1 ILE 61 far 0 94 0 - 6.3-8.1 HG12 ILE 28 - QD1 ILE 61 far 0 100 0 - 8.9-9.1 Violated in 4 structures by 0.02 A. Peak 1942 from cnoeabs.peaks (0.34, 0.10, 14.62 ppm; 2.62 A): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 61 + QD1 ILE 61 OK 98 100 100 98 2.0-3.2 3.3=52, 2.1/1941=44...(22) HB2 LYS 58 + QD1 ILE 61 OK 94 98 100 96 2.1-3.2 1.8/8377=42...(26) QD2 LEU 55 - QD1 ILE 61 far 0 100 0 - 3.3-3.6 Violated in 0 structures by 0.00 A. Peak 1943 from cnoeabs.peaks (0.04, 0.10, 14.62 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 61 + QD1 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 61 + QD1 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (0.03, 0.10, 14.62 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 61 + QD1 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 61 + QD1 ILE 61 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (0.10, 0.10, 14.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 61 + QD1 ILE 61 OK 100 100 - 100 Peak 1946 from cnoeabs.peaks (9.34, 0.10, 14.62 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + QD1 ILE 61 OK 100 100 100 100 3.4-4.0 6813=100, 6808/1905=91...(14) Violated in 0 structures by 0.00 A. Peak 1947 from cnoeabs.peaks (9.34, 4.19, 51.92 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + HA ALA 62 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1948 from cnoeabs.peaks (4.19, 4.19, 51.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 62 + HA ALA 62 OK 100 100 - 100 HA ALA 57 + HA ALA 57 OK 41 41 - 100 Peak 1949 from cnoeabs.peaks (1.58, 4.19, 51.92 ppm; 2.64 A): 1 out of 9 assignments used, quality = 1.00: * QB ALA 62 + HA ALA 62 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 58 - HA ALA 57 far 0 37 0 - 5.8-6.1 HG13 ILE 67 - HA ALA 62 far 0 90 0 - 7.0-7.1 HB2 ARG 66 - HA ALA 62 far 0 98 0 - 7.2-7.7 HB2 LEU 55 - HA ALA 57 far 0 33 0 - 7.4-7.4 HB2 LEU 55 - HA ALA 62 far 0 81 0 - 7.8-8.6 HB3 LYS 58 - HA ALA 62 far 0 88 0 - 7.9-8.2 HB2 ARG 66 - HA ALA 57 far 0 45 0 - 9.1-9.7 HG LEU 36 - HA ALA 57 far 0 46 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 1950 from cnoeabs.peaks (8.80, 4.19, 51.92 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + HA ALA 62 OK 100 100 100 100 2.2-2.3 6819=100, 6820/2.1=63...(7) Violated in 0 structures by 0.00 A. Peak 1951 from cnoeabs.peaks (9.34, 1.58, 18.56 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 62 + QB ALA 62 OK 100 100 100 100 2.1-2.6 6815=100, 6808/8389=26...(9) Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (4.19, 1.58, 18.56 ppm; 2.54 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 62 + QB ALA 62 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 5 - QB ALA 62 far 0 100 0 - 6.9-9.5 HA HIS 59 - QB ALA 62 far 0 88 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 1953 from cnoeabs.peaks (1.58, 1.58, 18.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 62 + QB ALA 62 OK 100 100 - 100 Peak 1954 from cnoeabs.peaks (8.80, 1.58, 18.56 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + QB ALA 62 OK 100 100 100 100 2.8-3.0 6820=100, 6819/2.1=69...(11) Violated in 0 structures by 0.00 A. Peak 1955 from cnoeabs.peaks (8.80, 3.67, 60.07 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + HA GLU 63 OK 100 100 100 100 2.7-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 1956 from cnoeabs.peaks (3.67, 3.67, 60.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 63 + HA GLU 63 OK 100 100 - 100 Peak 1957 from cnoeabs.peaks (2.10, 3.67, 60.07 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 63 + HA GLU 63 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1958 from cnoeabs.peaks (1.94, 3.67, 60.07 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 63 + HA GLU 63 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 70 - HA GLU 63 far 0 100 0 - 7.9-8.2 HB2 GLU 56 - HA GLU 63 far 0 79 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (2.17, 3.67, 60.07 ppm; 3.32 A increased from 2.96 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 63 + HA GLU 63 OK 100 100 100 100 2.9-3.3 4.1=55, 1985/3.6=43...(28) HG3 GLU 63 + HA GLU 63 OK 99 100 100 99 2.5-3.8 4.1=55, 1.8/1980=37...(27) Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (2.17, 3.67, 60.07 ppm; 3.32 A increased from 2.96 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 63 + HA GLU 63 OK 100 100 100 100 2.9-3.3 4.1=55, 1992/3.6=43...(28) * HG3 GLU 63 + HA GLU 63 OK 99 100 100 99 2.5-3.8 4.1=55, 1.8/1980=37...(27) Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (8.85, 3.67, 60.07 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 64 + HA GLU 63 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1962 from cnoeabs.peaks (7.83, 3.67, 60.07 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + HA GLU 63 OK 100 100 100 100 3.6-3.7 6851=100, 6860/1964=54...(17) Violated in 0 structures by 0.00 A. Peak 1963 from cnoeabs.peaks (1.59, 3.67, 60.07 ppm; 3.48 A): 1 out of 6 assignments used, quality = 0.97: HG13 ILE 67 + HA GLU 63 OK 97 99 100 98 3.1-3.3 2.1/9750=56...(16) QB ALA 62 - HA GLU 63 far 0 98 0 - 4.5-4.6 ! HB2 ARG 66 - HA GLU 63 far 0 100 0 - 5.1-5.3 HB2 LEU 55 - HA GLU 63 far 0 96 0 - 6.6-7.1 HB3 LYS 58 - HA GLU 63 far 0 65 0 - 9.1-9.9 HB2 LEU 70 - HA GLU 63 far 0 95 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 1964 from cnoeabs.peaks (1.71, 3.67, 60.07 ppm; 4.13 A increased from 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 66 + HA GLU 63 OK 100 100 100 100 3.8-4.1 2042=95, 6860/6851=60...(9) HG LEU 55 - HA GLU 63 far 0 79 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 1965 from cnoeabs.peaks (8.80, 2.10, 29.37 ppm; 3.65 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + HB2 GLU 63 OK 100 100 100 100 2.4-2.5 6822=100, 6823/1.8=82...(12) H ILE 90 + HG12 ILE 90 OK 50 58 100 87 2.1-3.1 4.7=48, 3570/2.1=42...(5) H ASN 85 - HG12 ILE 90 far 0 39 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 1966 from cnoeabs.peaks (3.67, 2.10, 29.37 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 63 + HB2 GLU 63 OK 100 100 100 100 2.4-2.5 3.0=100 HA LEU 83 - HG12 ILE 90 far 0 55 0 - 5.5-6.2 HB3 PHE 79 - HG12 ILE 90 far 0 58 0 - 7.4-9.0 HA GLN 96 - HG12 ILE 90 far 0 48 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (2.10, 2.10, 29.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 63 + HB2 GLU 63 OK 100 100 - 100 HG12 ILE 90 + HG12 ILE 90 OK 30 30 - 100 Peak 1968 from cnoeabs.peaks (1.94, 2.10, 29.37 ppm; 2.64 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 63 + HB2 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 90 + HG12 ILE 90 OK 56 56 100 100 1.8-1.8 1.8=100 HB2 GLU 94 - HG12 ILE 90 far 0 31 0 - 4.0-5.1 HB3 GLN 89 - HG12 ILE 90 far 0 56 0 - 6.2-7.4 HB3 LEU 70 - HB2 GLU 63 far 0 100 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1969 from cnoeabs.peaks (2.17, 2.10, 29.37 ppm; 2.65 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 63 + HB2 GLU 63 OK 98 100 100 98 3.0-3.0 3.0=70, 1.8/1988=33...(24) HG3 GLU 63 + HB2 GLU 63 OK 97 100 100 97 2.5-2.6 3.0=70, 1.8/1981=33...(21) HB3 GLU 94 - HG12 ILE 90 far 0 47 0 - 3.9-4.5 HG2 GLU 94 - HG12 ILE 90 far 0 42 0 - 5.2-5.7 HG3 GLN 96 - HG12 ILE 90 far 0 42 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1970 from cnoeabs.peaks (2.17, 2.10, 29.37 ppm; 2.65 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLU 63 + HB2 GLU 63 OK 98 100 100 98 3.0-3.0 3.0=70, 1.8/1988=33...(24) * HG3 GLU 63 + HB2 GLU 63 OK 97 100 100 97 2.5-2.6 3.0=70, 1.8/1981=33...(21) HB3 GLU 94 - HG12 ILE 90 far 0 48 0 - 3.9-4.5 HG2 GLU 94 - HG12 ILE 90 far 0 44 0 - 5.2-5.7 HG3 GLN 96 - HG12 ILE 90 far 0 41 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1971 from cnoeabs.peaks (8.85, 2.10, 29.37 ppm; 3.77 A increased from 3.55 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 64 + HB2 GLU 63 OK 100 100 100 100 3.6-3.7 6831=100, 6832/1.8=91...(18) H TRP 80 - HG12 ILE 90 far 0 34 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 1972 from cnoeabs.peaks (8.80, 1.94, 29.37 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.6-2.7 6823=100, 6822/1.8=77...(12) H ILE 90 + HG13 ILE 90 OK 80 95 100 84 2.5-3.7 4.7=41, 3570/2.1=37...(7) H ILE 90 - HB2 GLU 94 far 0 54 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (3.67, 1.94, 29.37 ppm; 3.38 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 63 + HB3 GLU 63 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 55 + HB2 GLU 54 OK 56 64 100 87 3.8-3.9 3.0/6698=49, ~1638=28...(11) HA LEU 83 - HG13 ILE 90 far 0 93 0 - 6.4-8.0 HA GLN 50 - HB2 GLU 54 far 0 79 0 - 6.8-7.3 HA2 GLY 97 - HB2 GLU 94 far 0 55 0 - 7.3-8.3 HA GLN 96 - HB2 GLU 94 far 0 45 0 - 7.6-8.0 HB3 PHE 79 - HG13 ILE 90 far 0 96 0 - 7.7-9.5 HB3 SER 38 - HB2 GLU 54 far 0 76 0 - 8.3-8.6 HA GLN 96 - HG13 ILE 90 far 0 84 0 - 8.5-10.6 HA GLN 96 - HB3 GLU 101 far 0 89 0 - 9.3-10.2 HA LEU 83 - HB2 GLU 94 far 0 52 0 - 9.3-10.4 HB3 PHE 79 - HB2 GLU 94 far 0 55 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 1974 from cnoeabs.peaks (2.10, 1.94, 29.37 ppm; 2.49 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 63 + HB3 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 90 + HG13 ILE 90 OK 56 56 100 100 1.8-1.8 1.8=100 HG12 ILE 90 - HB2 GLU 94 far 0 28 0 - 4.0-5.1 Violated in 0 structures by 0.00 A. Peak 1975 from cnoeabs.peaks (1.94, 1.94, 29.37 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 63 + HB3 GLU 63 OK 100 100 - 100 HB3 GLU 101 + HB3 GLU 101 OK 100 100 - 100 HG13 ILE 90 + HG13 ILE 90 OK 94 94 - 100 HB2 GLU 54 + HB2 GLU 54 OK 92 92 - 100 HB2 GLU 94 + HB2 GLU 94 OK 29 29 - 100 Peak 1976 from cnoeabs.peaks (2.17, 1.94, 29.37 ppm; 2.47 A): 7 out of 12 assignments used, quality = 1.00: * HG2 GLU 63 + HB3 GLU 63 OK 97 100 100 97 2.4-2.6 3.0=56, 1981/1.8=29...(20) HG3 GLU 63 + HB3 GLU 63 OK 94 100 100 94 2.3-3.0 3.0=56, 1988/1.8=29...(17) HB3 GLU 54 + HB2 GLU 54 OK 71 71 100 100 1.8-1.8 1.8=100 HG12 ILE 90 + HG13 ILE 90 OK 56 56 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HG13 ILE 90 OK 47 83 75 75 2.6-4.5 ~10115=10, ~10118=10...(28) HB3 GLU 94 + HB2 GLU 94 OK 44 44 100 100 1.8-1.8 1.8=100 HG2 GLU 94 + HB2 GLU 94 OK 37 40 100 92 2.9-3.0 3.0=56, 2610/3.0=23...(17) HG12 ILE 90 - HB2 GLU 94 far 0 28 0 - 4.0-5.1 HG2 GLU 94 - HG13 ILE 90 far 0 77 0 - 4.3-5.5 HB VAL 102 - HB3 GLU 101 far 0 95 0 - 5.3-5.6 HG3 GLN 96 - HB2 GLU 94 far 0 40 0 - 7.8-9.4 HG3 GLN 96 - HG13 ILE 90 far 0 77 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 1977 from cnoeabs.peaks (2.17, 1.94, 29.37 ppm; 2.47 A): 7 out of 12 assignments used, quality = 1.00: HG2 GLU 63 + HB3 GLU 63 OK 97 100 100 97 2.4-2.6 3.0=56, 1981/1.8=29...(20) * HG3 GLU 63 + HB3 GLU 63 OK 94 100 100 94 2.3-3.0 3.0=56, 1988/1.8=29...(17) HB3 GLU 54 + HB2 GLU 54 OK 73 73 100 100 1.8-1.8 1.8=100 HG12 ILE 90 + HG13 ILE 90 OK 58 58 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HG13 ILE 90 OK 48 84 75 76 2.6-4.5 ~10115=10, ~10118=10...(28) HB3 GLU 94 + HB2 GLU 94 OK 45 45 100 100 1.8-1.8 1.8=100 HG2 GLU 94 + HB2 GLU 94 OK 38 41 100 93 2.9-3.0 3.0=56, 2610/3.0=23...(17) HG12 ILE 90 - HB2 GLU 94 far 0 29 0 - 4.0-5.1 HG2 GLU 94 - HG13 ILE 90 far 0 78 0 - 4.3-5.5 HB VAL 102 - HB3 GLU 101 far 0 94 0 - 5.3-5.6 HG3 GLN 96 - HB2 GLU 94 far 0 39 0 - 7.8-9.4 HG3 GLN 96 - HG13 ILE 90 far 0 75 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 1978 from cnoeabs.peaks (8.85, 1.94, 29.37 ppm; 2.97 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 64 + HB3 GLU 63 OK 100 100 100 100 2.1-2.2 6832=94, 6831/1.8=48...(16) H GLU 101 + HB3 GLU 101 OK 96 100 100 96 3.0-3.0 7265=52, 7257/1.8=46...(12) H TRP 80 - HG13 ILE 90 far 0 64 0 - 7.8-9.4 H LYS 13 - HB3 GLU 101 far 0 100 0 - 8.8-9.3 H LYS 13 - HB2 GLU 54 far 0 96 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 1979 from cnoeabs.peaks (8.80, 2.17, 35.50 ppm; 3.62 A): 0 out of 2 assignments used, quality = 0.00: H GLU 63 - HG3 GLU 63 far 0 100 0 - 4.4-4.6 ! H GLU 63 - HG2 GLU 63 far 0 100 0 - 4.5-4.5 Violated in 20 structures by 0.38 A. Peak 1980 from cnoeabs.peaks (3.67, 2.17, 35.50 ppm; 3.23 A increased from 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.9-3.3 4.1=50, 3.6/1985=40...(28) HA GLU 63 + HG3 GLU 63 OK 99 100 100 99 2.5-3.8 4.1=50, 1959/1.8=34...(27) Violated in 0 structures by 0.00 A. Peak 1981 from cnoeabs.peaks (2.10, 2.17, 35.50 ppm; 2.55 A increased from 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 63 + HG2 GLU 63 OK 96 100 100 96 3.0-3.0 3.0=62, 1970/1.8=29...(21) HB2 GLU 63 + HG3 GLU 63 OK 95 100 100 95 2.5-2.6 3.0=62, 1969/1.8=30...(21) Violated in 0 structures by 0.00 A. Peak 1982 from cnoeabs.peaks (1.94, 2.17, 35.50 ppm; 2.68 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 63 + HG2 GLU 63 OK 99 100 100 99 2.4-2.6 3.0=72, 1.8/1981=34...(23) HB3 GLU 63 + HG3 GLU 63 OK 97 100 100 97 2.3-3.0 3.0=72, 1.8/1981=34...(20) HB3 LEU 70 - HG3 GLU 63 far 0 100 0 - 7.7-9.5 HB3 LEU 70 - HG2 GLU 63 far 0 100 0 - 7.8-8.0 HB2 GLU 56 - HG3 GLU 63 far 0 79 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (2.17, 2.17, 35.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 HG3 GLU 63 + HG3 GLU 63 OK 100 100 - 100 Peak 1984 from cnoeabs.peaks (2.17, 2.17, 35.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HG3 GLU 63 OK 100 100 - 100 HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 Reference assignment not found: HG3 GLU 63 - HG2 GLU 63 Peak 1985 from cnoeabs.peaks (8.85, 2.17, 35.50 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 64 + HG2 GLU 63 OK 100 100 100 100 3.3-3.3 6833=100, 6832/3.0=59...(16) H ALA 64 - HG3 GLU 63 far 5 100 5 - 3.9-4.4 Violated in 0 structures by 0.00 A. Peak 1986 from cnoeabs.peaks (8.80, 2.17, 35.50 ppm; 3.62 A): 0 out of 2 assignments used, quality = 0.00: ! H GLU 63 - HG3 GLU 63 far 0 100 0 - 4.4-4.6 H GLU 63 - HG2 GLU 63 far 0 100 0 - 4.5-4.5 Violated in 20 structures by 0.38 A. Peak 1987 from cnoeabs.peaks (3.67, 2.17, 35.50 ppm; 3.23 A increased from 3.04 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.9-3.3 4.1=50, 3.6/1992=40...(28) * HA GLU 63 + HG3 GLU 63 OK 99 100 100 99 2.5-3.8 4.1=50, 1959/1.8=34...(27) Violated in 0 structures by 0.00 A. Peak 1988 from cnoeabs.peaks (2.10, 2.17, 35.50 ppm; 2.55 A increased from 2.40 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLU 63 + HG2 GLU 63 OK 96 100 100 96 3.0-3.0 3.0=62, 1970/1.8=29...(21) * HB2 GLU 63 + HG3 GLU 63 OK 95 100 100 95 2.5-2.6 3.0=62, 1969/1.8=30...(21) Violated in 0 structures by 0.00 A. Peak 1989 from cnoeabs.peaks (1.94, 2.17, 35.50 ppm; 2.68 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + HG2 GLU 63 OK 99 100 100 99 2.4-2.6 3.0=72, 1.8/1988=34...(23) * HB3 GLU 63 + HG3 GLU 63 OK 97 100 100 97 2.3-3.0 3.0=72, 1.8/1988=34...(20) HB3 LEU 70 - HG3 GLU 63 far 0 100 0 - 7.7-9.5 HB3 LEU 70 - HG2 GLU 63 far 0 100 0 - 7.8-8.0 HB2 GLU 56 - HG3 GLU 63 far 0 79 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 1990 from cnoeabs.peaks (2.17, 2.17, 35.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HG3 GLU 63 OK 100 100 - 100 HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 Reference assignment not found: HG2 GLU 63 - HG3 GLU 63 Peak 1991 from cnoeabs.peaks (2.17, 2.17, 35.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + HG3 GLU 63 OK 100 100 - 100 HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 Peak 1992 from cnoeabs.peaks (8.85, 2.17, 35.50 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: H ALA 64 + HG2 GLU 63 OK 100 100 100 100 3.3-3.3 6834=100, 6832/3.0=59...(16) ! H ALA 64 - HG3 GLU 63 far 5 100 5 - 3.9-4.4 Violated in 0 structures by 0.00 A. Peak 1993 from cnoeabs.peaks (8.85, 3.99, 55.13 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 64 + HA ALA 64 OK 100 100 100 100 2.8-2.8 3.0=100 H SER 105 - HA ALA 93 far 0 47 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 1994 from cnoeabs.peaks (3.99, 3.99, 55.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 64 + HA ALA 64 OK 100 100 - 100 HA ALA 93 + HA ALA 93 OK 44 44 - 100 Peak 1995 from cnoeabs.peaks (1.38, 3.99, 55.13 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 64 + HA ALA 64 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1996 from cnoeabs.peaks (6.88, 3.99, 55.13 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HA ALA 64 OK 100 100 100 100 3.5-3.6 3.6=100 HZ PHE 104 - HA ALA 93 far 0 41 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 1997 from cnoeabs.peaks (8.54, 3.99, 55.13 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 67 + HA ALA 64 OK 100 100 100 100 3.1-3.2 6869=83, 6881/1998=66...(12) Violated in 0 structures by 0.00 A. Peak 1998 from cnoeabs.peaks (1.81, 3.99, 55.13 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 67 + HA ALA 64 OK 100 100 100 100 2.0-2.1 2099=78, 2.1/8402=52...(14) Violated in 0 structures by 0.00 A. Peak 1999 from cnoeabs.peaks (8.85, 1.38, 18.12 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 64 + QB ALA 64 OK 100 100 100 100 2.1-2.2 6836=100, 6835/2.1=50...(14) Violated in 0 structures by 0.00 A. Peak 2000 from cnoeabs.peaks (3.99, 1.38, 18.12 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 64 + QB ALA 64 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2001 from cnoeabs.peaks (1.38, 1.38, 18.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 64 + QB ALA 64 OK 100 100 - 100 Peak 2002 from cnoeabs.peaks (6.88, 1.38, 18.12 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 65 + QB ALA 64 OK 100 100 100 100 2.5-2.6 6844=100, 6837/6836=62...(9) Violated in 0 structures by 0.00 A. Peak 2003 from cnoeabs.peaks (6.88, 4.55, 57.10 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 65 + HA ASP 65 OK 100 100 100 100 2.7-2.8 3.0=100 HH2 TRP 80 - HA ASP 18 far 0 96 0 - 6.8-8.8 H ASP 65 - HA ASN 68 far 0 40 0 - 7.3-7.3 QD PHE 41 - HA ASP 18 far 0 85 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 2004 from cnoeabs.peaks (4.55, 4.55, 57.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 65 + HA ASP 65 OK 100 100 - 100 HA ASP 18 + HA ASP 18 OK 95 95 - 100 Peak 2005 from cnoeabs.peaks (2.46, 4.55, 57.10 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 65 + HA ASP 65 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 GLN 19 - HA ASP 18 far 0 70 0 - 4.3-5.4 HB3 ASN 20 - HA ASP 18 far 0 95 0 - 6.5-7.5 HB2 ASP 65 - HA ASN 68 far 0 40 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 2006 from cnoeabs.peaks (2.65, 4.55, 57.10 ppm; 3.55 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASP 65 + HA ASP 65 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 GLN 72 - HA ASN 68 far 0 33 0 - 4.8-5.1 HB3 PHE 10 - HA ASP 65 far 0 100 0 - 4.9-5.2 HG3 GLN 72 - HA ASP 65 far 0 93 0 - 8.4-8.8 HB3 ASP 65 - HA ASN 68 far 0 40 0 - 8.6-8.6 HB3 PHE 10 - HA ASN 68 far 0 39 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 2007 from cnoeabs.peaks (7.83, 4.55, 57.10 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 66 + HA ASP 65 OK 100 100 100 100 3.5-3.6 3.6=100 H ARG 66 - HA ASN 68 far 0 40 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 2008 from cnoeabs.peaks (7.59, 4.55, 57.10 ppm; 4.11 A): 2 out of 3 assignments used, quality = 0.97: * H ASN 68 + HA ASP 65 OK 95 100 100 95 4.2-4.3 6891/3.6=51, 9760/4.6=38...(8) H ASN 68 + HA ASN 68 OK 40 40 100 100 2.8-2.8 3.0=100 HE21 GLN 19 - HA ASP 18 poor 18 57 60 54 3.6-5.9 ~10304=26, 10305/3.0=18...(5) Violated in 0 structures by 0.00 A. Peak 2009 from cnoeabs.peaks (3.00, 4.55, 57.10 ppm; 3.23 A): 3 out of 4 assignments used, quality = 0.93: HB3 ASN 68 + HA ASP 65 OK 80 100 100 80 3.5-3.6 6917/10463=24...(8) HB2 ASN 68 + HA ASN 68 OK 40 40 100 100 2.2-2.3 3.0=100 HB3 ASN 68 + HA ASN 68 OK 40 40 100 100 2.9-2.9 3.0=100 ! HB2 ASN 68 - HA ASP 65 far 0 100 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (3.00, 4.55, 57.10 ppm; 3.23 A): 3 out of 4 assignments used, quality = 0.93: * HB3 ASN 68 + HA ASP 65 OK 80 100 100 80 3.5-3.6 6917/10463=24...(8) HB2 ASN 68 + HA ASN 68 OK 40 40 100 100 2.2-2.3 3.0=100 HB3 ASN 68 + HA ASN 68 OK 40 40 100 100 2.9-2.9 3.0=100 HB2 ASN 68 - HA ASP 65 far 0 100 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 2011 from cnoeabs.peaks (6.88, 2.46, 41.26 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 65 + HB2 ASP 65 OK 100 100 100 100 3.1-3.6 6846=100, 6847/1.8=87...(6) HZ PHE 104 - HE2 LYS 98 far 0 55 0 - 6.9-8.7 HZ PHE 104 - HE3 LYS 98 far 0 57 0 - 7.0-8.7 H TRP 60 - HB2 ASP 65 far 0 100 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 2012 from cnoeabs.peaks (4.55, 2.46, 41.26 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 65 + HB2 ASP 65 OK 100 100 100 100 2.2-2.7 3.0=100 HA TYR 39 - HE3 LYS 13 far 0 63 0 - 6.0-8.4 HA ILE 11 - HB2 ASP 65 far 0 88 0 - 7.4-7.7 HA ASN 68 - HB2 ASP 65 far 0 61 0 - 8.4-8.5 HA TRP 60 - HB2 ASP 65 far 0 63 0 - 8.9-9.3 HA ILE 11 - HE3 LYS 13 far 0 63 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 2013 from cnoeabs.peaks (2.46, 2.46, 41.26 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 ASP 65 + HB2 ASP 65 OK 100 100 - 100 HE3 LYS 98 + HE3 LYS 98 OK 69 69 - 100 HE2 LYS 98 + HE2 LYS 98 OK 65 65 - 100 HE3 LYS 13 + HE3 LYS 13 OK 56 56 - 100 Peak 2014 from cnoeabs.peaks (2.65, 2.46, 41.26 ppm; 2.98 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASP 65 + HB2 ASP 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 10 - HB2 ASP 65 far 0 100 0 - 4.0-4.8 HB2 ASP 82 - HE2 LYS 98 far 0 52 0 - 6.8-9.7 HB2 ASP 82 - HE3 LYS 98 far 0 53 0 - 6.9-8.7 HG3 GLN 72 - HB2 ASP 65 far 0 93 0 - 9.8-10.3 HB3 PHE 10 - HE3 LYS 13 far 0 76 0 - 10.0-11.7 HB2 PHE 40 - HE3 LYS 13 far 0 75 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2015 from cnoeabs.peaks (7.83, 2.46, 41.26 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 66 + HB2 ASP 65 OK 100 100 100 100 3.4-4.1 6856=100, 6857/1.8=88...(5) H THR 37 - HE3 LYS 13 far 0 73 0 - 6.4-9.3 Violated in 0 structures by 0.00 A. Peak 2016 from cnoeabs.peaks (6.88, 2.65, 41.26 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 65 + HB3 ASP 65 OK 100 100 100 100 2.1-2.5 6847=100, 6846/1.8=79...(9) QD PHE 41 - HB2 PHE 40 far 0 77 0 - 5.6-6.7 H ASP 65 - HB3 PHE 10 far 0 73 0 - 7.2-7.4 H TRP 60 - HB3 ASP 65 far 0 100 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 2017 from cnoeabs.peaks (4.55, 2.65, 41.26 ppm; 3.63 A): 1 out of 9 assignments used, quality = 1.00: * HA ASP 65 + HB3 ASP 65 OK 100 100 100 100 2.9-3.0 3.0=100 HA ILE 11 - HB3 PHE 10 far 0 58 0 - 4.4-4.4 HA TYR 39 - HB2 PHE 40 far 0 73 0 - 4.5-4.7 HA ASP 65 - HB3 PHE 10 far 0 73 0 - 4.9-5.2 HA ALA 45 - HB2 PHE 40 far 0 54 0 - 7.9-8.5 HA TRP 60 - HB3 ASP 65 far 0 63 0 - 8.2-8.6 HA ASN 68 - HB3 ASP 65 far 0 61 0 - 8.6-8.6 HA ILE 11 - HB3 ASP 65 far 0 88 0 - 8.9-9.2 HA ASN 68 - HB3 PHE 10 far 0 37 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 2018 from cnoeabs.peaks (2.46, 2.65, 41.26 ppm; 3.08 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASP 65 + HB3 ASP 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 65 - HB3 PHE 10 far 0 73 0 - 4.0-4.8 HE2 LYS 98 - HB2 ASP 82 far 0 42 0 - 6.8-9.7 HE3 LYS 98 - HB2 ASP 82 far 0 44 0 - 6.9-8.7 HG3 GLN 49 - HB2 PHE 40 far 0 88 0 - 7.9-8.7 HB2 ASP 53 - HB2 PHE 40 far 0 71 0 - 9.3-10.5 HB3 ASN 20 - HB2 PHE 40 far 0 87 0 - 10.0-11.1 HE3 LYS 13 - HB3 PHE 10 far 0 51 0 - 10.0-11.7 HE3 LYS 13 - HB2 PHE 40 far 0 65 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2019 from cnoeabs.peaks (2.65, 2.65, 41.26 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + HB3 ASP 65 OK 100 100 - 100 HB2 PHE 40 + HB2 PHE 40 OK 86 86 - 100 HB3 PHE 10 + HB3 PHE 10 OK 71 71 - 100 HB2 ASP 82 + HB2 ASP 82 OK 33 33 - 100 Peak 2020 from cnoeabs.peaks (7.83, 2.65, 41.26 ppm; 4.46 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 66 + HB3 ASP 65 OK 100 100 100 100 2.7-2.9 6857=100, 6856/1.8=92...(8) H ALA 47 - HB2 PHE 40 poor 14 69 20 - 4.9-5.5 H ARG 66 - HB3 PHE 10 far 0 73 0 - 6.4-6.7 H THR 37 - HB3 PHE 10 far 0 68 0 - 7.1-7.3 H THR 37 - HB2 PHE 40 far 0 84 0 - 9.0-9.7 HE22 GLN 49 - HB2 PHE 40 far 0 89 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 2021 from cnoeabs.peaks (7.83, 3.46, 59.73 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 66 + HA ARG 66 OK 100 100 100 100 2.9-2.9 3.0=100 H THR 37 - HA ARG 66 far 0 98 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 2022 from cnoeabs.peaks (3.46, 3.46, 59.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 66 + HA ARG 66 OK 100 100 - 100 Peak 2023 from cnoeabs.peaks (1.59, 3.46, 59.73 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 LEU 55 + HA ARG 66 OK 56 96 60 96 3.8-4.3 1.8/8420=31, 3.1/9495=29...(27) HG13 ILE 67 - HA ARG 66 far 0 99 0 - 5.7-6.0 QB ALA 62 - HA ARG 66 far 0 98 0 - 6.1-6.5 HB2 LEU 70 - HA ARG 66 far 0 95 0 - 6.1-6.7 HG LEU 36 - HA ARG 66 far 0 88 0 - 7.7-8.0 HD2 LYS 58 - HA ARG 66 far 0 73 0 - 7.9-8.9 HB3 LYS 58 - HA ARG 66 far 0 65 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 2024 from cnoeabs.peaks (1.71, 3.46, 59.73 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 66 + HA ARG 66 OK 100 100 100 100 2.7-2.9 3.0=100 HG LEU 55 - HA ARG 66 far 4 79 5 - 4.3-4.7 HB VAL 25 - HA ARG 66 far 0 100 0 - 6.2-6.6 HB3 LEU 36 - HA ARG 66 far 0 73 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (1.29, 3.46, 59.73 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 66 + HA ARG 66 OK 100 100 100 100 3.4-3.9 3.8=100 HB ILE 61 - HA ARG 66 far 0 94 0 - 6.5-6.9 HG12 ILE 28 - HA ARG 66 far 0 91 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2026 from cnoeabs.peaks (1.13, 3.46, 59.73 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + HA ARG 66 OK 100 100 100 100 3.0-3.8 3.8=100 HG LEU 51 - HA ARG 66 far 0 91 0 - 5.3-5.9 QD1 LEU 36 - HA ARG 66 far 0 94 0 - 7.6-7.9 HD3 LYS 52 - HA ARG 66 far 0 84 0 - 7.8-9.5 HB2 LEU 51 - HA ARG 66 far 0 81 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 2029 from cnoeabs.peaks (8.54, 3.46, 59.73 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 67 + HA ARG 66 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 56 - HA ARG 66 far 0 100 0 - 6.3-6.7 H ILE 28 - HA ARG 66 far 0 91 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 2030 from cnoeabs.peaks (7.68, 3.46, 59.73 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 69 + HA ARG 66 OK 100 100 100 100 3.8-4.0 6921=100, 2188/8454=85...(8) H LEU 51 - HA ARG 66 far 0 98 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 2031 from cnoeabs.peaks (1.97, 3.46, 59.73 ppm; 4.89 A increased from 4.34 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 69 + HA ARG 66 OK 100 100 100 100 4.6-4.7 2175=100, 2.1/8454=97...(10) HB3 LEU 70 + HA ARG 66 OK 76 88 100 86 4.9-5.4 3.1/8421=42...(10) HB2 GLU 54 - HA ARG 66 far 0 96 0 - 7.9-8.2 HB3 GLU 63 - HA ARG 66 far 0 79 0 - 8.1-8.3 HB2 GLN 27 - HA ARG 66 far 0 100 0 - 8.4-8.8 HB3 GLN 27 - HA ARG 66 far 0 100 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 2032 from cnoeabs.peaks (3.67, 1.59, 29.68 ppm; 4.22 A): 1 out of 5 assignments used, quality = 0.35: HA LEU 55 + HB3 LYS 58 OK 35 37 100 93 3.2-4.1 9564/3.0=39...(14) HA LEU 55 - HB2 ARG 66 far 0 70 0 - 4.9-5.4 ! HA GLU 63 - HB2 ARG 66 far 0 100 0 - 5.1-5.3 HB3 PHE 79 - HG13 ILE 77 far 0 77 0 - 7.1-7.4 HA GLU 63 - HB3 LYS 58 far 0 64 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 2033 from cnoeabs.peaks (7.83, 1.59, 29.68 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 66 + HB2 ARG 66 OK 100 100 100 100 3.4-3.6 3.9=90, 6860/1.8=87...(12) H ALA 47 - HG13 ILE 77 far 0 59 0 - 7.1-7.4 H ARG 66 - HB3 LYS 58 far 0 64 0 - 8.5-9.2 H THR 37 - HB3 LYS 58 far 0 60 0 - 9.5-10.1 HE22 GLN 49 - HB2 ARG 66 far 0 100 0 - 9.8-10.7 H THR 37 - HB2 ARG 66 far 0 98 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 2034 from cnoeabs.peaks (3.46, 1.59, 29.68 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 TRP 80 - HG13 ILE 77 far 0 71 0 - 5.5-5.7 HA LEU 51 - HB2 ARG 66 far 0 98 0 - 7.5-8.0 HA ARG 66 - HB3 LYS 58 far 0 64 0 - 8.3-9.2 HA GLN 49 - HB2 ARG 66 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 2035 from cnoeabs.peaks (1.59, 1.59, 29.68 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 66 + HB2 ARG 66 OK 100 100 - 100 HG13 ILE 77 + HG13 ILE 77 OK 71 71 - 100 HB3 LYS 58 + HB3 LYS 58 OK 35 35 - 100 Peak 2036 from cnoeabs.peaks (1.71, 1.59, 29.68 ppm; 3.25 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 55 + HB2 ARG 66 OK 57 79 75 97 3.5-3.9 3.0/1673=21, 2.1/1689=19...(36) HG12 ILE 23 - HG13 ILE 77 far 0 77 0 - 5.9-6.1 HG LEU 55 - HB3 LYS 58 far 0 44 0 - 6.7-7.5 HB3 ARG 66 - HB3 LYS 58 far 0 64 0 - 6.8-9.5 HB VAL 25 - HB2 ARG 66 far 0 100 0 - 6.9-7.4 HB3 LEU 36 - HB3 LYS 58 far 0 40 0 - 7.9-8.4 HB3 LEU 36 - HB2 ARG 66 far 0 73 0 - 8.5-8.8 HB VAL 25 - HB3 LYS 58 far 0 63 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2037 from cnoeabs.peaks (1.29, 1.59, 29.68 ppm; 4.29 A): 3 out of 6 assignments used, quality = 1.00: * HG2 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 58 + HB3 LYS 58 OK 62 62 100 100 2.7-2.8 3.0=100 HB ILE 61 + HB3 LYS 58 OK 56 56 100 100 2.8-4.2 3.2/8377=70, 9619=57...(22) HB ILE 61 - HB2 ARG 66 far 0 94 0 - 5.4-5.9 HG2 ARG 66 - HB3 LYS 58 far 0 64 0 - 8.4-10.1 HG2 LYS 58 - HB2 ARG 66 far 0 99 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 2038 from cnoeabs.peaks (1.13, 1.59, 29.68 ppm; 4.92 A): 2 out of 10 assignments used, quality = 1.00: * HG3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.5-3.0 2.9=100 QD1 LEU 36 + HB3 LYS 58 OK 56 56 100 100 4.2-4.6 10871/3.6=80...(10) HG LEU 51 - HB2 ARG 66 poor 12 91 40 33 5.1-5.8 10429/9705=11...(5) HB VAL 14 - HG13 ILE 77 far 0 76 0 - 6.8-7.2 HD3 LYS 52 - HB2 ARG 66 far 0 84 0 - 6.8-8.4 HG3 ARG 66 - HB3 LYS 58 far 0 64 0 - 7.3-9.7 QD1 LEU 36 - HB2 ARG 66 far 0 94 0 - 7.5-8.0 HB2 LEU 51 - HB2 ARG 66 far 0 81 0 - 7.7-8.5 HB2 LEU 51 - HG13 ILE 77 far 0 56 0 - 7.9-8.5 HG LEU 51 - HG13 ILE 77 far 0 65 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 2041 from cnoeabs.peaks (8.54, 1.59, 29.68 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 67 + HB2 ARG 66 OK 100 100 100 100 4.1-4.2 4.7=100 H GLU 56 + HB2 ARG 66 OK 98 100 100 98 4.2-4.8 ~9525=35, ~9526=34...(16) H GLU 56 - HB3 LYS 58 far 0 64 0 - 5.6-6.3 H VAL 14 - HG13 ILE 77 far 0 78 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 2042 from cnoeabs.peaks (3.67, 1.71, 29.68 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 63 + HB3 ARG 66 OK 100 100 100 100 3.8-4.1 1964=100, 6851/6860=62...(9) HA LEU 55 - HB3 ARG 66 far 0 70 0 - 5.4-7.0 Violated in 0 structures by 0.00 A. Peak 2043 from cnoeabs.peaks (7.83, 1.71, 29.68 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.3-3.2 6860=100, 2033/1.8=73...(13) HE22 GLN 49 - HB3 ARG 66 far 0 100 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 2044 from cnoeabs.peaks (3.46, 1.71, 29.68 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.7-2.9 3.0=100 HA LEU 51 - HB3 ARG 66 far 0 98 0 - 8.9-9.7 HA GLN 49 - HB3 ARG 66 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 2045 from cnoeabs.peaks (1.59, 1.71, 29.68 ppm; 3.08 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 55 + HB3 ARG 66 OK 64 96 70 95 3.2-4.3 ~1673=17, 2072/3.4=15...(38) HG13 ILE 67 - HB3 ARG 66 far 0 99 0 - 4.3-5.1 QB ALA 62 - HB3 ARG 66 far 0 98 0 - 5.0-6.7 HB2 LEU 70 - HB3 ARG 66 far 0 95 0 - 5.8-8.1 HB3 LYS 58 - HB3 ARG 66 far 0 65 0 - 6.8-9.5 HD2 LYS 58 - HB3 ARG 66 far 0 73 0 - 7.1-9.8 HG LEU 36 - HB3 ARG 66 far 0 88 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 2046 from cnoeabs.peaks (1.71, 1.71, 29.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 66 + HB3 ARG 66 OK 100 100 - 100 Peak 2047 from cnoeabs.peaks (1.29, 1.71, 29.68 ppm; 4.51 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.3-3.0 2.9=100 HB ILE 61 + HB3 ARG 66 OK 80 94 85 100 4.5-6.3 2.1/8370=51, ~9713=46...(17) HG2 LYS 58 - HB3 ARG 66 far 0 99 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (1.13, 1.71, 29.68 ppm; 4.57 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 51 - HB3 ARG 66 far 0 91 0 - 6.1-7.5 HD3 LYS 52 - HB3 ARG 66 far 0 84 0 - 6.4-9.9 QD1 LEU 36 - HB3 ARG 66 far 0 94 0 - 7.7-9.3 HB2 LEU 51 - HB3 ARG 66 far 0 81 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 2050 from cnoeabs.peaks (2.90, 1.71, 29.68 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.3-3.7 3.4=100 Violated in 0 structures by 0.00 A. Peak 2051 from cnoeabs.peaks (8.54, 1.71, 29.68 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 67 + HB3 ARG 66 OK 100 100 100 100 2.8-3.6 6875=100, 6865/6860=70...(13) H GLU 56 - HB3 ARG 66 far 0 100 0 - 5.1-6.0 Violated in 0 structures by 0.00 A. Peak 2052 from cnoeabs.peaks (7.83, 1.29, 28.16 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.1-4.0 6861=100, 6860/2.9=85...(12) HE22 GLN 49 - HG2 ARG 66 far 0 100 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 2053 from cnoeabs.peaks (3.46, 1.29, 28.16 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 66 + HG2 ARG 66 OK 100 100 100 100 3.4-3.9 3.8=100 HA GLN 49 - HG2 ARG 66 far 0 100 0 - 8.6-11.4 HA LEU 51 - HG2 ARG 66 far 0 98 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2054 from cnoeabs.peaks (1.59, 1.29, 28.16 ppm; 3.13 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.4-3.0 2.9=100 HG13 ILE 67 - HG2 ARG 66 far 0 99 0 - 3.8-4.3 HB2 LEU 55 - HG2 ARG 66 far 0 96 0 - 4.1-4.9 QB ALA 62 - HG2 ARG 66 far 0 98 0 - 4.8-7.3 HB2 LEU 70 - HG2 ARG 66 far 0 95 0 - 5.4-8.1 HB3 LYS 58 - HG2 ARG 66 far 0 65 0 - 8.4-10.1 HD2 LYS 58 - HG2 ARG 66 far 0 73 0 - 9.0-10.2 HG LEU 36 - HG2 ARG 66 far 0 88 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2055 from cnoeabs.peaks (1.71, 1.29, 28.16 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 55 - HG2 ARG 66 far 0 79 0 - 5.4-6.8 HB VAL 25 - HG2 ARG 66 far 0 100 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 2056 from cnoeabs.peaks (1.29, 1.29, 28.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 66 + HG2 ARG 66 OK 100 100 - 100 Peak 2057 from cnoeabs.peaks (1.13, 1.29, 28.16 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 51 - HG2 ARG 66 far 0 91 0 - 5.8-8.3 HD3 LYS 52 - HG2 ARG 66 far 0 84 0 - 6.0-9.6 HB2 LEU 51 - HG2 ARG 66 far 0 81 0 - 8.4-11.1 QD1 LEU 36 - HG2 ARG 66 far 0 94 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 2058 from cnoeabs.peaks (2.79, 1.29, 28.16 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HE3 LYS 52 - HG2 ARG 66 far 0 99 0 - 5.5-9.4 HB2 PHE 10 - HG2 ARG 66 far 0 85 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 2059 from cnoeabs.peaks (2.90, 1.29, 28.16 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 Violated in 0 structures by 0.00 A. Peak 2060 from cnoeabs.peaks (8.54, 1.29, 28.16 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 67 + HG2 ARG 66 OK 100 100 100 100 2.9-3.4 6876=100, 2132/11166=81...(13) H GLU 56 - HG2 ARG 66 far 0 100 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 2061 from cnoeabs.peaks (7.83, 1.13, 28.16 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + HG3 ARG 66 OK 100 100 100 100 1.9-2.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 2062 from cnoeabs.peaks (3.46, 1.13, 28.16 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 66 + HG3 ARG 66 OK 100 100 100 100 3.0-3.8 3.8=100 HA ALA 95 - HD3 LYS 98 far 0 48 0 - 4.9-5.8 HB3 TRP 80 - HD3 LYS 98 far 0 49 0 - 9.7-11.4 HA LEU 51 - HG3 ARG 66 far 0 98 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2063 from cnoeabs.peaks (1.59, 1.13, 28.16 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.5-3.0 2.9=100 HG13 ILE 67 + HG3 ARG 66 OK 83 99 85 98 2.7-5.5 2.1/8428=72, ~11166=51...(11) HB2 LEU 55 - HG3 ARG 66 far 14 96 15 - 3.7-5.3 QB ALA 62 - HG3 ARG 66 far 0 98 0 - 4.5-5.9 HB2 LEU 70 - HG3 ARG 66 far 0 95 0 - 6.7-8.6 HB3 LYS 58 - HG3 ARG 66 far 0 65 0 - 7.3-9.7 HD2 LYS 58 - HG3 ARG 66 far 0 73 0 - 7.6-10.1 HG LEU 36 - HG3 ARG 66 far 0 88 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 2064 from cnoeabs.peaks (1.71, 1.13, 28.16 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 55 - HG3 ARG 66 far 0 79 0 - 5.5-6.9 HB VAL 25 - HG3 ARG 66 far 0 100 0 - 8.6-10.0 HB3 LEU 36 - HG3 ARG 66 far 0 73 0 - 9.2-11.5 HB2 GLN 96 - HD3 LYS 98 far 0 53 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 2065 from cnoeabs.peaks (1.29, 1.13, 28.16 ppm; 3.05 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 98 + HD3 LYS 98 OK 39 47 90 92 2.3-4.2 3.5=66, 3.0/2693=24...(14) HB ILE 61 - HG3 ARG 66 far 0 94 0 - 3.8-6.8 HG3 LYS 88 - HD3 LYS 98 far 0 36 0 - 9.1-13.1 HG2 LYS 58 - HG3 ARG 66 far 0 99 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (1.13, 1.13, 28.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 66 + HG3 ARG 66 OK 100 100 - 100 HD3 LYS 98 + HD3 LYS 98 OK 47 47 - 100 Peak 2067 from cnoeabs.peaks (2.79, 1.13, 28.16 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HB2 PHE 10 - HG3 ARG 66 far 0 85 0 - 6.2-8.1 HE3 LYS 52 - HG3 ARG 66 far 0 99 0 - 7.0-10.0 Violated in 0 structures by 0.00 A. Peak 2068 from cnoeabs.peaks (2.90, 1.13, 28.16 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.4-3.0 2.8=100 HE3 LYS 88 - HD3 LYS 98 far 0 45 0 - 7.2-12.2 HB3 ASP 82 - HD3 LYS 98 far 0 30 0 - 8.1-10.5 HE2 LYS 88 - HD3 LYS 98 far 0 41 0 - 8.3-12.2 HB3 ASN 78 - HD3 LYS 98 far 0 55 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 2069 from cnoeabs.peaks (8.54, 1.13, 28.16 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 67 + HG3 ARG 66 OK 100 100 100 100 2.2-3.8 6877=100, 6876/1.8=97...(15) H GLU 56 - HG3 ARG 66 far 0 100 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 2072 from cnoeabs.peaks (1.59, 2.79, 42.68 ppm; 4.16 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.4-3.3 3.4=100 HB2 LEU 55 + HD2 ARG 66 OK 96 96 100 100 2.4-4.4 1.8/9714=44, 2081/1.8=33...(37) HG13 ILE 67 - HD2 ARG 66 far 10 99 10 - 4.6-7.1 QB ALA 62 - HD2 ARG 66 far 0 98 0 - 5.5-7.5 HB3 LYS 58 - HD2 ARG 66 far 0 65 0 - 5.7-8.3 HD2 LYS 58 - HD2 ARG 66 far 0 73 0 - 6.3-9.4 HB2 LEU 70 - HD2 ARG 66 far 0 95 0 - 7.0-9.4 HG LEU 36 - HD2 ARG 66 far 0 88 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 2073 from cnoeabs.peaks (1.71, 2.79, 42.68 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.3-3.9 3.4=100 HG LEU 55 + HD2 ARG 66 OK 35 79 45 100 4.7-6.6 3.0/9714=44, 2.1/9715=39...(32) HB VAL 25 - HD2 ARG 66 far 0 100 0 - 8.7-10.5 HB3 LEU 36 - HD2 ARG 66 far 0 73 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 2074 from cnoeabs.peaks (1.29, 2.79, 42.68 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HB ILE 61 + HD2 ARG 66 OK 23 94 25 98 2.6-6.3 2.1/9716=56, ~9719=43...(15) HG2 LYS 58 - HD2 ARG 66 far 0 99 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 2075 from cnoeabs.peaks (1.13, 2.79, 42.68 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HD3 LYS 52 - HD2 ARG 66 far 0 84 0 - 6.2-9.6 HG LEU 51 - HD2 ARG 66 far 0 91 0 - 6.4-8.3 QD1 LEU 36 - HD2 ARG 66 far 0 94 0 - 7.0-9.7 HB2 LEU 51 - HD2 ARG 66 far 0 81 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 2076 from cnoeabs.peaks (2.79, 2.79, 42.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 66 + HD2 ARG 66 OK 100 100 - 100 Peak 2077 from cnoeabs.peaks (2.90, 2.79, 42.68 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2078 from cnoeabs.peaks (8.54, 2.79, 42.68 ppm; 5.52 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 67 + HD2 ARG 66 OK 100 100 100 100 4.6-5.7 6876/2.8=92, 6875/3.4=91...(11) H GLU 56 + HD2 ARG 66 OK 100 100 100 100 3.7-5.3 3.0/9525=90, ~9526=67...(17) Violated in 0 structures by 0.00 A. Peak 2081 from cnoeabs.peaks (1.59, 2.90, 42.68 ppm; 3.69 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.0-3.7 3.4=100 HB2 LEU 55 + HD3 ARG 66 OK 62 96 65 98 2.0-4.7 2072/1.8=30, ~9714=24...(35) HG13 ILE 67 - HD3 ARG 66 far 0 99 0 - 4.4-6.7 QB ALA 62 - HD3 ARG 66 far 0 98 0 - 5.8-7.7 HB3 LYS 58 - HD3 ARG 66 far 0 65 0 - 6.5-8.7 HB2 LEU 70 - HD3 ARG 66 far 0 95 0 - 6.9-8.5 HD2 LYS 58 - HD3 ARG 66 far 0 73 0 - 7.2-9.9 HG LEU 36 - HD3 ARG 66 far 0 88 0 - 8.0-10.9 Violated in 0 structures by 0.00 A. Peak 2082 from cnoeabs.peaks (1.71, 2.90, 42.68 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.3-3.7 3.4=100 HG LEU 55 - HD3 ARG 66 far 12 79 15 - 4.3-6.7 HB VAL 25 - HD3 ARG 66 far 0 100 0 - 8.4-10.7 HB3 LEU 36 - HD3 ARG 66 far 0 73 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 2083 from cnoeabs.peaks (1.29, 2.90, 42.68 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HB ILE 61 - HD3 ARG 66 far 5 94 5 - 3.8-6.6 HG2 LYS 58 - HD3 ARG 66 far 0 99 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 2084 from cnoeabs.peaks (1.13, 2.90, 42.68 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.4-3.0 2.8=100 HG LEU 51 - HD3 ARG 66 far 0 91 0 - 6.3-8.6 HD3 LYS 52 - HD3 ARG 66 far 0 84 0 - 6.6-8.5 QD1 LEU 36 - HD3 ARG 66 far 0 94 0 - 7.7-10.2 HB2 LEU 51 - HD3 ARG 66 far 0 81 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 2085 from cnoeabs.peaks (2.79, 2.90, 42.68 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 52 - HD3 ARG 66 far 0 99 0 - 5.2-8.0 HB2 PHE 10 - HD3 ARG 66 far 0 85 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. Peak 2086 from cnoeabs.peaks (2.90, 2.90, 42.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 66 + HD3 ARG 66 OK 100 100 - 100 Peak 2087 from cnoeabs.peaks (8.54, 2.90, 42.68 ppm; 5.44 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 67 + HD3 ARG 66 OK 100 100 100 100 4.4-5.4 6876/2.8=91, 6875/3.4=90...(10) H GLU 56 + HD3 ARG 66 OK 100 100 100 100 3.5-5.3 6725/9522=87...(16) Violated in 0 structures by 0.00 A. Peak 2088 from cnoeabs.peaks (8.54, 3.56, 64.10 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 67 + HA ILE 67 OK 100 100 100 100 2.8-2.8 3.0=100 H GLU 56 - HA ILE 67 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 2089 from cnoeabs.peaks (3.56, 3.56, 64.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 67 + HA ILE 67 OK 100 100 - 100 Peak 2090 from cnoeabs.peaks (1.81, 3.56, 64.10 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 67 + HA ILE 67 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 56 - HA ILE 67 far 0 91 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 2091 from cnoeabs.peaks (0.90, 3.56, 64.10 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 67 + HA ILE 67 OK 100 100 100 100 2.3-2.4 2109=100, 2135/2133=54...(23) HG3 LYS 52 - HA ILE 67 far 0 57 0 - 5.7-8.8 QG1 VAL 69 - HA ILE 67 far 0 99 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 2092 from cnoeabs.peaks (1.25, 3.56, 64.10 ppm; 3.65 A increased from 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 67 + HA ILE 67 OK 100 100 100 100 3.4-3.5 2117=100, 1.8/2125=81...(18) HD2 LYS 52 - HA ILE 67 far 0 100 0 - 7.1-8.9 HB ILE 61 - HA ILE 67 far 0 85 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (1.60, 3.56, 64.10 ppm; 3.46 A increased from 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 67 + HA ILE 67 OK 100 100 100 100 3.3-3.5 2125=100, 2.1/2133=74...(19) HB2 LEU 70 - HA ILE 67 far 0 99 0 - 4.2-4.3 HB2 ARG 66 - HA ILE 67 far 0 99 0 - 5.0-5.3 HB2 LEU 55 - HA ILE 67 far 0 100 0 - 7.1-7.8 QB ALA 62 - HA ILE 67 far 0 90 0 - 7.8-8.0 Violated in 3 structures by 0.01 A. Peak 2094 from cnoeabs.peaks (0.80, 3.56, 64.10 ppm; 3.35 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 67 + HA ILE 67 OK 100 100 100 100 1.8-1.9 2133=100, 2135/2109=66...(21) QG2 VAL 69 - HA ILE 67 far 0 90 0 - 4.1-4.3 HG2 LYS 52 - HA ILE 67 far 0 99 0 - 6.0-8.8 HB3 LEU 55 - HA ILE 67 far 0 73 0 - 7.8-8.5 QD2 LEU 36 - HA ILE 67 far 0 99 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 2095 from cnoeabs.peaks (7.59, 3.56, 64.10 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 68 + HA ILE 67 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2096 from cnoeabs.peaks (8.17, 3.56, 64.10 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HA ILE 67 OK 100 100 100 100 3.6-3.7 6938=100, 6948/2098=63...(9) Violated in 0 structures by 0.00 A. Peak 2097 from cnoeabs.peaks (1.61, 3.56, 64.10 ppm; 3.46 A increased from 3.25 A): 1 out of 5 assignments used, quality = 0.99: HG13 ILE 67 + HA ILE 67 OK 99 99 100 100 3.3-3.5 2125=99, 2.1/2133=74...(19) ! HB2 LEU 70 - HA ILE 67 far 0 100 0 - 4.2-4.3 HB2 ARG 66 - HA ILE 67 far 0 95 0 - 5.0-5.3 HB2 LEU 55 - HA ILE 67 far 0 100 0 - 7.1-7.8 QB ALA 62 - HA ILE 67 far 0 77 0 - 7.8-8.0 Violated in 3 structures by 0.01 A. Peak 2098 from cnoeabs.peaks (1.95, 3.56, 64.10 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + HA ILE 67 OK 100 100 100 100 2.6-2.7 2213=65, 3.1/8426=58...(11) HB VAL 69 - HA ILE 67 far 0 88 0 - 7.0-7.2 HB3 GLU 63 - HA ILE 67 far 0 100 0 - 7.2-7.3 HB2 GLU 56 - HA ILE 67 far 0 68 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 2099 from cnoeabs.peaks (3.99, 1.81, 37.34 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 64 + HB ILE 67 OK 100 100 100 100 2.0-2.1 1998=100, 8402/2.1=62...(14) Violated in 0 structures by 0.00 A. Peak 2100 from cnoeabs.peaks (8.54, 1.81, 37.34 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 67 + HB ILE 67 OK 100 100 100 100 2.4-2.6 6881=100, 6874/3.0=54...(22) Violated in 0 structures by 0.00 A. Peak 2101 from cnoeabs.peaks (3.56, 1.81, 37.34 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 67 + HB ILE 67 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2102 from cnoeabs.peaks (1.81, 1.81, 37.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 67 + HB ILE 67 OK 100 100 - 100 Peak 2103 from cnoeabs.peaks (0.90, 1.81, 37.34 ppm; 2.90 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 67 + HB ILE 67 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 69 - HB ILE 67 far 0 99 0 - 6.2-6.3 HG3 LYS 52 - HB ILE 67 far 0 57 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. Peak 2104 from cnoeabs.peaks (1.25, 1.81, 37.34 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 67 + HB ILE 67 OK 100 100 100 100 2.6-2.7 3.0=100 HB ILE 61 - HB ILE 67 far 0 85 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2105 from cnoeabs.peaks (1.60, 1.81, 37.34 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 67 + HB ILE 67 OK 100 100 100 100 2.3-2.3 3.0=100 QB ALA 62 - HB ILE 67 far 0 90 0 - 6.4-6.5 HB2 ARG 66 - HB ILE 67 far 0 99 0 - 6.5-6.7 HB2 LEU 70 - HB ILE 67 far 0 99 0 - 7.1-7.2 HB2 LEU 55 - HB ILE 67 far 0 100 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 2106 from cnoeabs.peaks (0.80, 1.81, 37.34 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 67 + HB ILE 67 OK 100 100 100 100 3.1-3.2 3.2=100 QG2 VAL 69 - HB ILE 67 far 0 90 0 - 5.3-5.4 HG2 LYS 52 - HB ILE 67 far 0 99 0 - 8.9-11.6 HB3 LEU 55 - HB ILE 67 far 0 73 0 - 8.9-9.4 QD2 LEU 36 - HB ILE 67 far 0 99 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 2107 from cnoeabs.peaks (7.59, 1.81, 37.34 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 68 + HB ILE 67 OK 100 100 100 100 2.3-2.4 6895=100, 6896/2.1=73...(13) Violated in 0 structures by 0.00 A. Peak 2108 from cnoeabs.peaks (8.54, 0.90, 17.00 ppm; 3.79 A increased from 3.37 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 67 + QG2 ILE 67 OK 100 100 100 100 3.7-3.8 6882=100, 6881/2.1=86...(22) H GLU 56 - QG2 ILE 67 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 2109 from cnoeabs.peaks (3.56, 0.90, 17.00 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 67 + QG2 ILE 67 OK 100 100 100 100 2.3-2.4 2091=92, 2133/2114=51...(23) HA THR 74 - QG2 ILE 67 far 0 94 0 - 9.2-9.4 HA GLU 56 - QG2 ILE 67 far 0 94 0 - 9.5-10.3 HA TRP 48 - QG2 ILE 67 far 0 94 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2110 from cnoeabs.peaks (1.81, 0.90, 17.00 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 67 + QG2 ILE 67 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2111 from cnoeabs.peaks (0.90, 0.90, 17.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 67 + QG2 ILE 67 OK 100 100 - 100 Peak 2112 from cnoeabs.peaks (1.25, 0.90, 17.00 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 67 + QG2 ILE 67 OK 100 100 100 100 1.9-2.0 2119=96, 2.1/2114=72...(21) HD2 LYS 52 - QG2 ILE 67 far 0 100 0 - 7.7-9.4 HB ILE 61 - QG2 ILE 67 far 0 85 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 2113 from cnoeabs.peaks (1.60, 0.90, 17.00 ppm; 3.23 A increased from 3.04 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 67 + QG2 ILE 67 OK 100 100 100 100 3.0-3.1 3.2=100 HB2 LEU 70 - QG2 ILE 67 far 0 99 0 - 4.9-5.2 HB2 ARG 66 - QG2 ILE 67 far 0 99 0 - 6.5-6.7 QB ALA 62 - QG2 ILE 67 far 0 90 0 - 7.0-7.1 HB2 LEU 55 - QG2 ILE 67 far 0 100 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 2114 from cnoeabs.peaks (0.80, 0.90, 17.00 ppm; 2.55 A increased from 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 67 + QG2 ILE 67 OK 100 100 100 100 2.4-2.7 2135=100, 2.1/2112=45...(21) QG2 VAL 69 - QG2 ILE 67 far 0 90 0 - 5.0-5.3 HG2 LYS 52 - QG2 ILE 67 far 0 99 0 - 7.1-9.5 HB3 LEU 55 - QG2 ILE 67 far 0 73 0 - 8.8-9.3 QG2 VAL 102 - QG2 ILE 67 far 0 61 0 - 8.9-9.1 QD2 LEU 36 - QG2 ILE 67 far 0 99 0 - 9.3-9.6 Violated in 3 structures by 0.02 A. Peak 2115 from cnoeabs.peaks (7.59, 0.90, 17.00 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 68 + QG2 ILE 67 OK 100 100 100 100 3.1-3.3 6896=100, 6895/2.1=75...(14) Violated in 0 structures by 0.00 A. Peak 2116 from cnoeabs.peaks (8.54, 1.25, 28.69 ppm; 3.96 A increased from 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 67 + HG12 ILE 67 OK 100 100 100 100 3.8-3.9 6883=96, 6874/1.8=95...(20) Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (3.56, 1.25, 28.69 ppm; 3.52 A increased from 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 67 + HG12 ILE 67 OK 100 100 100 100 3.4-3.5 2092=90, 2125/1.8=77...(18) HA GLU 56 - HG12 ILE 67 far 0 94 0 - 9.6-10.5 Violated in 3 structures by 0.00 A. Peak 2118 from cnoeabs.peaks (1.81, 1.25, 28.69 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 67 + HG12 ILE 67 OK 100 100 100 100 2.6-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2119 from cnoeabs.peaks (0.90, 1.25, 28.69 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 67 + HG12 ILE 67 OK 100 100 100 100 1.9-2.0 2112=100, 2135/2.1=74...(21) HG3 LYS 52 - HG12 ILE 67 far 0 57 0 - 7.9-10.8 QG1 VAL 69 - HG12 ILE 67 far 0 99 0 - 8.1-8.2 Violated in 0 structures by 0.00 A. Peak 2120 from cnoeabs.peaks (1.25, 1.25, 28.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 67 + HG12 ILE 67 OK 100 100 - 100 Peak 2121 from cnoeabs.peaks (1.60, 1.25, 28.69 ppm; 2.53 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 67 + HG12 ILE 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 66 - HG12 ILE 67 far 0 99 0 - 7.0-7.1 QB ALA 62 - HG12 ILE 67 far 0 90 0 - 7.3-7.4 HB2 LEU 70 - HG12 ILE 67 far 0 99 0 - 7.3-7.5 HB2 LEU 55 - HG12 ILE 67 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 2122 from cnoeabs.peaks (0.80, 1.25, 28.69 ppm; 2.77 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 67 + HG12 ILE 67 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 69 - HG12 ILE 67 far 0 90 0 - 6.7-6.8 HG2 LYS 52 - HG12 ILE 67 far 0 99 0 - 8.5-11.0 HB3 LEU 55 - HG12 ILE 67 far 0 73 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 2123 from cnoeabs.peaks (7.59, 1.25, 28.69 ppm; 5.10 A increased from 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 68 + HG12 ILE 67 OK 100 100 100 100 4.9-5.0 6895/3.0=95, 6898/1.8=95...(11) Violated in 0 structures by 0.00 A. Peak 2124 from cnoeabs.peaks (8.54, 1.60, 28.69 ppm; 3.22 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 67 + HG13 ILE 67 OK 100 100 100 100 2.5-2.5 6884=100, 2132/2.1=62...(21) H GLU 56 - HD2 LYS 58 far 0 84 0 - 5.1-6.6 H ASP 46 - HB2 GLN 50 far 0 62 0 - 6.5-7.4 H GLU 56 - HG13 ILE 67 far 0 100 0 - 9.0-10.1 H GLU 56 - HB2 GLN 50 far 0 81 0 - 9.1-9.6 H ILE 28 - HD2 LYS 58 far 0 71 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 2125 from cnoeabs.peaks (3.56, 1.60, 28.69 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 67 + HG13 ILE 67 OK 100 100 100 100 3.3-3.5 2093=89, 2133/2.1=70...(19) HA GLU 56 - HD2 LYS 58 far 0 75 0 - 6.0-7.1 HB3 TRP 60 - HD2 LYS 58 far 0 79 0 - 6.6-7.8 HA TRP 48 - HB2 GLN 50 far 0 72 0 - 6.8-7.1 HA GLU 56 - HG13 ILE 67 far 0 94 0 - 8.3-9.5 Violated in 4 structures by 0.03 A. Peak 2126 from cnoeabs.peaks (1.81, 1.60, 28.69 ppm; 3.13 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 67 + HG13 ILE 67 OK 100 100 100 100 2.3-2.3 3.0=100 HB VAL 29 - HD3 LYS 31 far 0 84 0 - 6.7-8.2 HB VAL 29 - HD2 LYS 31 far 0 84 0 - 6.9-8.1 HB3 GLU 56 - HD2 LYS 58 far 0 71 0 - 7.7-9.1 HB3 GLU 110 - HD2 LYS 31 far 0 75 0 - 8.8-31.4 HB ILE 23 - HB2 GLN 50 far 0 42 0 - 8.8-9.2 HB3 GLU 56 - HG13 ILE 67 far 0 91 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 2127 from cnoeabs.peaks (0.90, 1.60, 28.69 ppm; 3.26 A increased from 3.07 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 67 + HG13 ILE 67 OK 100 100 100 100 3.0-3.1 3.2=100 QG1 VAL 69 - HG13 ILE 67 far 0 99 0 - 7.2-7.3 HG3 LYS 52 - HB2 GLN 50 far 0 41 0 - 7.5-9.7 HG3 LYS 52 - HG13 ILE 67 far 0 57 0 - 7.5-10.7 QG1 VAL 69 - HD2 LYS 58 far 0 82 0 - 8.2-8.6 HG3 LYS 52 - HD2 LYS 58 far 0 42 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2128 from cnoeabs.peaks (1.25, 1.60, 28.69 ppm; 2.48 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 67 + HG13 ILE 67 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 58 + HD2 LYS 58 OK 50 53 100 94 2.5-3.0 3.0=60, 1.8/1809=39...(16) HB ILE 61 - HD2 LYS 58 far 0 66 0 - 4.4-5.6 HG13 ILE 23 - HB2 GLN 50 far 0 71 0 - 6.5-6.9 HD2 LYS 52 - HB2 GLN 50 far 0 82 0 - 7.7-9.3 HB ILE 61 - HG13 ILE 67 far 0 85 0 - 8.6-9.1 HD2 LYS 52 - HG13 ILE 67 far 0 100 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 2129 from cnoeabs.peaks (1.60, 1.60, 28.69 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG13 ILE 67 + HG13 ILE 67 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 69 69 - 100 HD2 LYS 31 + HD2 LYS 31 OK 64 64 - 100 HD3 LYS 31 + HD3 LYS 31 OK 64 64 - 100 HB2 GLN 50 + HB2 GLN 50 OK 61 61 - 100 Peak 2130 from cnoeabs.peaks (0.80, 1.60, 28.69 ppm; 2.75 A): 2 out of 20 assignments used, quality = 1.00: * QD1 ILE 67 + HG13 ILE 67 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 36 + HD2 LYS 58 OK 75 81 95 98 2.8-3.4 2.1/10871=41...(24) HB3 LEU 55 - HD2 LYS 58 far 0 55 0 - 4.0-4.9 QG2 VAL 69 - HG13 ILE 67 far 0 90 0 - 5.8-6.1 HG2 LYS 52 - HB2 GLN 50 far 0 80 0 - 6.6-8.7 QG2 VAL 6 - HD3 LYS 31 far 0 47 0 - 7.4-13.0 QG2 VAL 6 - HD2 LYS 58 far 0 47 0 - 7.5-10.3 QG2 VAL 69 - HD2 LYS 58 far 0 70 0 - 7.5-8.2 QG2 ILE 23 - HB2 GLN 50 far 0 82 0 - 7.8-8.2 QG2 VAL 6 - HD2 LYS 31 far 0 47 0 - 7.8-12.6 HB3 LEU 55 - HG13 ILE 67 far 0 73 0 - 8.0-8.8 HG2 LYS 52 - HG13 ILE 67 far 0 99 0 - 8.2-11.0 QG2 ILE 28 - HD3 LYS 31 far 0 73 0 - 8.8-9.9 QG2 ILE 28 - HD2 LYS 31 far 0 73 0 - 8.8-9.9 QD1 ILE 11 - HD2 LYS 58 far 0 50 0 - 9.1-11.0 QG2 VAL 69 - HB2 GLN 50 far 0 68 0 - 9.4-9.9 QD1 LEU 109 - HD3 LYS 31 far 0 42 0 - 9.5-27.9 QD2 LEU 36 - HG13 ILE 67 far 0 99 0 - 9.6-10.0 QD2 LEU 36 - HB2 GLN 50 far 0 79 0 - 9.7-10.2 QD1 ILE 67 - HD2 LYS 58 far 0 84 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (7.59, 1.60, 28.69 ppm; 4.54 A increased from 4.27 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 68 + HG13 ILE 67 OK 100 100 100 100 4.2-4.3 6898=100, 6895/3.0=86...(11) H GLN 49 - HB2 GLN 50 far 0 65 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 2132 from cnoeabs.peaks (8.54, 0.80, 12.36 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 67 + QD1 ILE 67 OK 100 100 100 100 2.1-2.8 6884/2.1=71, 3.0/2133=56...(26) H GLU 56 - QD1 ILE 67 far 0 100 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (3.56, 0.80, 12.36 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 67 + QD1 ILE 67 OK 100 100 100 100 1.8-1.9 2094=80, 2109/2135=59...(21) HA GLU 56 - QD1 ILE 67 far 0 94 0 - 6.4-7.1 HA TRP 48 - QD1 ILE 67 far 0 94 0 - 8.8-9.2 HA THR 74 - QD1 ILE 67 far 0 94 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 2134 from cnoeabs.peaks (1.81, 0.80, 12.36 ppm; 3.25 A increased from 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 67 + QD1 ILE 67 OK 100 100 100 100 3.1-3.2 3.2=100 HB3 GLU 56 - QD1 ILE 67 far 0 91 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 2135 from cnoeabs.peaks (0.90, 0.80, 12.36 ppm; 2.55 A increased from 2.40 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 67 + QD1 ILE 67 OK 100 100 100 100 2.4-2.7 2114=100, 2112/2.1=45...(21) HG3 LYS 52 - QD1 ILE 67 far 0 57 0 - 4.6-7.1 QG1 VAL 69 - QD1 ILE 67 far 0 99 0 - 6.0-6.3 Violated in 3 structures by 0.02 A. Peak 2136 from cnoeabs.peaks (1.25, 0.80, 12.36 ppm; 2.57 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 67 + QD1 ILE 67 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 52 - QD1 ILE 67 far 0 100 0 - 5.9-7.3 HB ILE 61 - QD1 ILE 67 far 0 85 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 2137 from cnoeabs.peaks (1.60, 0.80, 12.36 ppm; 2.56 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 67 + QD1 ILE 67 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 ARG 66 - QD1 ILE 67 far 0 99 0 - 3.8-4.2 HB2 LEU 70 - QD1 ILE 67 far 0 99 0 - 4.6-4.7 HB2 LEU 55 - QD1 ILE 67 far 0 100 0 - 5.8-6.1 QB ALA 62 - QD1 ILE 67 far 0 90 0 - 6.0-6.5 HD2 LYS 58 - QD1 ILE 67 far 0 88 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2138 from cnoeabs.peaks (0.80, 0.80, 12.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 67 + QD1 ILE 67 OK 100 100 - 100 Peak 2139 from cnoeabs.peaks (7.59, 0.80, 12.36 ppm; 4.46 A increased from 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 68 + QD1 ILE 67 OK 100 100 100 100 4.1-4.4 6896/2135=88...(10) H GLN 49 - QD1 ILE 67 far 0 87 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2140 from cnoeabs.peaks (7.59, 4.51, 56.73 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 68 + HA ASN 68 OK 100 100 100 100 2.8-2.8 3.0=100 H ASN 68 - HA ASP 65 far 0 40 0 - 4.2-4.3 Violated in 0 structures by 0.00 A. Peak 2141 from cnoeabs.peaks (4.51, 4.51, 56.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 68 + HA ASN 68 OK 100 100 - 100 Peak 2142 from cnoeabs.peaks (3.00, 4.51, 56.73 ppm; 2.59 A): 2 out of 4 assignments used, quality = 0.99: HB3 ASN 68 + HA ASN 68 OK 94 100 100 94 2.9-2.9 3.0=63, 1.8/2152=29...(15) * HB2 ASN 68 + HA ASN 68 OK 91 100 100 91 2.2-2.3 3.0=63, 1.8/2152=30...(13) HB3 ASN 68 - HA ASP 65 far 0 40 0 - 3.5-3.6 HB2 ASN 68 - HA ASP 65 far 0 40 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 2143 from cnoeabs.peaks (3.00, 4.51, 56.73 ppm; 2.59 A): 2 out of 4 assignments used, quality = 0.99: * HB3 ASN 68 + HA ASN 68 OK 94 100 100 94 2.9-2.9 3.0=63, 1.8/2152=29...(15) HB2 ASN 68 + HA ASN 68 OK 91 100 100 91 2.2-2.3 3.0=63, 1.8/2152=30...(13) HB3 ASN 68 - HA ASP 65 far 0 40 0 - 3.5-3.6 HB2 ASN 68 - HA ASP 65 far 0 40 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 2144 from cnoeabs.peaks (7.05, 4.51, 56.73 ppm; 4.33 A): 4 out of 7 assignments used, quality = 0.86: HE22 GLN 72 + HA ASN 68 OK 57 100 100 57 3.9-4.4 7002/6986=42, 6928/3.6=25 * HD21 ASN 68 + HA ASN 68 OK 35 100 35 100 4.9-4.9 4.4=92, 1.7/2145=65...(13) QD PHE 10 + HA ASP 65 OK 32 37 100 87 3.5-3.8 10728/3.0=39, ~8424=32...(10) HD21 ASN 68 + HA ASP 65 OK 28 40 100 71 4.7-4.8 1.7/6915=29, 6909=23...(7) HE22 GLN 72 - HA ASP 65 far 0 39 0 - 8.1-8.3 QD PHE 10 - HA ASN 68 far 0 98 0 - 8.8-9.0 HH2 TRP 48 - HA ASN 68 far 0 90 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 2145 from cnoeabs.peaks (7.99, 4.51, 56.73 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 68 + HA ASN 68 OK 100 100 100 100 4.3-4.3 6916/3.0=80, 4.4=72...(9) HD22 ASN 68 + HA ASP 65 OK 31 40 100 77 3.2-3.3 6915=34, 9775/4.6=29...(8) Violated in 0 structures by 0.00 A. Peak 2146 from cnoeabs.peaks (7.68, 4.51, 56.73 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 69 + HA ASN 68 OK 100 100 100 100 3.6-3.6 3.6=100 H VAL 69 - HA ASP 65 far 4 40 10 - 4.2-4.3 Violated in 0 structures by 0.00 A. Peak 2147 from cnoeabs.peaks (8.94, 4.51, 56.73 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 71 + HA ASN 68 OK 100 100 100 100 3.3-3.4 6956=100, 6968/2149=69...(10) H ILE 11 - HA ASP 65 far 0 27 0 - 6.6-6.8 H ASN 71 - HA ASP 65 far 0 40 0 - 8.0-8.1 H ILE 11 - HA ASN 68 far 0 81 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2148 from cnoeabs.peaks (2.94, 4.51, 56.73 ppm; 2.95 A): 0 out of 2 assignments used, quality = 0.00: ! HB2 ASN 71 - HA ASN 68 far 10 100 10 - 2.4-3.9 HB2 ASN 71 - HA ASP 65 far 0 40 0 - 8.4-10.1 Violated in 18 structures by 0.80 A. Peak 2149 from cnoeabs.peaks (3.11, 4.51, 56.73 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASN 71 + HA ASN 68 OK 99 100 100 99 2.3-3.9 2263=78, 1.8/2255=57...(9) HB3 ASN 71 - HA ASP 65 far 0 40 0 - 8.4-10.1 Violated in 2 structures by 0.05 A. Peak 2150 from cnoeabs.peaks (4.55, 3.00, 38.47 ppm; 2.82 A): 2 out of 6 assignments used, quality = 0.83: HA ASN 68 + HB3 ASN 68 OK 60 61 100 97 2.9-2.9 3.0=82, 3.6/6926=34...(14) HA ASN 68 + HB2 ASN 68 OK 59 61 100 96 2.2-2.3 3.0=82, 3.0/6902=24...(12) HA ASP 65 - HB3 ASN 68 far 0 100 0 - 3.5-3.6 ! HA ASP 65 - HB2 ASN 68 far 0 100 0 - 5.1-5.2 HA ILE 11 - HB3 ASN 68 far 0 88 0 - 6.7-7.0 HA ILE 11 - HB2 ASN 68 far 0 88 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 2151 from cnoeabs.peaks (7.59, 3.00, 38.47 ppm; 2.71 A): 2 out of 2 assignments used, quality = 1.00: H ASN 68 + HB3 ASN 68 OK 97 100 100 97 2.1-2.1 6901=51, 6905/6926=38...(18) * H ASN 68 + HB2 ASN 68 OK 94 100 100 94 3.0-3.1 6901=49, 6902/1.8=35...(14) Violated in 0 structures by 0.00 A. Peak 2152 from cnoeabs.peaks (4.51, 3.00, 38.47 ppm; 2.72 A): 2 out of 4 assignments used, quality = 1.00: HA ASN 68 + HB3 ASN 68 OK 97 100 100 97 2.9-2.9 3.0=73, 2142/1.8=34...(15) * HA ASN 68 + HB2 ASN 68 OK 95 100 100 95 2.2-2.3 3.0=73, 2142/1.8=35...(13) HA ASP 65 - HB3 ASN 68 far 0 61 0 - 3.5-3.6 HA ASP 65 - HB2 ASN 68 far 0 61 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 2153 from cnoeabs.peaks (3.00, 3.00, 38.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 68 + HB3 ASN 68 OK 100 100 - 100 * HB2 ASN 68 + HB2 ASN 68 OK 100 100 - 100 Peak 2154 from cnoeabs.peaks (3.00, 3.00, 38.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 68 + HB3 ASN 68 OK 100 100 - 100 HB2 ASN 68 + HB2 ASN 68 OK 100 100 - 100 Reference assignment not found: HB3 ASN 68 - HB2 ASN 68 Peak 2155 from cnoeabs.peaks (7.05, 3.00, 38.47 ppm; 3.58 A): 2 out of 6 assignments used, quality = 1.00: HD21 ASN 68 + HB3 ASN 68 OK 100 100 100 100 3.5-3.5 3.5=100 * HD21 ASN 68 + HB2 ASN 68 OK 100 100 100 100 4.0-4.0 3.5=100 HE22 GLN 72 - HB2 ASN 68 far 0 100 0 - 4.6-4.8 HE22 GLN 72 - HB3 ASN 68 far 0 100 0 - 5.3-5.4 QD PHE 10 - HB3 ASN 68 far 0 98 0 - 6.4-6.7 QD PHE 10 - HB2 ASN 68 far 0 98 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 2156 from cnoeabs.peaks (7.99, 3.00, 38.47 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: HD22 ASN 68 + HB3 ASN 68 OK 100 100 100 100 2.2-2.2 6917=100, 6914/3.8=30...(8) * HD22 ASN 68 + HB2 ASN 68 OK 98 100 100 98 3.4-3.4 6917/1.8=80, 3.5=76...(6) Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (7.68, 3.00, 38.47 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: H VAL 69 + HB3 ASN 68 OK 100 100 100 100 2.7-2.8 6926=100, 2188/9804=38...(13) ! H VAL 69 - HB2 ASN 68 far 0 100 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 2158 from cnoeabs.peaks (4.55, 3.00, 38.47 ppm; 2.82 A): 2 out of 6 assignments used, quality = 0.83: HA ASN 68 + HB3 ASN 68 OK 60 61 100 97 2.9-2.9 3.0=82, 3.6/6926=34...(14) HA ASN 68 + HB2 ASN 68 OK 59 61 100 96 2.2-2.3 3.0=82, 3.0/6902=24...(12) ! HA ASP 65 - HB3 ASN 68 far 0 100 0 - 3.5-3.6 HA ASP 65 - HB2 ASN 68 far 0 100 0 - 5.1-5.2 HA ILE 11 - HB3 ASN 68 far 0 88 0 - 6.7-7.0 HA ILE 11 - HB2 ASN 68 far 0 88 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 2159 from cnoeabs.peaks (7.59, 3.00, 38.47 ppm; 2.71 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 68 + HB3 ASN 68 OK 97 100 100 97 2.1-2.1 6901=51, 6905/6926=38...(18) H ASN 68 + HB2 ASN 68 OK 94 100 100 94 3.0-3.1 6901=49, 6902/1.8=35...(14) Violated in 0 structures by 0.00 A. Peak 2160 from cnoeabs.peaks (4.51, 3.00, 38.47 ppm; 2.72 A): 2 out of 4 assignments used, quality = 1.00: * HA ASN 68 + HB3 ASN 68 OK 97 100 100 97 2.9-2.9 3.0=73, 2142/1.8=34...(15) HA ASN 68 + HB2 ASN 68 OK 95 100 100 95 2.2-2.3 3.0=73, 2142/1.8=35...(13) HA ASP 65 - HB3 ASN 68 far 0 61 0 - 3.5-3.6 HA ASP 65 - HB2 ASN 68 far 0 61 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 2161 from cnoeabs.peaks (3.00, 3.00, 38.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 68 + HB3 ASN 68 OK 100 100 - 100 HB2 ASN 68 + HB2 ASN 68 OK 100 100 - 100 Reference assignment not found: HB2 ASN 68 - HB3 ASN 68 Peak 2162 from cnoeabs.peaks (3.00, 3.00, 38.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 68 + HB3 ASN 68 OK 100 100 - 100 HB2 ASN 68 + HB2 ASN 68 OK 100 100 - 100 Peak 2163 from cnoeabs.peaks (7.05, 3.00, 38.47 ppm; 3.58 A): 2 out of 6 assignments used, quality = 1.00: * HD21 ASN 68 + HB3 ASN 68 OK 100 100 100 100 3.5-3.5 3.5=100 HD21 ASN 68 + HB2 ASN 68 OK 100 100 100 100 4.0-4.0 3.5=100 HE22 GLN 72 - HB2 ASN 68 far 0 100 0 - 4.6-4.8 HE22 GLN 72 - HB3 ASN 68 far 0 100 0 - 5.3-5.4 QD PHE 10 - HB3 ASN 68 far 0 98 0 - 6.4-6.7 QD PHE 10 - HB2 ASN 68 far 0 98 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 2164 from cnoeabs.peaks (7.99, 3.00, 38.47 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 68 + HB3 ASN 68 OK 100 100 100 100 2.2-2.2 6917=100, 6914/3.8=30...(8) HD22 ASN 68 + HB2 ASN 68 OK 98 100 100 98 3.4-3.4 6917/1.8=80, 3.5=76...(6) Violated in 0 structures by 0.00 A. Peak 2165 from cnoeabs.peaks (7.68, 3.00, 38.47 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 69 + HB3 ASN 68 OK 100 100 100 100 2.7-2.8 6926=100, 2188/9804=38...(13) H VAL 69 - HB2 ASN 68 far 0 100 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (7.68, 3.86, 65.82 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 69 + HA VAL 69 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2167 from cnoeabs.peaks (3.86, 3.86, 65.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 69 + HA VAL 69 OK 100 100 - 100 Peak 2168 from cnoeabs.peaks (1.97, 3.86, 65.82 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 69 + HA VAL 69 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 GLN 72 - HA VAL 69 far 0 92 0 - 4.7-4.9 HB3 GLU 101 - HA VAL 69 far 0 85 0 - 5.2-5.5 HB3 LEU 70 - HA VAL 69 far 0 88 0 - 5.7-5.8 HG2 PRO 100 - HA VAL 69 far 0 99 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2169 from cnoeabs.peaks (0.78, 3.86, 65.82 ppm; 3.29 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 69 + HA VAL 69 OK 100 100 100 100 3.2-3.2 3.2=100 QD1 ILE 11 - HA VAL 69 far 0 98 0 - 7.1-7.8 QD1 ILE 23 - HA VAL 69 far 0 85 0 - 7.1-7.4 QD1 ILE 67 - HA VAL 69 far 0 90 0 - 7.4-7.5 QD2 LEU 36 - HA VAL 69 far 0 99 0 - 7.6-7.8 QG2 ILE 23 - HA VAL 69 far 0 87 0 - 8.1-8.3 HG2 LYS 52 - HA VAL 69 far 0 97 0 - 9.1-11.6 HB3 LEU 55 - HA VAL 69 far 0 99 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 2170 from cnoeabs.peaks (0.89, 3.86, 65.82 ppm; 3.15 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 69 + HA VAL 69 OK 100 100 100 100 2.4-2.4 2189=100, 2188/3.0=56...(12) QD1 LEU 51 - HA VAL 69 far 0 68 0 - 5.7-5.9 QG2 ILE 67 - HA VAL 69 far 0 99 0 - 6.6-6.8 QG2 VAL 103 - HA VAL 69 far 0 100 0 - 6.8-8.0 QG1 VAL 103 - HA VAL 69 far 0 91 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 2171 from cnoeabs.peaks (8.17, 3.86, 65.82 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA VAL 69 OK 100 100 100 100 3.5-3.5 3.6=100 H PHE 10 - HA VAL 69 far 0 100 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (7.77, 3.86, 65.82 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + HA VAL 69 OK 100 100 100 100 3.6-3.7 6987=100, 2303/2174=55...(12) HD22 ASN 71 - HA VAL 69 far 0 90 0 - 6.7-6.9 H VAL 102 - HA VAL 69 far 0 100 0 - 7.8-7.9 Violated in 0 structures by 0.00 A. Peak 2173 from cnoeabs.peaks (1.99, 3.86, 65.82 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.92: HB VAL 69 + HA VAL 69 OK 92 92 100 100 2.4-2.5 3.0=100 ! HB2 GLN 72 - HA VAL 69 far 0 100 0 - 4.7-4.9 HG2 PRO 100 - HA VAL 69 far 0 77 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2174 from cnoeabs.peaks (2.28, 3.86, 65.82 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.95: HG2 GLN 72 + HA VAL 69 OK 95 96 100 99 2.9-3.1 1.8/9873=59, 9872=55...(11) ! HB3 GLN 72 - HA VAL 69 far 0 100 0 - 4.4-4.5 HG3 GLU 101 - HA VAL 69 far 0 100 0 - 7.4-7.7 HG2 GLU 101 - HA VAL 69 far 0 100 0 - 7.7-8.2 HB2 GLU 75 - HA VAL 69 far 0 99 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (3.46, 1.97, 31.29 ppm; 4.75 A increased from 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 66 + HB VAL 69 OK 100 100 100 100 4.6-4.7 8454/2.1=95, 8455/2.1=95...(10) HA LEU 51 - HB VAL 69 far 0 98 0 - 7.5-7.9 HA ARG 66 - HB2 GLN 27 far 0 80 0 - 8.4-8.8 HA ARG 66 - HB3 GLN 27 far 0 80 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 2176 from cnoeabs.peaks (7.68, 1.97, 31.29 ppm; 3.68 A increased from 3.10 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 69 + HB VAL 69 OK 100 100 100 100 3.6-3.6 6931=99, 2188/2.1=88...(10) H LEU 51 - HB VAL 69 far 0 98 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 2177 from cnoeabs.peaks (3.86, 1.97, 31.29 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 69 + HB VAL 69 OK 100 100 100 100 2.4-2.5 3.0=100 HA ILE 61 - HB2 GLN 27 far 0 46 0 - 6.6-6.9 HA ILE 61 - HB3 GLN 27 far 0 45 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (1.97, 1.97, 31.29 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 69 + HB VAL 69 OK 100 100 - 100 HB2 GLN 27 + HB2 GLN 27 OK 80 80 - 100 HB3 GLN 27 + HB3 GLN 27 OK 78 78 - 100 Peak 2179 from cnoeabs.peaks (0.78, 1.97, 31.29 ppm; 2.77 A): 3 out of 21 assignments used, quality = 1.00: * QG2 VAL 69 + HB VAL 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 36 + HB2 GLN 27 OK 72 77 100 94 1.9-2.3 2.1/8253=25, 9169=19...(27) QD2 LEU 36 + HB3 GLN 27 OK 71 76 100 94 2.6-3.2 2.1/8253=24...(28) QD1 ILE 11 - HB3 GLN 27 far 0 74 0 - 4.6-6.4 QD1 ILE 11 - HB2 GLN 27 far 0 75 0 - 4.7-6.6 QD2 LEU 36 - HB VAL 69 far 0 99 0 - 5.8-6.1 QD1 ILE 23 - HB VAL 69 far 0 85 0 - 6.1-6.5 QD1 ILE 11 - HB VAL 69 far 0 98 0 - 6.3-7.6 QG2 ILE 28 - HB2 GLN 27 far 0 80 0 - 6.4-6.7 QG2 ILE 28 - HB3 GLN 27 far 0 79 0 - 6.9-7.1 HB3 LEU 55 - HB2 GLN 27 far 0 77 0 - 7.0-7.5 QG1 VAL 29 - HB3 GLN 27 far 0 59 0 - 7.0-7.4 QG1 VAL 29 - HB2 GLN 27 far 0 59 0 - 7.1-7.3 QG2 VAL 69 - HB2 GLN 27 far 0 80 0 - 7.3-7.5 HB3 LEU 55 - HB VAL 69 far 0 99 0 - 7.3-7.4 QD1 ILE 67 - HB VAL 69 far 0 90 0 - 7.3-7.5 QG2 ILE 23 - HB VAL 69 far 0 87 0 - 7.6-7.8 HB3 LEU 55 - HB3 GLN 27 far 0 77 0 - 7.6-8.6 QG2 VAL 69 - HB3 GLN 27 far 0 80 0 - 7.7-8.3 HG2 LYS 52 - HB VAL 69 far 0 97 0 - 7.8-10.1 QD2 LEU 109 - HB3 GLN 27 far 0 61 0 - 9.8-20.2 Violated in 0 structures by 0.00 A. Peak 2180 from cnoeabs.peaks (0.89, 1.97, 31.29 ppm; 2.83 A): 1 out of 13 assignments used, quality = 1.00: * QG1 VAL 69 + HB VAL 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 51 - HB VAL 69 far 0 68 0 - 3.6-4.0 QG1 VAL 69 - HB2 GLN 27 far 0 80 0 - 6.3-6.5 QG1 VAL 69 - HB3 GLN 27 far 0 80 0 - 6.7-7.3 QG2 VAL 103 - HB VAL 69 far 0 100 0 - 6.9-8.4 QD1 LEU 51 - HB3 GLN 27 far 0 47 0 - 7.2-7.8 QG1 VAL 103 - HB VAL 69 far 0 91 0 - 7.3-9.3 QD1 LEU 51 - HB2 GLN 27 far 0 47 0 - 7.4-7.8 QG2 ILE 67 - HB VAL 69 far 0 99 0 - 7.5-7.7 QG2 VAL 103 - HB3 GLN 27 far 0 79 0 - 9.1-10.3 QG1 VAL 103 - HB3 GLN 27 far 0 66 0 - 9.3-10.6 QG2 VAL 103 - HB2 GLN 27 far 0 80 0 - 9.5-10.7 QG1 VAL 103 - HB2 GLN 27 far 0 67 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 2181 from cnoeabs.peaks (8.17, 1.97, 31.29 ppm; 3.95 A increased from 3.51 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 70 + HB VAL 69 OK 100 100 100 100 3.7-3.8 6944/2.1=82, 6945/2.1=72...(11) H PHE 10 - HB2 GLN 27 far 0 80 0 - 6.1-6.5 H VAL 29 - HB3 GLN 27 far 0 66 0 - 6.8-7.2 H VAL 29 - HB2 GLN 27 far 0 67 0 - 6.9-7.2 H PHE 10 - HB3 GLN 27 far 0 80 0 - 7.3-7.7 H PHE 10 - HB VAL 69 far 0 100 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (7.68, 0.78, 22.09 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 69 + QG2 VAL 69 OK 100 100 100 100 2.1-2.2 6932=89, 2188/2.1=76...(19) H LEU 51 - QG2 VAL 69 far 0 98 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (3.86, 0.78, 22.09 ppm; 3.39 A increased from 3.01 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 69 + QG2 VAL 69 OK 100 100 100 100 3.2-3.2 3.2=100 HA ILE 61 - QG2 VAL 69 far 0 65 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 2184 from cnoeabs.peaks (1.97, 0.78, 22.09 ppm; 2.80 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 69 + QG2 VAL 69 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 70 - QG2 VAL 69 far 0 88 0 - 3.5-3.6 HB2 GLU 54 - QG2 VAL 69 far 0 96 0 - 6.5-6.9 HB2 GLN 72 - QG2 VAL 69 far 0 92 0 - 6.8-6.9 HB2 GLN 27 - QG2 VAL 69 far 0 100 0 - 7.3-7.5 HB3 GLU 101 - QG2 VAL 69 far 0 85 0 - 7.5-7.7 HB3 GLN 27 - QG2 VAL 69 far 0 100 0 - 7.7-8.3 HB3 GLU 63 - QG2 VAL 69 far 0 79 0 - 8.3-8.4 Violated in 0 structures by 0.00 A. Peak 2185 from cnoeabs.peaks (0.78, 0.78, 22.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 69 + QG2 VAL 69 OK 100 100 - 100 Peak 2186 from cnoeabs.peaks (0.89, 0.78, 22.09 ppm; 2.40 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 69 + QG2 VAL 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 51 + QG2 VAL 69 OK 54 68 100 80 2.7-3.0 2.1/11169=41, 9402=29...(8) QG2 ILE 67 - QG2 VAL 69 far 0 99 0 - 5.0-5.3 QG2 VAL 103 - QG2 VAL 69 far 0 100 0 - 7.4-8.6 QG1 VAL 103 - QG2 VAL 69 far 0 91 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 2187 from cnoeabs.peaks (8.17, 0.78, 22.09 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + QG2 VAL 69 OK 100 100 100 100 2.0-2.1 6944=100, 6949/11285=62...(19) H PHE 10 - QG2 VAL 69 far 0 100 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (7.68, 0.89, 22.09 ppm; 2.77 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 69 + QG1 VAL 69 OK 99 100 100 99 2.0-2.0 6933=89, 2182/2.1=47...(13) H LEU 51 - QG1 VAL 69 far 0 98 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 2189 from cnoeabs.peaks (3.86, 0.89, 22.09 ppm; 2.82 A): 1 out of 2 assignments used, quality = 0.97: * HA VAL 69 + QG1 VAL 69 OK 97 100 100 97 2.4-2.4 2170=72, 3.0/2188=46...(12) HA ILE 61 - QG1 VAL 69 far 0 65 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (1.97, 0.89, 22.09 ppm; 2.76 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 69 + QG1 VAL 69 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 70 - QG1 VAL 69 far 0 88 0 - 5.7-5.8 HB2 GLN 72 - QG1 VAL 69 far 0 92 0 - 6.1-6.3 HB3 GLU 101 - QG1 VAL 69 far 0 85 0 - 6.2-6.4 HB2 GLN 27 - QG1 VAL 69 far 0 100 0 - 6.3-6.5 HB3 GLN 27 - QG1 VAL 69 far 0 100 0 - 6.7-7.3 HB2 GLU 54 - QG1 VAL 69 far 0 96 0 - 7.8-8.1 HB3 GLU 63 - QG1 VAL 69 far 0 79 0 - 9.0-9.1 HG2 PRO 100 - QG1 VAL 69 far 0 99 0 - 9.8-10.2 HB3 PRO 100 - QG1 VAL 69 far 0 88 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (0.78, 0.89, 22.09 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * QG2 VAL 69 + QG1 VAL 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 36 - QG1 VAL 69 far 0 99 0 - 4.3-4.5 QD1 ILE 11 - QG1 VAL 69 far 0 98 0 - 4.5-5.5 HB3 LEU 55 - QG1 VAL 69 far 0 99 0 - 5.7-5.9 QD1 ILE 67 - QG1 VAL 69 far 0 90 0 - 6.0-6.3 QD1 ILE 23 - QG1 VAL 69 far 0 85 0 - 6.8-7.1 QG2 ILE 28 - QG1 VAL 69 far 0 100 0 - 7.0-7.2 HG2 LYS 52 - QG1 VAL 69 far 0 97 0 - 7.8-9.7 QG2 ILE 23 - QG1 VAL 69 far 0 87 0 - 7.9-8.1 QD2 LEU 109 - QG1 VAL 69 far 0 85 0 - 9.4-17.7 Violated in 0 structures by 0.00 A. Peak 2192 from cnoeabs.peaks (0.89, 0.89, 22.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 69 + QG1 VAL 69 OK 100 100 - 100 Peak 2193 from cnoeabs.peaks (8.17, 0.89, 22.09 ppm; 3.91 A increased from 3.29 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 70 + QG1 VAL 69 OK 100 100 100 100 3.8-3.9 6945=100, 6944/2.1=82...(11) H PHE 10 + QG1 VAL 69 OK 93 100 95 98 4.3-4.5 6073/8453=59...(9) H VAL 29 - QG1 VAL 69 far 0 91 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 2194 from cnoeabs.peaks (8.17, 3.95, 57.67 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2195 from cnoeabs.peaks (3.95, 3.95, 57.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HA LEU 70 OK 100 100 - 100 Peak 2196 from cnoeabs.peaks (1.61, 3.95, 57.67 ppm; 3.84 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.5-2.5 2.9=100 HB2 ARG 66 - HA LEU 70 far 0 95 0 - 6.7-7.1 HG13 ILE 77 - HA LEU 70 far 0 71 0 - 7.6-7.9 HB2 LEU 55 - HA LEU 70 far 0 100 0 - 8.0-8.4 HG13 ILE 67 - HA LEU 70 far 0 99 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 2197 from cnoeabs.peaks (1.95, 3.95, 57.67 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 3.0-3.0 2.9=100 HB VAL 69 - HA LEU 70 far 0 88 0 - 4.4-4.5 HB3 GLU 101 - HA LEU 70 far 0 100 0 - 8.4-8.7 HB2 GLU 54 - HA LEU 70 far 0 99 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (1.43, 3.95, 57.67 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 100 100 2.8-2.9 2.1/2231=88, 4.3=72...(20) HB3 LYS 52 - HA LEU 70 far 0 73 0 - 5.2-8.0 QB ALA 47 - HA LEU 70 far 0 100 0 - 7.3-7.7 HB ILE 77 - HA LEU 70 far 0 70 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (-0.14, 3.95, 57.67 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.1-2.3 2231=100, 2.1/2198=48...(27) Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (0.42, 3.95, 57.67 ppm; 3.95 A increased from 3.71 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 3.9-3.9 4.0=97, 2.1/2231=91...(17) QD1 LEU 55 - HA LEU 70 far 0 99 0 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 2201 from cnoeabs.peaks (8.94, 3.95, 57.67 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 71 + HA LEU 70 OK 100 100 100 100 3.5-3.5 3.6=100 H ALA 24 - HA LEU 70 far 0 92 0 - 7.6-8.3 H ILE 11 - HA LEU 70 far 0 81 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (8.38, 3.95, 57.67 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 73 + HA LEU 70 OK 100 100 100 100 3.3-3.3 7023=100, 2328/2327=81...(12) H TRP 48 - HA LEU 70 far 0 71 0 - 7.4-7.7 H ILE 77 - HA LEU 70 far 0 70 0 - 8.1-8.2 H ASP 53 - HA LEU 70 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 2203 from cnoeabs.peaks (1.52, 3.95, 57.67 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 73 + HA LEU 70 OK 100 100 100 100 2.4-2.5 2327=100, 2328/7023=46...(14) HG LEU 12 - HA LEU 70 far 0 100 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 2204 from cnoeabs.peaks (3.56, 1.61, 40.19 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 67 + HB2 LEU 70 OK 100 100 100 100 4.2-4.3 2098/1.8=93, 8426/3.1=77...(9) HA TRP 48 - HB2 LEU 70 far 0 94 0 - 5.5-5.9 HA THR 74 - HB2 LEU 70 far 0 94 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 2205 from cnoeabs.peaks (8.17, 1.61, 40.19 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.6-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (3.95, 1.61, 40.19 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.5-2.5 2.9=100 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (1.61, 1.61, 40.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 Peak 2208 from cnoeabs.peaks (1.95, 1.61, 40.19 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 69 - HB2 LEU 70 far 0 88 0 - 6.5-6.5 HB2 GLU 56 - HB2 LEU 70 far 0 68 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2209 from cnoeabs.peaks (1.43, 1.61, 40.19 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LYS 52 + HB2 LEU 70 OK 33 73 45 99 4.1-7.0 10431/3.1=38, ~10430=35...(23) QB ALA 47 - HB2 LEU 70 far 0 100 0 - 8.2-8.6 HB ILE 77 - HB2 LEU 70 far 0 70 0 - 9.0-9.1 Violated in 0 structures by 0.00 A. Peak 2210 from cnoeabs.peaks (-0.14, 1.61, 40.19 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.2-2.3 3.1=100 Violated in 0 structures by 0.00 A. Peak 2211 from cnoeabs.peaks (0.42, 1.61, 40.19 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.5-2.6 3.1=100 QD1 LEU 55 - HB2 LEU 70 far 0 99 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 2212 from cnoeabs.peaks (8.94, 1.61, 40.19 ppm; 5.26 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 71 + HB2 LEU 70 OK 100 100 100 100 3.7-3.8 4.6=100 H ALA 24 - HB2 LEU 70 far 0 92 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2213 from cnoeabs.peaks (3.56, 1.95, 40.19 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 67 + HB3 LEU 70 OK 100 100 100 100 2.6-2.7 2098=100, 8426/3.1=73...(11) HA TRP 48 - HB3 LEU 70 far 0 94 0 - 7.0-7.3 HA THR 74 - HB3 LEU 70 far 0 94 0 - 7.8-7.9 HA GLU 56 - HB3 LEU 70 far 0 94 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2214 from cnoeabs.peaks (8.17, 1.95, 40.19 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-2.4 6948=100, 6947/1.8=80...(14) Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (3.95, 1.95, 40.19 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 3.0-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2216 from cnoeabs.peaks (1.61, 1.95, 40.19 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 66 - HB3 LEU 70 far 0 95 0 - 5.3-5.9 HG13 ILE 67 - HB3 LEU 70 far 0 99 0 - 5.9-6.1 HB2 LEU 55 - HB3 LEU 70 far 0 100 0 - 7.3-7.7 QB ALA 62 - HB3 LEU 70 far 0 77 0 - 9.6-9.7 Violated in 0 structures by 0.00 A. Peak 2217 from cnoeabs.peaks (1.95, 1.95, 40.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB ILE 90 + HB ILE 90 OK 24 24 - 100 Peak 2218 from cnoeabs.peaks (1.43, 1.95, 40.19 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-2.6 2.9=100 HB3 LYS 52 - HB3 LEU 70 far 0 73 0 - 4.7-7.6 HB2 LYS 88 - HB ILE 90 far 0 26 0 - 4.8-5.6 QB ALA 47 - HB3 LEU 70 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 2219 from cnoeabs.peaks (-0.14, 1.95, 40.19 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 3.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2220 from cnoeabs.peaks (0.42, 1.95, 40.19 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.1-2.2 3.1=100 QD1 LEU 55 - HB3 LEU 70 far 0 99 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 2221 from cnoeabs.peaks (8.94, 1.95, 40.19 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 71 + HB3 LEU 70 OK 100 100 100 100 2.8-2.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 2222 from cnoeabs.peaks (8.17, 1.43, 26.43 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-2.6 6949=100, 6951/2.1=78...(15) Violated in 0 structures by 0.00 A. Peak 2223 from cnoeabs.peaks (3.95, 1.43, 26.43 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 2.8-2.9 4.3=100 Violated in 0 structures by 0.00 A. Peak 2224 from cnoeabs.peaks (1.61, 1.43, 26.43 ppm; 3.10 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 ARG 66 - HG LEU 70 far 0 95 0 - 3.9-4.3 HB2 LEU 55 - HG LEU 70 far 0 100 0 - 5.3-5.7 HG13 ILE 67 - HG LEU 70 far 0 99 0 - 6.9-7.2 QB ALA 62 - HG LEU 70 far 0 77 0 - 9.2-9.4 HD2 LYS 58 - HG LEU 70 far 0 96 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 2225 from cnoeabs.peaks (1.95, 1.43, 26.43 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-2.6 2.9=100 HB VAL 69 + HG LEU 70 OK 88 88 100 100 4.4-4.5 2.1/11285=95...(11) HB2 GLU 54 - HG LEU 70 far 0 99 0 - 8.0-8.4 HB2 GLU 56 - HG LEU 70 far 0 68 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 2226 from cnoeabs.peaks (1.43, 1.43, 26.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 70 + HG LEU 70 OK 100 100 - 100 Peak 2227 from cnoeabs.peaks (-0.14, 1.43, 26.43 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (0.42, 1.43, 26.43 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 55 + HG LEU 70 OK 84 99 100 85 3.0-3.4 8350=47, 8450/11285=29...(9) Violated in 0 structures by 0.00 A. Peak 2229 from cnoeabs.peaks (8.94, 1.43, 26.43 ppm; 4.83 A increased from 4.29 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 71 + HG LEU 70 OK 100 100 100 100 4.5-4.6 6963=100, 6959/6949=88...(9) H ILE 11 - HG LEU 70 far 0 81 0 - 8.7-9.0 H ALA 24 - HG LEU 70 far 0 92 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 2230 from cnoeabs.peaks (8.17, -0.14, 20.06 ppm; 3.85 A increased from 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.8-3.9 6950=94, 6949/2.1=85...(15) HE3 TRP 42 - QD2 LEU 70 far 0 99 0 - 8.8-9.4 Violated in 1 structures by 0.00 A. Peak 2231 from cnoeabs.peaks (3.95, -0.14, 20.06 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-2.3 2199=81, 2198/2.1=41...(26) Violated in 0 structures by 0.00 A. Peak 2232 from cnoeabs.peaks (1.61, -0.14, 20.06 ppm; 3.29 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.2-2.3 3.1=100 HB2 ARG 66 - QD2 LEU 70 far 0 95 0 - 4.4-4.9 HB2 LEU 55 - QD2 LEU 70 far 0 100 0 - 4.9-5.6 HB2 GLN 50 - QD2 LEU 70 far 0 93 0 - 7.0-7.3 HG13 ILE 77 - QD2 LEU 70 far 0 71 0 - 7.2-7.5 HG13 ILE 67 - QD2 LEU 70 far 0 99 0 - 7.2-7.5 HD2 LYS 58 - QD2 LEU 70 far 0 96 0 - 8.9-10.1 QB ALA 62 - QD2 LEU 70 far 0 77 0 - 9.2-9.4 HB3 LYS 13 - QD2 LEU 70 far 0 100 0 - 9.7-11.3 HB ILE 11 - QD2 LEU 70 far 0 85 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2233 from cnoeabs.peaks (1.95, -0.14, 20.06 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.2-3.2 3.1=100 HB VAL 69 - QD2 LEU 70 far 0 88 0 - 4.9-5.0 HB2 GLU 54 - QD2 LEU 70 far 0 99 0 - 6.5-6.9 HB2 GLU 56 - QD2 LEU 70 far 0 68 0 - 6.6-7.1 HB3 GLU 101 - QD2 LEU 70 far 0 100 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 2234 from cnoeabs.peaks (1.43, -0.14, 20.06 ppm; 2.99 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 52 + QD2 LEU 70 OK 44 73 60 99 1.8-4.0 3.0/8464=41, 4.0/8327=28...(28) QB ALA 47 - QD2 LEU 70 far 0 100 0 - 5.6-6.0 HB ILE 77 - QD2 LEU 70 far 0 70 0 - 7.5-7.8 QB ALA 57 - QD2 LEU 70 far 0 97 0 - 8.0-8.3 HB2 LEU 36 - QD2 LEU 70 far 0 75 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 2235 from cnoeabs.peaks (-0.14, -0.14, 20.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 Peak 2236 from cnoeabs.peaks (0.42, -0.14, 20.06 ppm; 2.53 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 55 - QD2 LEU 70 far 0 99 0 - 3.4-4.0 Violated in 0 structures by 0.00 A. Peak 2237 from cnoeabs.peaks (8.94, -0.14, 20.06 ppm; 5.13 A increased from 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 71 + QD2 LEU 70 OK 100 100 100 100 4.8-4.9 4.9=100 H ALA 24 - QD2 LEU 70 far 0 92 0 - 6.8-7.4 H ILE 11 - QD2 LEU 70 far 0 81 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 2238 from cnoeabs.peaks (8.17, 0.42, 25.38 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.3-3.5 6951=100, 6949/2.1=81...(16) H LEU 70 - QD1 LEU 55 poor 19 85 25 89 4.2-4.4 6945/8451=50...(6) H PHE 10 - QD1 LEU 55 far 0 85 0 - 6.5-7.1 H PHE 10 - QD1 LEU 70 far 0 100 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2239 from cnoeabs.peaks (3.95, 0.42, 25.38 ppm; 4.10 A increased from 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.9-3.9 4.0=100 HA LEU 70 - QD1 LEU 55 far 0 85 0 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 2240 from cnoeabs.peaks (1.61, 0.42, 25.38 ppm; 3.01 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.5-2.6 3.1=94, 2.9/2200=34...(12) HB2 LEU 55 + QD1 LEU 55 OK 83 85 100 98 2.4-2.5 3.1=88, 6703/6706=30...(18) HB2 ARG 66 + QD1 LEU 70 OK 75 95 100 79 2.6-3.3 2.9/8470=19, 3.0/8421=18...(15) HB2 ARG 66 + QD1 LEU 55 OK 73 76 100 96 1.9-2.1 2.9/9710=21, 3.0/8421=20...(33) HB2 LEU 55 - QD1 LEU 70 far 0 100 0 - 4.0-4.5 HG13 ILE 67 - QD1 LEU 70 far 0 99 0 - 4.6-5.0 HD2 LYS 58 - QD1 LEU 55 far 0 78 0 - 5.2-6.0 HB2 LEU 70 - QD1 LEU 55 far 0 85 0 - 5.5-6.0 QB ALA 62 - QD1 LEU 55 far 0 59 0 - 6.0-6.2 HG13 ILE 67 - QD1 LEU 55 far 0 83 0 - 6.3-6.6 HB ILE 11 - QD1 LEU 55 far 0 66 0 - 7.4-7.9 QB ALA 62 - QD1 LEU 70 far 0 77 0 - 7.5-7.8 HD2 LYS 58 - QD1 LEU 70 far 0 96 0 - 8.4-9.6 HB ILE 28 - QD1 LEU 55 far 0 79 0 - 8.5-9.1 HB2 GLN 50 - QD1 LEU 55 far 0 74 0 - 8.6-9.1 HB2 GLN 50 - QD1 LEU 70 far 0 93 0 - 8.9-9.1 HB3 LYS 13 - QD1 LEU 55 far 0 84 0 - 9.0-10.5 HG13 ILE 77 - QD1 LEU 70 far 0 71 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 2241 from cnoeabs.peaks (1.95, 0.42, 25.38 ppm; 3.27 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.2 3.1=100 HB VAL 69 + QD1 LEU 55 OK 65 69 100 95 3.7-3.8 2.1/8451=65, 10472=51...(12) HB2 GLU 54 - QD1 LEU 55 far 0 83 0 - 4.8-5.0 HB3 LEU 70 - QD1 LEU 55 far 0 85 0 - 5.0-5.3 HB VAL 69 - QD1 LEU 70 far 0 88 0 - 5.6-5.8 HB2 GLU 56 - QD1 LEU 70 far 0 68 0 - 5.6-6.3 HB2 GLN 27 - QD1 LEU 55 far 0 65 0 - 5.9-6.4 HB2 GLU 56 - QD1 LEU 55 far 0 51 0 - 6.2-6.5 HB3 GLN 27 - QD1 LEU 55 far 0 60 0 - 6.3-7.1 HB2 GLU 54 - QD1 LEU 70 far 0 99 0 - 7.2-7.5 HB3 GLU 63 - QD1 LEU 70 far 0 100 0 - 7.5-7.9 HB3 GLU 63 - QD1 LEU 55 far 0 84 0 - 8.1-8.4 HB3 GLU 101 - QD1 LEU 55 far 0 85 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2242 from cnoeabs.peaks (1.43, 0.42, 25.38 ppm; 3.07 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD1 LEU 55 OK 62 85 100 73 3.0-3.4 2228=31, 11285/8450=28...(9) HB3 LYS 52 + QD1 LEU 70 OK 33 73 45 99 1.8-4.2 1.8/10430=38...(26) HB3 LYS 52 - QD1 LEU 55 far 0 56 0 - 4.8-6.3 HB2 LEU 36 - QD1 LEU 55 far 0 57 0 - 5.5-5.9 QB ALA 57 - QD1 LEU 55 far 0 79 0 - 6.6-6.7 HG13 ILE 11 - QD1 LEU 55 far 0 84 0 - 7.3-8.7 HG3 LYS 58 - QD1 LEU 55 far 0 44 0 - 7.5-7.9 QB ALA 47 - QD1 LEU 70 far 0 100 0 - 7.7-8.2 QB ALA 57 - QD1 LEU 70 far 0 97 0 - 7.7-8.1 QB ALA 47 - QD1 LEU 55 far 0 85 0 - 8.4-8.6 HB ILE 77 - QD1 LEU 70 far 0 70 0 - 9.6-9.9 HB2 LEU 36 - QD1 LEU 70 far 0 75 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2243 from cnoeabs.peaks (-0.14, 0.42, 25.38 ppm; 2.79 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 - QD1 LEU 55 far 9 85 10 - 3.4-4.0 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (0.42, 0.42, 25.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 QD1 LEU 55 + QD1 LEU 55 OK 83 83 - 100 Peak 2245 from cnoeabs.peaks (8.94, 0.42, 25.38 ppm; 5.04 A): 2 out of 6 assignments used, quality = 1.00: * H ASN 71 + QD1 LEU 70 OK 100 100 100 100 4.5-4.6 4.9=100 H ILE 11 + QD1 LEU 55 OK 54 62 100 88 5.1-5.5 9796/8451=70...(6) H ASN 71 - QD1 LEU 55 far 0 85 0 - 6.3-6.5 H ALA 24 - QD1 LEU 55 far 0 73 0 - 7.6-7.9 H ILE 11 - QD1 LEU 70 far 0 81 0 - 8.8-9.2 H ALA 24 - QD1 LEU 70 far 0 92 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (8.94, 4.59, 55.63 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 71 + HA ASN 71 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2247 from cnoeabs.peaks (4.59, 4.59, 55.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 71 + HA ASN 71 OK 100 100 - 100 Peak 2248 from cnoeabs.peaks (2.94, 4.59, 55.63 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 71 + HA ASN 71 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 52 - HA ASN 71 far 0 100 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 2249 from cnoeabs.peaks (3.11, 4.59, 55.63 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 71 + HA ASN 71 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 PHE 99 - HA ASN 71 far 0 100 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 2250 from cnoeabs.peaks (6.80, 4.59, 55.63 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.99: * HD21 ASN 71 + HA ASN 71 OK 99 100 100 99 4.4-4.4 4.4=99 Violated in 0 structures by 0.00 A. Peak 2252 from cnoeabs.peaks (7.77, 4.59, 55.63 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 72 + HA ASN 71 OK 100 100 100 100 3.5-3.5 3.6=100 HD22 ASN 71 + HA ASN 71 OK 88 90 100 99 4.2-4.2 4.4=64, 1.7/2250=59...(10) Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (4.23, 4.59, 55.63 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.99: * HB THR 74 + HA ASN 71 OK 99 100 100 99 3.1-3.2 2339=88, 2.1/9854=52...(8) Violated in 0 structures by 0.00 A. Peak 2255 from cnoeabs.peaks (4.51, 2.94, 37.10 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.99: * HA ASN 68 + HB2 ASN 71 OK 99 100 100 99 2.4-3.9 2149/1.8=87...(7) HA ASP 65 - HB2 ASN 71 far 0 61 0 - 8.4-10.1 Violated in 3 structures by 0.00 A. Peak 2256 from cnoeabs.peaks (8.94, 2.94, 37.10 ppm; 3.67 A increased from 3.45 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 71 + HB2 ASN 71 OK 100 100 100 100 2.1-3.5 6967=100, 6968/1.8=87...(9) Violated in 0 structures by 0.00 A. Peak 2257 from cnoeabs.peaks (4.59, 2.94, 37.10 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 71 + HB2 ASN 71 OK 100 100 100 100 2.7-3.0 3.0=100 HA ILE 11 - HB2 ASN 71 far 0 85 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2258 from cnoeabs.peaks (2.94, 2.94, 37.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 71 + HB2 ASN 71 OK 100 100 - 100 Peak 2259 from cnoeabs.peaks (3.11, 2.94, 37.10 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 71 + HB2 ASN 71 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 99 - HB2 ASN 71 far 0 100 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 2260 from cnoeabs.peaks (6.80, 2.94, 37.10 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 71 + HB2 ASN 71 OK 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 2261 from cnoeabs.peaks (7.79, 2.94, 37.10 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 71 + HB2 ASN 71 OK 97 100 100 97 2.1-3.1 3.5=80, 2269/1.8=36...(9) H GLN 72 + HB2 ASN 71 OK 84 90 100 94 2.9-3.4 6992=70, 6993/1.8=57...(4) H VAL 102 - HB2 ASN 71 far 0 82 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (7.77, 2.94, 37.10 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 72 + HB2 ASN 71 OK 97 100 100 97 2.9-3.4 6992=79, 6993/1.8=64...(4) HD22 ASN 71 + HB2 ASN 71 OK 86 90 100 97 2.1-3.1 3.5=80, 2270/1.8=32...(9) H VAL 102 - HB2 ASN 71 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2263 from cnoeabs.peaks (4.51, 3.11, 37.10 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 68 + HB3 ASN 71 OK 100 100 100 100 2.3-3.9 2149=100, 2255/1.8=68...(9) HA LYS 88 - HB3 ASN 87 far 0 96 0 - 4.5-4.6 HA GLN 89 - HB3 ASN 87 far 0 97 0 - 7.0-7.5 HA ASP 65 - HB3 ASN 71 far 0 61 0 - 8.4-10.1 Violated in 2 structures by 0.02 A. Peak 2264 from cnoeabs.peaks (8.94, 3.11, 37.10 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 71 + HB3 ASN 71 OK 100 100 100 100 2.1-3.5 6968=100, 6967/1.8=67...(10) Violated in 0 structures by 0.00 A. Peak 2265 from cnoeabs.peaks (4.59, 3.11, 37.10 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 71 + HB3 ASN 71 OK 100 100 100 100 2.7-3.0 3.0=100 HA ILE 11 - HB3 ASN 71 far 0 85 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 2266 from cnoeabs.peaks (2.94, 3.11, 37.10 ppm; 2.70 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 71 + HB3 ASN 71 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 52 - HB3 ASN 71 far 0 100 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 2267 from cnoeabs.peaks (3.11, 3.11, 37.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 71 + HB3 ASN 71 OK 100 100 - 100 HB3 ASN 87 + HB3 ASN 87 OK 98 98 - 100 Peak 2268 from cnoeabs.peaks (6.80, 3.11, 37.10 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 71 + HB3 ASN 71 OK 100 100 100 100 3.4-3.9 3.5=100 HD21 ASN 87 + HB3 ASN 87 OK 91 91 100 100 3.8-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 2269 from cnoeabs.peaks (7.79, 3.11, 37.10 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 71 + HB3 ASN 71 OK 98 100 100 98 2.2-3.1 3.5=86, 2261/1.8=39...(9) H GLN 72 + HB3 ASN 71 OK 87 90 100 98 2.9-3.3 6993=78, 6992/1.8=58...(6) H VAL 102 - HB3 ASN 71 far 0 82 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2270 from cnoeabs.peaks (7.77, 3.11, 37.10 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 72 + HB3 ASN 71 OK 99 100 100 99 2.9-3.3 6993=87, 6992/1.8=65...(6) HD22 ASN 71 + HB3 ASN 71 OK 88 90 100 98 2.2-3.1 3.5=86, 2262/1.8=34...(9) H VAL 102 - HB3 ASN 71 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2271 from cnoeabs.peaks (7.77, 4.18, 58.89 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + HA GLN 72 OK 100 100 100 100 2.9-2.9 2.9=100 H VAL 102 - HA GLN 72 far 0 100 0 - 6.6-7.0 HD22 ASN 71 - HA GLN 72 far 0 90 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 2272 from cnoeabs.peaks (4.18, 4.18, 58.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + HA GLN 72 OK 100 100 - 100 Peak 2273 from cnoeabs.peaks (1.99, 4.18, 58.89 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 72 + HA GLN 72 OK 100 100 100 100 2.5-2.6 3.0=100 HG2 PRO 100 - HA GLN 72 far 0 77 0 - 7.5-7.8 HB VAL 69 - HA GLN 72 far 0 92 0 - 7.7-7.8 HG3 PRO 100 - HA GLN 72 far 0 77 0 - 9.0-9.2 HB3 PRO 100 - HA GLN 72 far 0 100 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 2274 from cnoeabs.peaks (2.28, 4.18, 58.89 ppm; 2.75 A): 2 out of 6 assignments used, quality = 0.99: * HB3 GLN 72 + HA GLN 72 OK 98 100 100 98 2.3-2.4 3.0=77, 2294/2.9=33...(20) HB2 GLU 75 + HA GLN 72 OK 65 99 80 81 3.1-3.5 2360=30, 3.0/9943=28...(9) HG2 GLN 72 - HA GLN 72 far 0 96 0 - 3.9-4.0 HB3 GLU 75 - HA GLN 72 far 0 100 0 - 4.5-4.8 HG3 GLU 101 - HA GLN 72 far 0 100 0 - 4.7-4.9 HG2 GLU 101 - HA GLN 72 far 0 100 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 2275 from cnoeabs.peaks (2.29, 4.18, 58.89 ppm; 2.75 A): 2 out of 6 assignments used, quality = 0.97: HB3 GLN 72 + HA GLN 72 OK 94 96 100 98 2.3-2.4 3.0=77, 2294/2.9=31...(20) HB2 GLU 75 + HA GLN 72 OK 55 87 80 79 3.1-3.5 3.0/9943=28...(9) ! HG2 GLN 72 - HA GLN 72 far 0 100 0 - 3.9-4.0 HB3 GLU 75 - HA GLN 72 far 0 88 0 - 4.5-4.8 HG3 GLU 101 - HA GLN 72 far 0 99 0 - 4.7-4.9 HG2 GLU 101 - HA GLN 72 far 0 98 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 2276 from cnoeabs.peaks (2.63, 4.18, 58.89 ppm; 3.77 A increased from 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 72 + HA GLN 72 OK 100 100 100 100 3.5-3.6 2313=100, 7000/2.9=70...(16) Violated in 0 structures by 0.00 A. Peak 2277 from cnoeabs.peaks (6.96, 4.18, 58.89 ppm; 5.65 A increased from 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 72 + HA GLN 72 OK 100 100 100 100 5.4-5.6 5.4=100 HZ PHE 99 - HA GLN 72 far 0 85 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 2278 from cnoeabs.peaks (7.06, 4.18, 58.89 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 72 + HA GLN 72 OK 100 100 100 100 3.8-4.0 7015=92, 7019/2313=81...(13) QE PHE 99 - HA GLN 72 poor 20 98 20 - 4.8-5.8 HD21 ASN 68 - HA GLN 72 far 0 100 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 2279 from cnoeabs.peaks (8.38, 4.18, 58.89 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 73 + HA GLN 72 OK 100 100 100 100 3.5-3.5 3.6=100 H ILE 77 - HA GLN 72 far 0 70 0 - 6.7-7.0 H VAL 103 - HA GLN 72 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 2280 from cnoeabs.peaks (7.53, 4.18, 58.89 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HA GLN 72 OK 100 100 100 100 3.5-3.6 7053=99, 2383/9943=60...(9) HD21 ASN 78 - HA GLN 72 far 0 75 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 2281 from cnoeabs.peaks (2.27, 4.18, 58.89 ppm; 2.75 A): 2 out of 6 assignments used, quality = 0.99: HB3 GLN 72 + HA GLN 72 OK 98 99 100 98 2.3-2.4 3.0=77, 2294/2.9=32...(20) * HB2 GLU 75 + HA GLN 72 OK 65 100 80 81 3.1-3.5 2360=30, 3.0/9943=28...(9) HG2 GLN 72 - HA GLN 72 far 0 87 0 - 3.9-4.0 HB3 GLU 75 - HA GLN 72 far 0 100 0 - 4.5-4.8 HG3 GLU 101 - HA GLN 72 far 0 98 0 - 4.7-4.9 HG2 GLU 101 - HA GLN 72 far 0 98 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 2282 from cnoeabs.peaks (2.27, 4.18, 58.89 ppm; 2.75 A): 2 out of 6 assignments used, quality = 0.99: HB3 GLN 72 + HA GLN 72 OK 98 100 100 98 2.3-2.4 3.0=77, 2294/2.9=33...(20) HB2 GLU 75 + HA GLN 72 OK 65 100 80 81 3.1-3.5 2360=30, 3.0/9943=28...(9) HG2 GLN 72 - HA GLN 72 far 0 88 0 - 3.9-4.0 ! HB3 GLU 75 - HA GLN 72 far 0 100 0 - 4.5-4.8 HG3 GLU 101 - HA GLN 72 far 0 98 0 - 4.7-4.9 HG2 GLU 101 - HA GLN 72 far 0 99 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 2283 from cnoeabs.peaks (3.86, 1.99, 29.27 ppm; 3.41 A): 1 out of 5 assignments used, quality = 0.93: HA GLU 94 + HB2 GLU 94 OK 93 93 100 100 2.4-2.6 3.0=100 ! HA VAL 69 - HB2 GLN 72 far 0 100 0 - 4.7-4.9 HA GLU 94 - HG13 ILE 90 far 0 58 0 - 5.5-7.5 HA ILE 61 - HB2 GLU 54 far 0 37 0 - 9.2-9.9 HA GLN 81 - HG13 ILE 90 far 0 61 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2284 from cnoeabs.peaks (7.77, 1.99, 29.27 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + HB2 GLN 72 OK 100 100 100 100 3.6-3.6 6997=96, 2294/1.8=76...(16) H VAL 102 - HB2 GLN 72 far 0 100 0 - 4.6-4.8 HD22 ASN 71 - HB2 GLN 72 far 0 90 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 2285 from cnoeabs.peaks (4.18, 1.99, 29.27 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.5-2.6 3.0=100 HA ALA 57 - HB2 GLU 54 far 0 64 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 2286 from cnoeabs.peaks (1.99, 1.99, 29.27 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 72 + HB2 GLN 72 OK 100 100 - 100 HB2 GLU 94 + HB2 GLU 94 OK 93 93 - 100 HB2 GLU 54 + HB2 GLU 54 OK 38 38 - 100 HG13 ILE 90 + HG13 ILE 90 OK 31 31 - 100 Peak 2287 from cnoeabs.peaks (2.28, 1.99, 29.27 ppm; 2.58 A): 4 out of 14 assignments used, quality = 1.00: * HB3 GLN 72 + HB2 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 72 + HB2 GLN 72 OK 92 96 100 96 2.2-2.3 3.0=65, 7029/7028=23...(20) HG3 GLU 94 + HB2 GLU 94 OK 74 79 100 94 2.5-2.7 3.0=63, 2617/3.0=27...(21) HG3 GLU 54 + HB2 GLU 54 OK 57 59 100 97 2.9-3.0 3.0=64, 1649/1.8=53...(17) HG3 GLU 101 - HB2 GLN 72 far 0 100 0 - 3.9-4.4 HB2 GLU 75 - HB2 GLN 72 far 0 99 0 - 4.5-4.8 HG2 GLU 101 - HB2 GLN 72 far 0 100 0 - 5.2-5.7 HG3 GLU 94 - HG13 ILE 90 far 0 46 0 - 5.4-6.7 HG2 GLN 89 - HG13 ILE 90 far 0 38 0 - 6.1-8.8 HB3 GLU 75 - HB2 GLN 72 far 0 100 0 - 6.2-6.4 HG2 GLN 96 - HB2 GLU 94 far 0 92 0 - 7.9-9.0 HG2 GLN 96 - HG13 ILE 90 far 0 57 0 - 7.9-10.8 HB2 GLN 86 - HG13 ILE 90 far 0 57 0 - 8.9-11.0 HG2 GLN 89 - HB2 GLU 94 far 0 67 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2288 from cnoeabs.peaks (2.29, 1.99, 29.27 ppm; 2.58 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLN 72 + HB2 GLN 72 OK 96 100 100 96 2.2-2.3 3.0=65, 2303/2284=23...(20) HB3 GLN 72 + HB2 GLN 72 OK 96 96 100 100 1.8-1.8 1.8=100 HG3 GLU 54 + HB2 GLU 54 OK 38 40 100 95 2.9-3.0 3.0=64, 1649/1.8=40...(15) HG3 GLU 101 - HB2 GLN 72 far 0 99 0 - 3.9-4.4 HB2 GLU 75 - HB2 GLN 72 far 0 87 0 - 4.5-4.8 HG2 GLU 101 - HB2 GLN 72 far 0 98 0 - 5.2-5.7 HB3 GLU 75 - HB2 GLN 72 far 0 88 0 - 6.2-6.4 HG2 GLN 96 - HB2 GLU 94 far 0 72 0 - 7.9-9.0 HG2 GLN 96 - HG13 ILE 90 far 0 41 0 - 7.9-10.8 HB2 GLN 86 - HG13 ILE 90 far 0 41 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 2289 from cnoeabs.peaks (2.63, 1.99, 29.27 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 PHE 10 - HB2 GLU 54 far 0 49 0 - 8.4-8.9 HB2 PHE 40 - HB2 GLU 54 far 0 46 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 2291 from cnoeabs.peaks (7.06, 1.99, 29.27 ppm; 4.33 A): 3 out of 8 assignments used, quality = 1.00: * HE22 GLN 72 + HB2 GLN 72 OK 100 100 100 100 3.3-3.4 7016=100, 7019/3.0=82...(11) QE PHE 40 + HB2 GLU 54 OK 66 66 100 100 4.0-4.7 10885/1.8=59...(18) HZ PHE 40 + HB2 GLU 54 OK 46 46 100 100 3.3-4.4 8337/3.0=46...(23) QE PHE 99 - HB2 GLN 72 far 0 98 0 - 5.5-6.5 HD21 ASN 68 - HB2 GLN 72 far 0 100 0 - 6.5-6.9 QD PHE 10 - HB2 GLU 54 far 0 58 0 - 6.8-7.4 QE PHE 99 - HG13 ILE 90 far 0 58 0 - 7.2-8.7 QE PHE 99 - HB2 GLU 94 far 0 93 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 2292 from cnoeabs.peaks (8.38, 1.99, 29.27 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 73 + HB2 GLN 72 OK 100 100 100 100 3.7-3.7 7028=100, 7030/3.0=68...(15) H VAL 103 - HB2 GLN 72 far 0 100 0 - 5.8-6.6 H ASP 53 - HB2 GLU 54 far 0 66 0 - 5.8-6.1 H ILE 77 - HB2 GLN 72 far 0 70 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 2293 from cnoeabs.peaks (3.86, 2.28, 29.27 ppm; 4.47 A increased from 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 69 + HB3 GLN 72 OK 100 100 100 100 4.4-4.5 2174/3.0=79, 9873/3.0=70...(8) HA VAL 69 - HB2 GLU 75 far 0 88 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 2294 from cnoeabs.peaks (7.77, 2.28, 29.27 ppm; 3.54 A): 1 out of 8 assignments used, quality = 1.00: * H GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.8-2.9 2284/1.8=70, 4.0=67...(15) H VAL 102 - HB3 GLN 72 far 0 100 0 - 5.3-5.6 H GLN 72 - HB2 GLU 75 far 0 88 0 - 5.7-6.2 HD22 ASN 71 - HB3 GLN 72 far 0 90 0 - 6.8-6.8 H GLN 72 - HB3 GLU 75 far 0 88 0 - 7.2-7.4 H VAL 102 - HB2 GLU 75 far 0 87 0 - 7.6-8.0 H VAL 102 - HB3 GLU 75 far 0 87 0 - 8.9-9.2 HD22 ASN 71 - HB2 GLU 75 far 0 73 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 2295 from cnoeabs.peaks (4.18, 2.28, 29.27 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLN 72 + HB2 GLU 75 OK 82 88 100 93 3.1-3.5 9943/3.0=42...(9) HA GLN 72 - HB3 GLU 75 far 0 88 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 2296 from cnoeabs.peaks (1.99, 2.28, 29.27 ppm; 2.78 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLN 72 + HB3 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 72 - HB2 GLU 75 far 0 88 0 - 4.5-4.8 HB2 GLN 72 - HB3 GLU 75 far 0 88 0 - 6.2-6.4 HG2 PRO 100 - HB3 GLN 72 far 0 77 0 - 6.4-6.7 HB VAL 69 - HB3 GLN 72 far 0 92 0 - 6.6-6.7 HB3 PRO 100 - HB3 GLN 72 far 0 100 0 - 7.8-8.0 HG3 PRO 100 - HB3 GLN 72 far 0 77 0 - 8.0-8.4 HG2 PRO 100 - HB2 GLU 75 far 0 61 0 - 8.4-8.8 HG2 PRO 100 - HB3 GLU 75 far 0 62 0 - 9.0-9.3 HG3 PRO 100 - HB2 GLU 75 far 0 61 0 - 9.4-9.8 HG3 PRO 100 - HB3 GLU 75 far 0 62 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2297 from cnoeabs.peaks (2.28, 2.28, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 72 + HB3 GLN 72 OK 100 100 - 100 HB3 GLU 75 + HB3 GLU 75 OK 87 87 - 100 HB2 GLU 75 + HB2 GLU 75 OK 86 86 - 100 Peak 2298 from cnoeabs.peaks (2.29, 2.28, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLN 72 + HB3 GLN 72 OK 96 96 - 100 HB3 GLU 75 + HB3 GLU 75 OK 72 72 - 100 HB2 GLU 75 + HB2 GLU 75 OK 70 70 - 100 Reference assignment not found: HG2 GLN 72 - HB3 GLN 72 Peak 2299 from cnoeabs.peaks (2.63, 2.28, 29.27 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.6-2.7 3.0=100 HG3 GLN 72 - HB2 GLU 75 far 0 88 0 - 6.3-6.7 HG3 GLN 72 - HB3 GLU 75 far 0 88 0 - 7.9-8.2 HB3 GLN 81 - HB3 GLU 75 far 0 88 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 2300 from cnoeabs.peaks (6.96, 2.28, 29.27 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: * HE21 GLN 72 + HB3 GLN 72 OK 100 100 100 100 3.2-3.3 4.5=73, 7008/1.8=67...(17) HZ PHE 99 + HB3 GLU 75 OK 67 69 100 96 3.3-4.0 ~9945=32, 2.2/10851=25...(16) HZ PHE 99 + HB2 GLU 75 OK 64 69 95 97 3.7-4.7 10984/10501=43, ~9945=32...(16) HE21 GLN 72 - HB2 GLU 75 far 0 88 0 - 8.4-8.7 HZ PHE 99 - HB3 GLN 72 far 0 85 0 - 8.5-9.0 HE21 GLN 72 - HB3 GLU 75 far 0 88 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 2301 from cnoeabs.peaks (7.06, 2.28, 29.27 ppm; 3.78 A): 3 out of 7 assignments used, quality = 1.00: * HE22 GLN 72 + HB3 GLN 72 OK 100 100 100 100 1.9-1.9 7016/1.8=67, 7019/3.0=67...(12) QE PHE 99 + HB2 GLU 75 OK 78 83 100 94 2.0-3.4 10851=29, 10851/1.8=23...(15) QE PHE 99 + HB3 GLU 75 OK 78 84 100 92 2.0-2.7 10851=28, 10851/1.8=24...(14) HD21 ASN 68 - HB3 GLN 72 far 0 100 0 - 5.6-6.0 QE PHE 99 - HB3 GLN 72 far 0 98 0 - 6.2-7.1 HE22 GLN 72 - HB2 GLU 75 far 0 88 0 - 6.8-7.3 HE22 GLN 72 - HB3 GLU 75 far 0 88 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 2302 from cnoeabs.peaks (8.38, 2.28, 29.27 ppm; 4.34 A increased from 3.86 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 73 + HB3 GLN 72 OK 100 100 100 100 4.1-4.1 7028/1.8=89, 4.6=83...(18) H ILE 77 - HB2 GLU 75 far 0 55 0 - 5.1-5.2 H ALA 73 - HB2 GLU 75 far 0 88 0 - 5.3-5.6 H ILE 77 - HB3 GLU 75 far 0 55 0 - 5.9-6.1 H ALA 73 - HB3 GLU 75 far 0 88 0 - 7.0-7.1 H VAL 103 - HB3 GLN 72 far 0 100 0 - 7.1-7.9 H ILE 77 - HB3 GLN 72 far 0 70 0 - 8.4-8.6 H VAL 103 - HB2 GLU 75 far 0 86 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 2303 from cnoeabs.peaks (7.77, 2.29, 34.45 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 72 + HG2 GLN 72 OK 100 100 100 100 3.1-3.3 7000/1.8=81...(18) H VAL 102 - HG2 GLN 72 far 0 100 0 - 5.7-6.1 H VAL 102 - HG2 GLN 96 far 0 69 0 - 7.0-7.8 HD22 ASN 71 - HG2 GLN 72 far 0 90 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 2304 from cnoeabs.peaks (4.18, 2.29, 34.45 ppm; 4.18 A increased from 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + HG2 GLN 72 OK 100 100 100 100 3.9-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 2305 from cnoeabs.peaks (1.99, 2.29, 34.45 ppm; 3.12 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.2-2.3 3.0=100 HB VAL 69 - HG2 GLN 72 far 0 92 0 - 4.2-4.5 HB2 GLU 94 - HG2 GLN 96 far 0 66 0 - 7.9-9.0 HG13 ILE 90 - HG2 GLN 96 far 0 36 0 - 7.9-10.8 HG2 PRO 100 - HG2 GLN 72 far 0 77 0 - 8.5-9.0 HB ILE 90 - HG2 GLN 96 far 0 69 0 - 9.0-10.8 HB3 PRO 100 - HG2 GLN 96 far 0 70 0 - 9.4-10.6 HB3 PRO 100 - HG2 GLN 72 far 0 100 0 - 9.5-9.9 HB3 GLN 89 - HG2 GLN 86 far 0 39 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2306 from cnoeabs.peaks (2.28, 2.29, 34.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLN 72 + HG2 GLN 72 OK 96 96 - 100 HG2 GLN 86 + HG2 GLN 86 OK 73 73 - 100 HG2 GLN 96 + HG2 GLN 96 OK 65 65 - 100 Reference assignment not found: HB3 GLN 72 - HG2 GLN 72 Peak 2307 from cnoeabs.peaks (2.29, 2.29, 34.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 72 + HG2 GLN 72 OK 100 100 - 100 HG2 GLN 86 + HG2 GLN 86 OK 72 72 - 100 HG2 GLN 96 + HG2 GLN 96 OK 48 48 - 100 Peak 2308 from cnoeabs.peaks (2.63, 2.29, 34.45 ppm; 2.72 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 72 + HG2 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 10 - HG2 GLN 72 far 0 84 0 - 8.4-8.7 HB3 GLN 81 - HG2 GLN 86 far 0 74 0 - 9.1-10.6 HE2 LYS 13 - HG2 GLN 96 far 0 36 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 2309 from cnoeabs.peaks (6.96, 2.29, 34.45 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 72 + HG2 GLN 72 OK 100 100 100 100 4.1-4.1 3.5=100 HZ PHE 99 - HG2 GLN 72 far 0 85 0 - 9.4-10.0 HD22 ASN 108 - HG2 GLN 96 far 0 70 0 - 9.7-19.4 Violated in 0 structures by 0.00 A. Peak 2310 from cnoeabs.peaks (7.06, 2.29, 34.45 ppm; 3.59 A): 1 out of 7 assignments used, quality = 1.00: * HE22 GLN 72 + HG2 GLN 72 OK 100 100 100 100 3.5-3.5 3.5=100 HD21 ASN 68 - HG2 GLN 72 far 0 100 0 - 5.4-5.6 QE PHE 99 - HG2 GLN 72 far 0 98 0 - 7.4-8.3 HE21 GLN 81 - HG2 GLN 86 far 0 43 0 - 8.1-11.7 QE PHE 99 - HG2 GLN 96 far 0 66 0 - 8.3-9.4 QD PHE 10 - HG2 GLN 72 far 0 94 0 - 9.4-9.6 QE PHE 40 - HG2 GLN 72 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2311 from cnoeabs.peaks (8.38, 2.29, 34.45 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 73 + HG2 GLN 72 OK 100 100 100 100 2.7-3.0 7030=100, 7031/1.8=74...(16) H VAL 103 - HG2 GLN 72 far 0 100 0 - 5.4-6.3 H VAL 103 - HG2 GLN 96 far 0 69 0 - 7.0-7.5 H ILE 77 - HG2 GLN 72 far 0 70 0 - 7.5-7.6 Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (7.77, 2.63, 34.45 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + HG3 GLN 72 OK 100 100 100 100 1.6-1.7 7000=100, 2303/1.8=69...(17) HD22 ASN 71 - HG3 GLN 72 far 0 90 0 - 6.2-6.4 H VAL 102 - HG3 GLN 72 far 0 100 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 2313 from cnoeabs.peaks (4.18, 2.63, 34.45 ppm; 3.64 A increased from 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 72 + HG3 GLN 72 OK 100 100 100 100 3.5-3.6 2276=90, 2.9/7000=66...(16) Violated in 0 structures by 0.00 A. Peak 2314 from cnoeabs.peaks (1.99, 2.63, 34.45 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.9-3.0 3.0=100 HB VAL 69 - HG3 GLN 72 far 0 92 0 - 4.2-4.3 HG2 PRO 100 - HG3 GLN 72 far 0 77 0 - 8.8-9.3 HB3 PRO 100 - HG3 GLN 72 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 2315 from cnoeabs.peaks (2.28, 2.63, 34.45 ppm; 2.55 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLN 72 + HG3 GLN 72 OK 96 96 100 100 1.8-1.8 1.8=100 * HB3 GLN 72 + HG3 GLN 72 OK 94 100 100 94 2.6-2.7 3.0=63, 2294/7000=26...(16) HG3 GLU 101 - HG3 GLN 72 far 0 100 0 - 6.0-6.4 HB2 GLU 75 - HG3 GLN 72 far 0 99 0 - 6.3-6.7 HG2 GLU 101 - HG3 GLN 72 far 0 100 0 - 6.8-7.3 HB3 GLU 75 - HG3 GLN 72 far 0 100 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 2316 from cnoeabs.peaks (2.29, 2.63, 34.45 ppm; 2.55 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 72 + HG3 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 72 + HG3 GLN 72 OK 90 96 100 94 2.6-2.7 3.0=63, 3.0/2313=26...(16) HG3 GLU 101 - HG3 GLN 72 far 0 99 0 - 6.0-6.4 HB2 GLU 75 - HG3 GLN 72 far 0 87 0 - 6.3-6.7 HG2 GLU 101 - HG3 GLN 72 far 0 98 0 - 6.8-7.3 HB3 GLU 75 - HG3 GLN 72 far 0 88 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 2317 from cnoeabs.peaks (2.63, 2.63, 34.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 72 + HG3 GLN 72 OK 100 100 - 100 Peak 2318 from cnoeabs.peaks (6.96, 2.63, 34.45 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 72 + HG3 GLN 72 OK 100 100 100 100 3.7-3.7 3.5=100 HZ PHE 99 - HG3 GLN 72 far 0 85 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 2319 from cnoeabs.peaks (7.06, 2.63, 34.45 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.7-2.7 7019=100, 7016/3.0=42...(13) HD21 ASN 68 - HG3 GLN 72 far 0 100 0 - 4.8-5.2 QE PHE 99 - HG3 GLN 72 far 0 98 0 - 7.8-8.7 QD PHE 10 - HG3 GLN 72 far 0 94 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 2320 from cnoeabs.peaks (8.38, 2.63, 34.45 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 73 + HG3 GLN 72 OK 100 100 100 100 2.3-2.6 7031=100, 7029/1.8=95...(16) H VAL 103 - HG3 GLN 72 far 0 100 0 - 7.2-8.0 H ILE 77 - HG3 GLN 72 far 0 70 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 2321 from cnoeabs.peaks (8.38, 3.81, 55.20 ppm; 3.52 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 73 + HA ALA 73 OK 100 100 100 100 2.8-2.8 3.0=100 H ILE 77 + HA ALA 73 OK 60 70 100 86 3.8-3.9 4.2/9960=38, 4.4/2399=34...(7) H VAL 103 - HA ALA 73 far 0 100 0 - 6.9-7.4 H TRP 48 - HA ALA 73 far 0 71 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 2322 from cnoeabs.peaks (3.81, 3.81, 55.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 73 + HA ALA 73 OK 100 100 - 100 Peak 2323 from cnoeabs.peaks (1.52, 3.81, 55.20 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 73 + HA ALA 73 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 12 - HA ALA 73 far 0 100 0 - 4.2-4.4 Violated in 0 structures by 0.00 A. Peak 2324 from cnoeabs.peaks (8.47, 3.81, 55.20 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * H THR 74 + HA ALA 73 OK 100 100 100 100 3.5-3.6 3.6=100 H ASN 78 - HA ALA 73 far 0 91 0 - 6.1-6.3 H ALA 22 - HA ALA 73 far 0 95 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2325 from cnoeabs.peaks (7.94, 3.81, 55.20 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + HA ALA 73 OK 100 100 100 100 3.5-3.6 7069=100, 2406/9960=81...(9) Violated in 0 structures by 0.00 A. Peak 2326 from cnoeabs.peaks (1.85, 3.81, 55.20 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 76 + HA ALA 73 OK 100 100 100 100 2.8-2.9 2399=100, 2.1/9960=74...(14) HB3 LEU 12 - HA ALA 73 far 0 95 0 - 5.1-5.3 HB VAL 103 - HA ALA 73 far 0 87 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 2327 from cnoeabs.peaks (3.95, 1.52, 17.64 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + QB ALA 73 OK 100 100 100 100 2.4-2.5 2203=95, 7023/2328=44...(14) Violated in 0 structures by 0.00 A. Peak 2328 from cnoeabs.peaks (8.38, 1.52, 17.64 ppm; 2.87 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 73 + QB ALA 73 OK 100 100 100 100 2.0-2.1 2.9=94, 7036/7045=36...(19) H ILE 77 - QB ALA 73 far 0 70 0 - 4.4-4.5 H TRP 48 - QB ALA 73 far 0 71 0 - 4.9-5.0 H VAL 103 - QB ALA 73 far 0 100 0 - 6.8-7.2 H ASP 53 - QB ALA 73 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 2329 from cnoeabs.peaks (3.81, 1.52, 17.64 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 73 + QB ALA 73 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PHE 79 - QB ALA 73 far 0 90 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (1.52, 1.52, 17.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 73 + QB ALA 73 OK 100 100 - 100 Peak 2331 from cnoeabs.peaks (8.47, 1.52, 17.64 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * H THR 74 + QB ALA 73 OK 100 100 100 100 2.6-2.6 7045=100, 7036/2328=58...(13) H ASN 78 - QB ALA 73 far 0 91 0 - 6.1-6.3 H ALA 22 - QB ALA 73 far 0 95 0 - 8.7-8.8 H LEU 55 - QB ALA 73 far 0 75 0 - 8.7-8.8 Violated in 0 structures by 0.00 A. Peak 2332 from cnoeabs.peaks (8.47, 3.54, 66.69 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * H THR 74 + HA THR 74 OK 100 100 100 100 2.8-2.8 3.0=100 H ASN 78 - HA VAL 76 far 0 71 0 - 4.0-4.1 H ASN 78 - HA THR 74 far 0 91 0 - 4.3-4.5 H THR 74 - HA VAL 76 far 0 84 0 - 7.1-7.2 H ASP 82 - HA VAL 76 far 0 79 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 2333 from cnoeabs.peaks (3.54, 3.54, 66.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 74 + HA THR 74 OK 100 100 - 100 HA VAL 76 + HA VAL 76 OK 66 66 - 100 Peak 2334 from cnoeabs.peaks (4.23, 3.54, 66.69 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 74 + HA THR 74 OK 100 100 100 100 2.8-2.9 3.0=100 HA VAL 102 - HA VAL 76 far 0 77 0 - 8.1-8.4 HB THR 74 - HA VAL 76 far 0 84 0 - 8.2-8.3 HA ALA 47 - HA THR 74 far 0 100 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 2335 from cnoeabs.peaks (0.96, 3.54, 66.69 ppm; 2.83 A): 2 out of 7 assignments used, quality = 0.98: * QG2 THR 74 + HA THR 74 OK 94 100 100 94 2.9-2.9 3.2=68, 2345/3.0=35...(12) QG1 VAL 76 + HA VAL 76 OK 69 71 100 98 2.4-2.5 3.2=69, 2.1/2407=48...(19) QG1 VAL 14 - HA VAL 76 far 0 78 0 - 5.0-5.2 QG1 VAL 76 - HA THR 74 far 0 91 0 - 6.1-6.2 QG2 THR 74 - HA VAL 76 far 0 84 0 - 6.4-6.5 QG1 VAL 14 - HA THR 74 far 0 97 0 - 8.2-8.6 HG3 LYS 52 - HA THR 74 far 0 90 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2336 from cnoeabs.peaks (7.53, 3.54, 66.69 ppm; 3.96 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 75 + HA THR 74 OK 100 100 100 100 3.5-3.5 3.6=100 HD21 ASN 78 + HA THR 74 OK 70 75 100 93 4.2-4.4 8515/3.2=52, ~8482=43...(9) H GLU 75 - HA VAL 76 far 0 84 0 - 5.3-5.3 HD21 ASN 78 - HA VAL 76 far 0 56 0 - 6.8-7.0 HZ2 TRP 42 - HA THR 74 far 0 87 0 - 7.5-8.2 H GLN 49 - HA THR 74 far 0 63 0 - 7.5-8.0 H LEU 83 - HA VAL 76 far 0 82 0 - 8.1-8.7 H ALA 95 - HA VAL 76 far 0 84 0 - 8.8-9.7 HZ2 TRP 42 - HA VAL 76 far 0 67 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (8.35, 3.54, 66.69 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.99: * H ILE 77 + HA THR 74 OK 93 100 100 93 4.0-4.1 7095/2338=51...(8) H ILE 77 + HA VAL 76 OK 84 84 100 100 3.6-3.6 3.6=100 H ALA 73 - HA THR 74 far 0 70 0 - 5.2-5.3 H ALA 73 - HA VAL 76 far 0 52 0 - 7.5-7.6 H VAL 103 - HA VAL 76 far 0 63 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 2338 from cnoeabs.peaks (1.46, 3.54, 66.69 ppm; 3.58 A): 1 out of 6 assignments used, quality = 0.96: * HB ILE 77 + HA THR 74 OK 96 100 100 96 3.0-3.1 2429=60, 3.2/8497=51...(9) HB ILE 77 - HA VAL 76 far 0 84 0 - 5.7-5.8 QB ALA 47 - HA THR 74 far 0 70 0 - 6.2-6.6 HB3 LEU 51 - HA THR 74 far 0 88 0 - 8.1-9.0 HG LEU 70 - HA THR 74 far 0 70 0 - 8.5-8.7 QB ALA 47 - HA VAL 76 far 0 52 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 2339 from cnoeabs.peaks (4.59, 4.23, 68.56 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 71 + HB THR 74 OK 100 100 100 100 3.1-3.2 2254=100, 9854/2.1=57...(8) Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (8.47, 4.23, 68.56 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * H THR 74 + HB THR 74 OK 100 100 100 100 2.1-2.1 7047=100, 2345/2.1=65...(14) H ASN 78 - HB THR 74 far 0 91 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (3.54, 4.23, 68.56 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 74 + HB THR 74 OK 100 100 100 100 2.8-2.9 3.0=100 HA TRP 48 - HB THR 74 far 0 65 0 - 6.7-7.1 HA ILE 67 - HB THR 74 far 0 94 0 - 7.7-8.2 HA VAL 76 - HB THR 74 far 0 85 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 2342 from cnoeabs.peaks (4.23, 4.23, 68.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 74 + HB THR 74 OK 100 100 - 100 Peak 2343 from cnoeabs.peaks (0.96, 4.23, 68.56 ppm; 2.90 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 74 + HB THR 74 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 76 - HB THR 74 far 0 91 0 - 7.7-7.8 HG3 LYS 52 - HB THR 74 far 0 90 0 - 8.1-11.3 QG1 VAL 14 - HB THR 74 far 0 97 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2344 from cnoeabs.peaks (7.53, 4.23, 68.56 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 75 + HB THR 74 OK 100 100 100 100 3.2-3.3 7058=94, 7059/2.1=59...(13) HD21 ASN 78 - HB THR 74 far 0 75 0 - 5.0-5.3 H GLN 49 - HB THR 74 far 0 63 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 2345 from cnoeabs.peaks (8.47, 0.96, 21.66 ppm; 3.49 A increased from 3.29 A): 1 out of 11 assignments used, quality = 0.99: * H THR 74 + QG2 THR 74 OK 99 100 100 99 3.3-3.4 7048=81, 7047/2.1=71...(10) H ALA 22 - QG1 VAL 14 far 0 47 0 - 4.2-4.7 H ASN 78 - QG1 VAL 76 far 0 77 0 - 4.4-4.5 H ASN 78 - QG2 THR 74 far 0 91 0 - 4.4-4.6 H ALA 22 - QG1 VAL 76 far 0 82 0 - 6.1-6.4 H THR 74 - QG1 VAL 76 far 0 90 0 - 6.4-6.5 H ASN 78 - QG1 VAL 14 far 0 44 0 - 6.9-7.3 H ASP 82 - QG1 VAL 76 far 0 85 0 - 6.9-7.2 H THR 74 - QG1 VAL 14 far 0 54 0 - 8.3-8.6 H ASP 82 - QG1 VAL 14 far 0 50 0 - 8.8-9.3 H ASP 82 - QG2 THR 74 far 0 98 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 2346 from cnoeabs.peaks (3.54, 0.96, 21.66 ppm; 2.73 A): 2 out of 13 assignments used, quality = 0.97: * HA THR 74 + QG2 THR 74 OK 91 100 100 91 2.9-2.9 3.2=61, 3.0/2345=32...(12) HA VAL 76 + QG1 VAL 76 OK 69 72 100 97 2.4-2.5 3.2=62, 2393/2.1=45...(19) HA VAL 76 - QG1 VAL 14 far 0 40 0 - 5.0-5.2 HA THR 74 - QG1 VAL 76 far 0 90 0 - 6.1-6.2 HA VAL 76 - QG2 THR 74 far 0 85 0 - 6.4-6.5 HA TRP 48 - QG2 THR 74 far 0 65 0 - 7.3-7.6 HA TRP 48 - QG1 VAL 76 far 0 53 0 - 7.8-8.2 HA ILE 67 - QG2 THR 74 far 0 94 0 - 8.0-8.5 HA THR 74 - QG1 VAL 14 far 0 54 0 - 8.2-8.6 HA TRP 48 - QG1 VAL 14 far 0 29 0 - 8.9-9.4 HD2 PRO 43 - QG1 VAL 76 far 0 83 0 - 9.0-10.6 HA PRO 43 - QG1 VAL 76 far 0 64 0 - 9.5-9.9 HD2 PRO 43 - QG1 VAL 14 far 0 48 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (4.23, 0.96, 21.66 ppm; 2.68 A): 1 out of 12 assignments used, quality = 1.00: * HB THR 74 + QG2 THR 74 OK 100 100 100 100 2.1-2.1 2.1=100 HA VAL 102 - QG1 VAL 76 far 0 84 0 - 6.0-6.3 HA VAL 102 - QG1 VAL 14 far 0 48 0 - 6.1-6.4 HA ALA 24 - QG1 VAL 14 far 0 39 0 - 7.4-8.0 HB THR 74 - QG1 VAL 76 far 0 90 0 - 7.7-7.8 HA ALA 24 - QG1 VAL 76 far 0 70 0 - 8.3-8.8 HA LEU 109 - QG1 VAL 14 far 0 32 0 - 8.9-15.6 HA ALA 47 - QG1 VAL 76 far 0 90 0 - 9.0-9.4 HA3 GLY 106 - QG1 VAL 14 far 0 53 0 - 9.1-9.8 HA ALA 47 - QG1 VAL 14 far 0 54 0 - 9.1-9.6 HA VAL 102 - QG2 THR 74 far 0 96 0 - 9.7-10.1 HB THR 74 - QG1 VAL 14 far 0 54 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (0.96, 0.96, 21.66 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 THR 74 + QG2 THR 74 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 77 77 - 100 QG1 VAL 14 + QG1 VAL 14 OK 49 49 - 100 Peak 2349 from cnoeabs.peaks (7.53, 0.96, 21.66 ppm; 2.98 A): 2 out of 14 assignments used, quality = 0.99: * H GLU 75 + QG2 THR 74 OK 97 100 100 97 2.4-2.5 2344/2.1=48, 7059=45...(15) HD21 ASN 78 + QG2 THR 74 OK 71 75 100 94 2.1-2.4 1.7/8482=69, 8515=58...(8) H GLU 75 - QG1 VAL 76 far 0 90 0 - 5.7-5.8 H ALA 95 - QG1 VAL 14 far 0 53 0 - 6.6-7.5 H ALA 95 - QG1 VAL 76 far 0 90 0 - 7.0-7.8 HZ2 TRP 42 - QG1 VAL 76 far 0 73 0 - 7.3-7.8 HD21 ASN 78 - QG1 VAL 76 far 0 62 0 - 7.3-7.5 H LEU 83 - QG1 VAL 76 far 0 88 0 - 7.3-7.7 HZ2 TRP 42 - QG2 THR 74 far 0 87 0 - 7.8-8.7 H GLU 75 - QG1 VAL 14 far 0 54 0 - 8.0-8.2 H GLN 49 - QG2 THR 74 far 0 63 0 - 8.5-9.0 H LEU 83 - QG1 VAL 14 far 0 52 0 - 8.9-9.4 HZ2 TRP 42 - QG1 VAL 14 far 0 41 0 - 8.9-9.6 HD21 ASN 78 - QG1 VAL 14 far 0 34 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2350 from cnoeabs.peaks (7.53, 4.05, 59.39 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 75 + HA GLU 75 OK 100 100 100 100 2.8-2.9 3.0=100 HD21 ASN 78 + HA GLU 75 OK 69 75 100 92 2.8-3.1 3.5/2359=40, 3.5/2358=36...(12) HZ2 TRP 42 - HA GLU 75 far 0 87 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2351 from cnoeabs.peaks (4.05, 4.05, 59.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HA GLU 75 OK 100 100 - 100 Peak 2352 from cnoeabs.peaks (2.27, 4.05, 59.39 ppm; 2.95 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 75 + HA GLU 75 OK 100 100 100 100 2.3-2.4 3.0=97, 3.0/2354=44...(26) * HB2 GLU 75 + HA GLU 75 OK 100 100 100 100 3.0-3.0 3.0=97, 3.0/2354=44...(26) HB3 GLN 72 - HA GLU 75 far 0 99 0 - 7.8-8.0 HG2 GLN 72 - HA GLU 75 far 0 87 0 - 8.6-8.8 HG3 GLU 101 - HA GLU 75 far 0 98 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 2353 from cnoeabs.peaks (2.27, 4.05, 59.39 ppm; 2.95 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 75 + HA GLU 75 OK 100 100 100 100 2.3-2.4 3.0=97, 3.0/2354=44...(26) HB2 GLU 75 + HA GLU 75 OK 100 100 100 100 3.0-3.0 3.0=97, 3.0/2354=44...(26) HB3 GLN 72 - HA GLU 75 far 0 100 0 - 7.8-8.0 HG2 GLN 72 - HA GLU 75 far 0 88 0 - 8.6-8.8 HG3 GLU 101 - HA GLU 75 far 0 98 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 2354 from cnoeabs.peaks (2.37, 4.05, 59.39 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.96: * HG2 GLU 75 + HA GLU 75 OK 96 100 100 96 2.7-3.4 3.8=52, 2376/3.0=43...(14) HB2 GLN 81 - HA GLU 75 far 0 95 0 - 8.8-10.5 Violated in 4 structures by 0.06 A. Peak 2355 from cnoeabs.peaks (2.59, 4.05, 59.39 ppm; 3.93 A increased from 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 75 + HA GLU 75 OK 100 100 100 100 2.7-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (7.94, 4.05, 59.39 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + HA GLU 75 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2357 from cnoeabs.peaks (8.45, 4.05, 59.39 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.97: * H ASN 78 + HA GLU 75 OK 97 100 100 97 3.6-3.6 7104=51, 2486/2359=48...(11) H THR 74 - HA GLU 75 far 0 91 0 - 5.3-5.3 H ASP 82 - HA GLU 75 far 0 99 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 2358 from cnoeabs.peaks (2.84, 4.05, 59.39 ppm; 4.12 A increased from 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 78 + HA GLU 75 OK 100 100 100 100 4.0-4.0 1.8/2359=83, 2477=78...(11) Violated in 0 structures by 0.00 A. Peak 2359 from cnoeabs.peaks (2.90, 4.05, 59.39 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASN 78 + HA GLU 75 OK 99 100 100 99 2.6-2.7 1.8/2358=67, 2485=56...(11) HB3 ASP 82 - HA GLU 75 far 0 63 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 2360 from cnoeabs.peaks (4.18, 2.27, 29.55 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.99: * HA GLN 72 + HB2 GLU 75 OK 93 100 100 93 3.1-3.5 9943/3.0=43...(9) HA GLN 72 + HB3 GLN 72 OK 88 88 100 100 2.3-2.4 3.0=100 HA GLN 72 - HB3 GLU 75 far 0 100 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 2361 from cnoeabs.peaks (7.53, 2.27, 29.55 ppm; 3.59 A): 3 out of 8 assignments used, quality = 1.00: * H GLU 75 + HB2 GLU 75 OK 100 100 100 100 2.6-2.8 4.0=74, 2383/3.0=58...(18) H GLU 75 + HB3 GLU 75 OK 100 100 100 100 3.6-3.6 4.0=74, 2383/3.0=58...(15) H GLN 86 + HB2 GLN 86 OK 63 64 100 100 3.6-3.7 4.0=73, 7499/1.8=65...(16) HD21 ASN 78 - HB3 GLU 75 far 0 75 0 - 5.1-5.4 H GLU 75 - HB3 GLN 72 far 0 88 0 - 5.7-5.8 HD21 ASN 78 - HB2 GLU 75 far 0 75 0 - 5.8-6.0 H LEU 83 - HB2 GLN 86 far 0 83 0 - 6.2-6.6 HD22 ASN 87 - HB2 GLN 86 far 0 77 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 2362 from cnoeabs.peaks (4.05, 2.27, 29.55 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 75 + HB3 GLU 75 OK 100 100 100 100 2.3-2.4 3.0=100 * HA GLU 75 + HB2 GLU 75 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 75 - HB3 GLN 72 far 0 88 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 2363 from cnoeabs.peaks (2.27, 2.27, 29.55 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 HB3 GLN 72 + HB3 GLN 72 OK 86 86 - 100 HB2 GLN 86 + HB2 GLN 86 OK 84 84 - 100 HB2 GLN 19 + HB2 GLN 19 OK 78 78 - 100 Peak 2364 from cnoeabs.peaks (2.27, 2.27, 29.55 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 HB3 GLN 72 + HB3 GLN 72 OK 86 86 - 100 HB2 GLN 86 + HB2 GLN 86 OK 84 84 - 100 HB2 GLN 19 + HB2 GLN 19 OK 77 77 - 100 Reference assignment not found: HB3 GLU 75 - HB2 GLU 75 Peak 2365 from cnoeabs.peaks (2.37, 2.27, 29.55 ppm; 2.78 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLU 75 + HB2 GLU 75 OK 98 100 100 98 2.4-2.8 3.0=79, 2354/3.0=39...(16) HG2 GLU 75 + HB3 GLU 75 OK 98 100 100 98 2.9-3.0 3.0=79, 2354/3.0=39...(15) HG3 GLN 19 + HB2 GLN 19 OK 67 68 100 98 2.4-2.9 3.0=79, 544/1.8=34...(17) HB2 GLU 101 - HB3 GLN 72 poor 18 77 70 34 3.1-3.4 7257/10491=11...(6) HG2 GLU 75 - HB3 GLN 72 far 0 88 0 - 4.8-6.1 HB3 LEU 17 - HB2 GLN 19 far 0 76 0 - 5.9-7.0 HB2 GLU 101 - HB2 GLU 75 far 0 93 0 - 7.9-8.2 HB2 PRO 100 - HB3 GLN 72 far 0 87 0 - 8.9-9.0 HB2 PHE 41 - HB2 GLN 19 far 0 77 0 - 8.9-11.7 HB2 GLU 101 - HB3 GLU 75 far 0 93 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (2.59, 2.27, 29.55 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 75 + HB2 GLU 75 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 75 + HB3 GLU 75 OK 100 100 100 100 2.5-2.8 3.0=100 HG3 GLU 75 - HB3 GLN 72 far 0 88 0 - 4.6-6.4 Violated in 0 structures by 0.00 A. Peak 2367 from cnoeabs.peaks (7.94, 2.27, 29.55 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 76 + HB2 GLU 75 OK 100 100 100 100 2.2-2.3 4.6=77, 2406/10501=68...(14) H VAL 76 + HB3 GLU 75 OK 99 100 100 99 3.5-3.6 4.6=77, 2389/3.0=54...(11) H VAL 76 - HB3 GLN 72 far 0 88 0 - 6.0-6.2 HD22 ASN 85 - HB2 GLN 86 far 0 56 0 - 6.3-7.5 Violated in 0 structures by 0.00 A. Peak 2368 from cnoeabs.peaks (4.18, 2.27, 29.55 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.99: HA GLN 72 + HB2 GLU 75 OK 93 100 100 93 3.1-3.5 9943/3.0=43...(9) HA GLN 72 + HB3 GLN 72 OK 88 88 100 100 2.3-2.4 3.0=100 ! HA GLN 72 - HB3 GLU 75 far 0 100 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 2369 from cnoeabs.peaks (7.53, 2.27, 29.55 ppm; 3.59 A): 3 out of 8 assignments used, quality = 1.00: H GLU 75 + HB2 GLU 75 OK 100 100 100 100 2.6-2.8 4.0=74, 2383/3.0=58...(18) * H GLU 75 + HB3 GLU 75 OK 100 100 100 100 3.6-3.6 4.0=74, 2383/3.0=58...(15) H GLN 86 + HB2 GLN 86 OK 63 63 100 100 3.6-3.7 4.0=73, 7499/1.8=65...(16) HD21 ASN 78 - HB3 GLU 75 far 0 75 0 - 5.1-5.4 H GLU 75 - HB3 GLN 72 far 0 88 0 - 5.7-5.8 HD21 ASN 78 - HB2 GLU 75 far 0 75 0 - 5.8-6.0 H LEU 83 - HB2 GLN 86 far 0 82 0 - 6.2-6.6 HD22 ASN 87 - HB2 GLN 86 far 0 77 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 2370 from cnoeabs.peaks (4.05, 2.27, 29.55 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 75 + HB3 GLU 75 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLU 75 + HB2 GLU 75 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 75 - HB3 GLN 72 far 0 88 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 2371 from cnoeabs.peaks (2.27, 2.27, 29.55 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 HB3 GLN 72 + HB3 GLN 72 OK 86 86 - 100 HB2 GLN 86 + HB2 GLN 86 OK 84 84 - 100 HB2 GLN 19 + HB2 GLN 19 OK 77 77 - 100 Reference assignment not found: HB2 GLU 75 - HB3 GLU 75 Peak 2372 from cnoeabs.peaks (2.27, 2.27, 29.55 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 HB3 GLN 72 + HB3 GLN 72 OK 87 87 - 100 HB2 GLN 86 + HB2 GLN 86 OK 84 84 - 100 HB2 GLN 19 + HB2 GLN 19 OK 77 77 - 100 Peak 2373 from cnoeabs.peaks (2.37, 2.27, 29.55 ppm; 2.78 A): 3 out of 10 assignments used, quality = 1.00: HG2 GLU 75 + HB2 GLU 75 OK 98 100 100 98 2.4-2.8 3.0=79, 2354/3.0=39...(16) * HG2 GLU 75 + HB3 GLU 75 OK 98 100 100 98 2.9-3.0 3.0=79, 2354/3.0=39...(15) HG3 GLN 19 + HB2 GLN 19 OK 66 67 100 98 2.4-2.9 3.0=79, 544/1.8=34...(17) HB2 GLU 101 - HB3 GLN 72 poor 19 77 70 34 3.1-3.4 7257/10491=11...(6) HG2 GLU 75 - HB3 GLN 72 far 0 88 0 - 4.8-6.1 HB3 LEU 17 - HB2 GLN 19 far 0 75 0 - 5.9-7.0 HB2 GLU 101 - HB2 GLU 75 far 0 93 0 - 7.9-8.2 HB2 PRO 100 - HB3 GLN 72 far 0 88 0 - 8.9-9.0 HB2 PHE 41 - HB2 GLN 19 far 0 76 0 - 8.9-11.7 HB2 GLU 101 - HB3 GLU 75 far 0 93 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 2374 from cnoeabs.peaks (2.59, 2.27, 29.55 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 75 + HB2 GLU 75 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 GLU 75 + HB3 GLU 75 OK 100 100 100 100 2.5-2.8 3.0=100 HG3 GLU 75 - HB3 GLN 72 far 0 88 0 - 4.6-6.4 Violated in 0 structures by 0.00 A. Peak 2375 from cnoeabs.peaks (7.94, 2.27, 29.55 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: H VAL 76 + HB2 GLU 75 OK 100 100 100 100 2.2-2.3 4.6=77, 2406/10501=68...(14) * H VAL 76 + HB3 GLU 75 OK 99 100 100 99 3.5-3.6 4.6=77, 2389/3.0=54...(11) H VAL 76 - HB3 GLN 72 far 0 88 0 - 6.0-6.2 HD22 ASN 85 - HB2 GLN 86 far 0 55 0 - 6.3-7.5 Violated in 0 structures by 0.00 A. Peak 2376 from cnoeabs.peaks (7.53, 2.37, 36.10 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 75 + HG2 GLU 75 OK 100 100 100 100 1.9-2.2 7063=90, 2383/1.8=74...(13) HD21 ASN 78 - HG2 GLU 75 far 0 75 0 - 4.6-5.7 H GLN 49 - HG2 GLU 54 far 0 44 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (4.05, 2.37, 36.10 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 75 + HG2 GLU 75 OK 100 100 100 100 2.7-3.4 2354=100, 3.0/2376=47...(14) HA GLU 54 + HG2 GLU 54 OK 75 75 100 100 3.4-3.6 1619/1.8=70, 1618=58...(26) Violated in 0 structures by 0.00 A. Peak 2378 from cnoeabs.peaks (2.27, 2.37, 36.10 ppm; 2.48 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLU 75 + HG2 GLU 75 OK 92 100 100 92 2.4-2.8 3.0=56, 3.0/2354=30...(15) HB3 GLU 75 + HG2 GLU 75 OK 91 100 100 91 2.9-3.0 3.0=56, 3.0/2354=30...(14) HG3 GLU 54 + HG2 GLU 54 OK 77 77 100 100 1.8-1.8 1.8=100 HB3 GLN 72 - HG2 GLU 75 far 0 99 0 - 4.8-6.1 HG2 GLN 72 - HG2 GLU 75 far 0 87 0 - 6.0-7.4 HG3 GLU 101 - HG2 GLU 75 far 0 98 0 - 6.5-7.8 HG2 GLU 101 - HG2 GLU 75 far 0 98 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 2379 from cnoeabs.peaks (2.27, 2.37, 36.10 ppm; 2.48 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLU 75 + HG2 GLU 75 OK 92 100 100 92 2.4-2.8 3.0=56, 3.0/2354=30...(15) * HB3 GLU 75 + HG2 GLU 75 OK 91 100 100 91 2.9-3.0 3.0=56, 3.0/2354=30...(14) HG3 GLU 54 + HG2 GLU 54 OK 77 77 100 100 1.8-1.8 1.8=100 HB3 GLN 72 - HG2 GLU 75 far 0 100 0 - 4.8-6.1 HG2 GLN 72 - HG2 GLU 75 far 0 88 0 - 6.0-7.4 HG3 GLU 101 - HG2 GLU 75 far 0 98 0 - 6.5-7.8 HG2 GLU 101 - HG2 GLU 75 far 0 99 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (2.37, 2.37, 36.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG2 GLU 54 + HG2 GLU 54 OK 59 59 - 100 Peak 2381 from cnoeabs.peaks (2.59, 2.37, 36.10 ppm; 2.46 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 75 + HG2 GLU 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 53 - HG2 GLU 54 far 0 62 0 - 5.2-6.6 HB2 ASP 46 - HG2 GLU 54 far 0 79 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 2382 from cnoeabs.peaks (7.94, 2.37, 36.10 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + HG2 GLU 75 OK 100 100 100 100 3.7-4.2 5.0=100 Violated in 0 structures by 0.00 A. Peak 2383 from cnoeabs.peaks (7.53, 2.59, 36.10 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HG3 GLU 75 OK 100 100 100 100 2.8-3.1 7064=83, 2376/1.8=69...(14) HD21 ASN 78 - HG3 GLU 75 far 0 75 0 - 4.7-6.5 Violated in 0 structures by 0.00 A. Peak 2384 from cnoeabs.peaks (4.05, 2.59, 36.10 ppm; 4.01 A increased from 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HG3 GLU 75 OK 100 100 100 100 2.7-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 2385 from cnoeabs.peaks (2.27, 2.59, 36.10 ppm; 2.87 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 75 + HG3 GLU 75 OK 99 100 100 99 2.2-3.0 3.0=86, 2379/1.8=27...(20) HB3 GLU 75 + HG3 GLU 75 OK 99 100 100 99 2.5-2.8 3.0=86, 2379/1.8=27...(18) HB3 GLN 72 - HG3 GLU 75 far 0 99 0 - 4.6-6.4 HG3 GLU 101 - HG3 GLU 75 far 0 98 0 - 5.8-7.5 HG2 GLN 72 - HG3 GLU 75 far 0 87 0 - 6.4-7.8 HG2 GLU 101 - HG3 GLU 75 far 0 98 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 2386 from cnoeabs.peaks (2.27, 2.59, 36.10 ppm; 2.87 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 75 + HG3 GLU 75 OK 99 100 100 99 2.2-3.0 3.0=86, 2379/1.8=27...(20) * HB3 GLU 75 + HG3 GLU 75 OK 99 100 100 99 2.5-2.8 3.0=86, 2379/1.8=27...(18) HB3 GLN 72 - HG3 GLU 75 far 0 100 0 - 4.6-6.4 HG3 GLU 101 - HG3 GLU 75 far 0 98 0 - 5.8-7.5 HG2 GLN 72 - HG3 GLU 75 far 0 88 0 - 6.4-7.8 HG2 GLU 101 - HG3 GLU 75 far 0 99 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (2.37, 2.59, 36.10 ppm; 2.46 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 75 + HG3 GLU 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 101 - HG3 GLU 75 far 0 93 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (2.59, 2.59, 36.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 Peak 2389 from cnoeabs.peaks (7.94, 2.59, 36.10 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + HG3 GLU 75 OK 100 100 100 100 4.2-4.6 5.0=85, 7072/2383=68...(8) Violated in 0 structures by 0.00 A. Peak 2390 from cnoeabs.peaks (7.94, 3.52, 66.60 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 76 + HA VAL 76 OK 100 100 100 100 2.8-2.8 3.0=100 H VAL 76 - HA THR 74 far 0 84 0 - 4.8-4.9 H GLN 96 - HA VAL 76 far 0 84 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2391 from cnoeabs.peaks (3.52, 3.52, 66.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA VAL 76 + HA VAL 76 OK 100 100 - 100 HA THR 74 + HA THR 74 OK 66 66 - 100 Peak 2392 from cnoeabs.peaks (1.85, 3.52, 66.60 ppm; 3.69 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 76 + HA VAL 76 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 76 - HA THR 74 far 0 84 0 - 5.6-5.7 HB3 LEU 12 - HA VAL 76 far 0 95 0 - 9.1-9.3 HB3 LEU 12 - HA THR 74 far 0 75 0 - 9.7-9.8 Violated in 0 structures by 0.00 A. Peak 2393 from cnoeabs.peaks (0.29, 3.52, 66.60 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 76 + HA VAL 76 OK 100 100 100 100 2.1-2.3 2407=99, 2406/3.0=43...(21) QG2 VAL 76 - HA THR 74 far 0 84 0 - 6.2-6.4 QG1 VAL 21 - HA VAL 76 far 0 96 0 - 6.5-6.7 QG1 VAL 21 - HA THR 74 far 0 77 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 2394 from cnoeabs.peaks (0.94, 3.52, 66.60 ppm; 2.92 A): 2 out of 7 assignments used, quality = 1.00: * QG1 VAL 76 + HA VAL 76 OK 99 100 100 99 2.4-2.5 3.2=76, 2.1/2393=60...(19) QG2 THR 74 + HA THR 74 OK 67 71 100 95 2.9-2.9 3.2=75, 2345/3.0=34...(12) QG1 VAL 14 - HA VAL 76 far 0 100 0 - 5.0-5.2 QG1 VAL 76 - HA THR 74 far 0 84 0 - 6.1-6.2 QG2 THR 74 - HA VAL 76 far 0 91 0 - 6.4-6.5 QG1 VAL 14 - HA THR 74 far 0 83 0 - 8.2-8.6 HG3 LYS 52 - HA THR 74 far 0 84 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (8.35, 3.52, 66.60 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * H ILE 77 + HA VAL 76 OK 100 100 100 100 3.6-3.6 3.6=100 H ILE 77 + HA THR 74 OK 75 84 100 89 4.0-4.1 7095/2429=38...(8) H ALA 73 - HA THR 74 far 0 52 0 - 5.2-5.3 H ALA 73 - HA VAL 76 far 0 70 0 - 7.5-7.6 H VAL 103 - HA VAL 76 far 0 82 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (8.16, 3.52, 66.60 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 79 + HA VAL 76 OK 100 100 100 100 3.2-3.2 7135=100, 7146/2398=62...(10) H PHE 79 - HA THR 74 far 0 84 0 - 6.6-6.7 HE3 TRP 42 - HA THR 74 far 0 84 0 - 8.0-8.8 H LEU 70 - HA THR 74 far 0 78 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (3.79, 3.52, 66.60 ppm; 3.77 A): 1 out of 7 assignments used, quality = 1.00: * HB2 PHE 79 + HA VAL 76 OK 100 100 100 100 3.2-3.8 1.8/2398=79, 2501=63...(14) HA ALA 73 - HA THR 74 far 0 70 0 - 4.8-4.8 HA ALA 73 - HA VAL 76 far 0 90 0 - 5.5-5.7 HA TRP 80 - HA VAL 76 far 0 94 0 - 5.9-6.1 HA LYS 98 - HA VAL 76 far 0 90 0 - 8.2-9.3 HB2 PHE 79 - HA THR 74 far 0 84 0 - 8.3-9.0 HB3 TRP 16 - HA VAL 76 far 0 99 0 - 9.3-10.1 Violated in 1 structures by 0.00 A. Peak 2398 from cnoeabs.peaks (3.67, 3.52, 66.60 ppm; 3.59 A): 1 out of 3 assignments used, quality = 0.99: * HB3 PHE 79 + HA VAL 76 OK 99 100 100 99 2.4-2.8 1.8/2397=68, 2510=51...(15) HB3 PHE 79 - HA THR 74 far 0 84 0 - 8.2-8.7 HA GLN 96 - HA VAL 76 far 0 79 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (3.81, 1.85, 31.40 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 73 + HB VAL 76 OK 100 100 100 100 2.8-2.9 2326=93, 9960/2.1=71...(14) HB2 PHE 79 - HB VAL 76 far 0 90 0 - 6.1-6.7 HB3 TRP 16 - HB VAL 76 far 0 71 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (7.94, 1.85, 31.40 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + HB VAL 76 OK 100 100 100 100 2.4-2.4 7079=90, 2406/2.1=72...(13) Violated in 0 structures by 0.00 A. Peak 2401 from cnoeabs.peaks (3.52, 1.85, 31.40 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 76 + HB VAL 76 OK 100 100 100 100 3.0-3.0 3.0=100 HA THR 74 - HB VAL 76 far 0 85 0 - 5.6-5.7 Violated in 0 structures by 0.00 A. Peak 2402 from cnoeabs.peaks (1.85, 1.85, 31.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 76 + HB VAL 76 OK 100 100 - 100 Peak 2403 from cnoeabs.peaks (0.29, 1.85, 31.40 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 21 - HB VAL 76 far 0 96 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 2404 from cnoeabs.peaks (0.94, 1.85, 31.40 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 14 - HB VAL 76 far 0 100 0 - 4.0-4.3 QG2 THR 74 - HB VAL 76 far 0 91 0 - 6.2-6.2 HB2 LEU 15 - HB VAL 76 far 0 96 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2405 from cnoeabs.peaks (8.35, 1.85, 31.40 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 77 + HB VAL 76 OK 100 100 100 100 2.3-2.4 7091=100, 2417/2.1=71...(8) H ALA 73 - HB VAL 76 far 0 70 0 - 5.3-5.4 H VAL 103 - HB VAL 76 far 0 82 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 2406 from cnoeabs.peaks (7.94, 0.29, 21.33 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.3-2.5 7080=82, 2400/2.1=58...(15) H GLN 96 - QG2 VAL 76 far 0 84 0 - 6.9-7.4 HE21 GLN 96 - QG2 VAL 76 far 0 85 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (3.52, 0.29, 21.33 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-2.3 2393=100, 3.0/2406=43...(21) HA GLU 56 - QD2 LEU 55 far 0 47 0 - 5.8-5.9 HA THR 74 - QG2 VAL 76 far 0 85 0 - 6.2-6.4 HB2 SER 38 - QD2 LEU 55 far 0 39 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 2408 from cnoeabs.peaks (1.85, 0.29, 21.33 ppm; 2.94 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 12 - QG2 VAL 76 far 0 95 0 - 5.2-5.4 HB VAL 103 - QG2 VAL 76 far 0 87 0 - 7.0-7.9 HB3 GLU 56 - QD2 LEU 55 far 0 58 0 - 7.2-7.3 HB3 LEU 12 - QD2 LEU 55 far 0 55 0 - 8.2-8.4 HB3 GLN 96 - QG2 VAL 76 far 0 82 0 - 8.2-8.8 HB ILE 67 - QD2 LEU 55 far 0 37 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 2409 from cnoeabs.peaks (0.29, 0.29, 21.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 76 + QG2 VAL 76 OK 100 100 - 100 QD2 LEU 55 + QD2 LEU 55 OK 33 33 - 100 Peak 2410 from cnoeabs.peaks (0.94, 0.29, 21.33 ppm; 2.66 A): 2 out of 8 assignments used, quality = 1.00: * QG1 VAL 76 + QG2 VAL 76 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 25 + QD2 LEU 55 OK 25 37 100 68 1.9-2.0 2.1/8150=15, 8947=15...(14) QG1 VAL 14 - QG2 VAL 76 far 0 100 0 - 3.3-3.5 QG2 THR 74 - QG2 VAL 76 far 0 91 0 - 5.9-6.0 HG3 LYS 52 - QD2 LEU 55 far 0 63 0 - 6.8-7.3 HB2 LEU 15 - QG2 VAL 76 far 0 96 0 - 8.6-8.8 HG13 ILE 28 - QD2 LEU 55 far 0 58 0 - 8.6-8.8 QG1 VAL 25 - QG2 VAL 76 far 0 70 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 2411 from cnoeabs.peaks (8.35, 0.29, 21.33 ppm; 3.98 A increased from 3.75 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 77 + QG2 VAL 76 OK 100 100 100 100 3.8-3.9 7092=100, 2417/2.1=80...(10) H ALA 73 - QG2 VAL 76 far 0 70 0 - 4.9-5.1 H VAL 103 - QG2 VAL 76 far 0 82 0 - 5.0-5.2 H ASP 53 - QD2 LEU 55 far 0 32 0 - 5.9-6.7 H ALA 73 - QD2 LEU 55 far 0 37 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (7.94, 0.94, 21.61 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 76 + QG1 VAL 76 OK 100 100 100 100 3.7-3.7 3.9=94, 2406/2.1=82...(9) H VAL 76 - QG2 THR 74 far 0 90 0 - 4.6-4.7 H GLN 96 - QG1 VAL 76 far 0 84 0 - 7.3-7.9 HE21 GLN 96 - QG1 VAL 76 far 0 85 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 2413 from cnoeabs.peaks (3.52, 0.94, 21.61 ppm; 2.96 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 76 + QG1 VAL 76 OK 99 100 100 99 2.4-2.5 3.2=79, 2393/2.1=61...(19) HA THR 74 + QG2 THR 74 OK 69 72 100 96 2.9-2.9 3.2=78, 3.0/7048=32...(12) HA THR 74 - QG1 VAL 76 far 0 85 0 - 6.1-6.2 HA VAL 76 - QG2 THR 74 far 0 90 0 - 6.4-6.5 HD2 PRO 43 - QG1 VAL 76 far 0 99 0 - 9.0-10.6 HA PRO 43 - QG1 VAL 76 far 0 100 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 2414 from cnoeabs.peaks (1.85, 0.94, 21.61 ppm; 3.07 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 76 - QG2 THR 74 far 0 90 0 - 6.2-6.2 HB3 LEU 12 - QG1 VAL 76 far 0 95 0 - 6.8-6.9 HB VAL 103 - QG1 VAL 76 far 0 87 0 - 7.6-8.6 HB2 LEU 17 - QG1 VAL 76 far 0 98 0 - 8.6-9.3 HB3 GLN 96 - QG1 VAL 76 far 0 82 0 - 8.6-9.5 HB3 LEU 12 - QG2 THR 74 far 0 82 0 - 9.1-9.4 HB ILE 67 - QG2 THR 74 far 0 57 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (0.29, 0.94, 21.61 ppm; 2.70 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 76 + QG1 VAL 76 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 21 - QG1 VAL 76 far 0 96 0 - 4.1-4.2 QG2 VAL 76 - QG2 THR 74 far 0 90 0 - 5.9-6.0 QG1 VAL 21 - QG2 THR 74 far 0 84 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 2416 from cnoeabs.peaks (0.94, 0.94, 21.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 76 + QG1 VAL 76 OK 100 100 - 100 QG2 THR 74 + QG2 THR 74 OK 77 77 - 100 Peak 2417 from cnoeabs.peaks (8.35, 0.94, 21.61 ppm; 3.58 A): 1 out of 6 assignments used, quality = 0.99: * H ILE 77 + QG1 VAL 76 OK 99 100 100 99 2.7-2.9 7093=66, 7091/2.1=65...(10) H ALA 73 - QG2 THR 74 far 0 57 0 - 5.2-5.3 H ILE 77 - QG2 THR 74 far 0 90 0 - 5.2-5.3 H VAL 103 - QG1 VAL 76 far 0 82 0 - 5.9-6.2 H ALA 73 - QG1 VAL 76 far 0 70 0 - 6.3-6.5 H GLN 89 - QG1 VAL 76 far 0 88 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 2418 from cnoeabs.peaks (8.35, 3.40, 66.01 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 77 + HA ILE 77 OK 100 100 100 100 2.7-2.8 3.0=100 H ALA 73 - HA ILE 77 far 0 70 0 - 8.6-8.7 Violated in 0 structures by 0.00 A. Peak 2419 from cnoeabs.peaks (3.40, 3.40, 66.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 77 + HA ILE 77 OK 100 100 - 100 Peak 2420 from cnoeabs.peaks (1.46, 3.40, 66.01 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 77 + HA ILE 77 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 47 - HA ILE 77 far 0 70 0 - 5.8-6.0 HG2 PRO 43 - HA ILE 77 far 0 93 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2421 from cnoeabs.peaks (-0.33, 3.40, 66.01 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + HA ILE 77 OK 100 100 100 100 2.4-2.5 3.2=100 Violated in 0 structures by 0.00 A. Peak 2422 from cnoeabs.peaks (0.50, 3.40, 66.01 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 77 + HA ILE 77 OK 100 100 100 100 2.5-2.5 4.1=75, 1.8/2423=70...(17) QG2 VAL 14 - HA ILE 77 far 0 100 0 - 4.7-5.0 QD2 LEU 51 - HA ILE 77 far 0 88 0 - 8.3-8.8 HG3 LYS 98 - HA ILE 77 far 0 85 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 2423 from cnoeabs.peaks (1.57, 3.40, 66.01 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 77 + HA ILE 77 OK 100 100 100 100 2.8-2.9 2455=86, 1.8/2422=78...(16) HB3 LEU 83 - HA ILE 77 far 0 96 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (0.58, 3.40, 66.01 ppm; 3.99 A increased from 3.76 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 77 + HA ILE 77 OK 100 100 100 100 3.8-3.8 3.9=100 QD1 LEU 83 - HA ILE 77 far 0 96 0 - 6.7-8.0 QD2 LEU 83 - HA ILE 77 far 0 88 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (8.45, 3.40, 66.01 ppm; 4.94 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 78 + HA ILE 77 OK 100 100 100 100 3.5-3.5 3.6=100 H ASP 82 - HA ILE 77 far 0 99 0 - 6.6-6.9 H ALA 22 - HA ILE 77 far 0 100 0 - 7.3-7.6 H TRP 48 - HA ILE 77 far 0 59 0 - 7.4-7.7 H THR 74 - HA ILE 77 far 0 91 0 - 7.5-7.6 Violated in 0 structures by 0.00 A. Peak 2426 from cnoeabs.peaks (8.88, 3.40, 66.01 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H TRP 80 + HA ILE 77 OK 100 100 100 100 3.7-3.8 7153=100, 7165/2428=73...(8) H LEU 15 - HA ILE 77 far 0 99 0 - 7.6-8.0 H ALA 24 - HA ILE 77 far 0 61 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 2427 from cnoeabs.peaks (3.24, 3.40, 66.01 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 80 + HA ILE 77 OK 100 100 100 100 3.9-4.3 1.8/2428=97, 3.6/7153=73...(4) Violated in 0 structures by 0.00 A. Peak 2428 from cnoeabs.peaks (3.47, 3.40, 66.01 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.96: * HB3 TRP 80 + HA ILE 77 OK 96 100 100 96 2.9-3.0 2538=54, 7165/7153=50...(6) Violated in 0 structures by 0.00 A. Peak 2429 from cnoeabs.peaks (3.54, 1.46, 37.28 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 74 + HB ILE 77 OK 100 100 100 100 3.0-3.1 2338=100, 9907/2.1=70...(9) HA VAL 76 - HB ILE 77 far 0 85 0 - 5.7-5.8 HA TRP 48 - HB ILE 77 far 0 65 0 - 6.3-6.7 HA PRO 43 - HB ILE 77 far 0 77 0 - 8.2-8.8 HD2 PRO 43 - HB ILE 77 far 0 96 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 2430 from cnoeabs.peaks (8.35, 1.46, 37.28 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 77 + HB ILE 77 OK 100 100 100 100 2.4-2.5 7095=100, 2438/2.1=66...(10) H ALA 73 - HB ILE 77 far 0 70 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 2431 from cnoeabs.peaks (3.40, 1.46, 37.28 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 77 + HB ILE 77 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 TRP 48 + HB ILE 77 OK 24 100 25 96 4.4-6.6 9322/3.2=68, ~8509=51...(5) HB3 PHE 40 - HB ILE 77 far 0 100 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 2432 from cnoeabs.peaks (1.46, 1.46, 37.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 77 + HB ILE 77 OK 100 100 - 100 Peak 2433 from cnoeabs.peaks (-0.33, 1.46, 37.28 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + HB ILE 77 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2434 from cnoeabs.peaks (0.50, 1.46, 37.28 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 77 + HB ILE 77 OK 100 100 100 100 3.0-3.0 3.0=100 QG2 VAL 14 - HB ILE 77 far 0 100 0 - 5.6-5.9 QD2 LEU 51 - HB ILE 77 far 0 88 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 2435 from cnoeabs.peaks (1.57, 1.46, 37.28 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 77 + HB ILE 77 OK 100 100 100 100 2.5-2.5 3.0=100 HB2 LEU 70 - HB ILE 77 far 0 71 0 - 9.0-9.1 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (0.58, 1.46, 37.28 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 77 + HB ILE 77 OK 100 100 100 100 2.3-2.4 3.2=100 QD1 LEU 83 - HB ILE 77 far 0 96 0 - 9.0-10.2 QD2 LEU 83 - HB ILE 77 far 0 88 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (8.45, 1.46, 37.28 ppm; 4.47 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 78 + HB ILE 77 OK 100 100 100 100 2.9-3.0 4.5=98, 7107/7095=72...(5) H THR 74 - HB ILE 77 far 0 91 0 - 5.1-5.2 H TRP 48 - HB ILE 77 far 0 59 0 - 5.7-5.9 H ASP 82 - HB ILE 77 far 0 99 0 - 8.3-8.5 H ALA 22 - HB ILE 77 far 0 100 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 2438 from cnoeabs.peaks (8.35, -0.33, 14.52 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 77 + QG2 ILE 77 OK 100 100 100 100 3.7-3.8 4.0=89, 7095/2.1=78...(12) H ALA 73 - QG2 ILE 77 far 0 70 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (3.40, -0.33, 14.52 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 77 + QG2 ILE 77 OK 100 100 100 100 2.4-2.5 3.2=100 HB3 TRP 48 - QG2 ILE 77 far 5 100 5 - 4.2-5.7 HB3 PHE 40 - QG2 ILE 77 far 0 100 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (1.46, -0.33, 14.52 ppm; 3.32 A): 2 out of 5 assignments used, quality = 1.00: * HB ILE 77 + QG2 ILE 77 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 47 + QG2 ILE 77 OK 37 70 75 71 3.8-4.1 8304/2465=34...(9) HG2 PRO 43 - QG2 ILE 77 far 0 93 0 - 6.6-7.9 QB ALA 45 - QG2 ILE 77 far 0 100 0 - 7.8-8.3 HB3 LEU 51 - QG2 ILE 77 far 0 88 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (-0.33, -0.33, 14.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + QG2 ILE 77 OK 100 100 - 100 Peak 2442 from cnoeabs.peaks (0.50, -0.33, 14.52 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 77 + QG2 ILE 77 OK 100 100 100 100 2.4-2.4 3.1=100 QG2 VAL 14 - QG2 ILE 77 far 0 100 0 - 5.6-5.8 QD2 LEU 51 - QG2 ILE 77 far 0 88 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 2443 from cnoeabs.peaks (1.57, -0.33, 14.52 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 77 + QG2 ILE 77 OK 100 100 100 100 3.2-3.2 3.1=100 HG2 ARG 44 - QG2 ILE 77 far 0 100 0 - 8.5-10.7 HB3 LEU 83 - QG2 ILE 77 far 0 96 0 - 8.8-10.2 HB2 LEU 70 - QG2 ILE 77 far 0 71 0 - 8.9-9.1 HG3 ARG 44 - QG2 ILE 77 far 0 100 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 2444 from cnoeabs.peaks (0.58, -0.33, 14.52 ppm; 3.05 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 77 + QG2 ILE 77 OK 100 100 100 100 1.9-2.0 2465=100, 2464/2.1=38...(19) HB2 PRO 43 - QG2 ILE 77 far 0 100 0 - 6.7-7.2 QD1 LEU 83 - QG2 ILE 77 far 0 96 0 - 7.3-8.5 QD2 LEU 83 - QG2 ILE 77 far 0 88 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 2445 from cnoeabs.peaks (8.45, -0.33, 14.52 ppm; 4.48 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 78 + QG2 ILE 77 OK 100 100 100 100 3.4-3.5 3.9=100 H TRP 48 + QG2 ILE 77 OK 52 59 100 88 4.4-4.6 2469/2465=73, ~9319=33...(5) H THR 74 - QG2 ILE 77 far 0 91 0 - 6.2-6.3 H ASP 82 - QG2 ILE 77 far 0 99 0 - 6.2-6.5 H ALA 22 - QG2 ILE 77 far 0 100 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 2446 from cnoeabs.peaks (8.35, 0.50, 29.37 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 77 + HG12 ILE 77 OK 100 100 100 100 3.5-3.7 7098/1.8=86, 7099/2.1=81...(10) H ALA 73 - HG12 ILE 77 far 0 70 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (3.40, 0.50, 29.37 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 77 + HG12 ILE 77 OK 100 100 100 100 2.5-2.5 4.1=100 HB3 TRP 48 - HG12 ILE 77 far 0 100 0 - 5.2-7.4 HB3 PHE 40 - HG12 ILE 77 far 0 100 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (1.46, 0.50, 29.37 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: * HB ILE 77 + HG12 ILE 77 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 47 + HG12 ILE 77 OK 63 70 100 91 3.7-4.0 8304/2.1=62...(7) HB3 LEU 51 - HG12 ILE 77 far 0 88 0 - 8.4-8.9 QB ALA 45 - HG12 ILE 77 far 0 100 0 - 9.0-9.5 HG2 PRO 43 - HG12 ILE 77 far 0 93 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 2449 from cnoeabs.peaks (-0.33, 0.50, 29.37 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + HG12 ILE 77 OK 100 100 100 100 2.4-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 2450 from cnoeabs.peaks (0.50, 0.50, 29.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 77 + HG12 ILE 77 OK 100 100 - 100 Peak 2451 from cnoeabs.peaks (1.57, 0.50, 29.37 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 77 + HG12 ILE 77 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 44 - HG12 ILE 77 far 0 100 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 2452 from cnoeabs.peaks (0.58, 0.50, 29.37 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 77 + HG12 ILE 77 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 83 - HG12 ILE 77 far 0 96 0 - 8.4-9.8 HB2 PRO 43 - HG12 ILE 77 far 0 100 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 2454 from cnoeabs.peaks (8.35, 1.57, 29.37 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 77 + HG13 ILE 77 OK 100 100 100 100 2.2-2.4 7098=100, 7099/2.1=79...(11) H ALA 73 - HG13 ILE 77 far 0 70 0 - 6.3-6.6 H ASP 53 - HB2 ARG 66 far 0 41 0 - 6.9-7.7 H VAL 103 - HG13 ILE 77 far 0 82 0 - 9.5-10.0 H ALA 73 - HB2 ARG 66 far 0 47 0 - 9.6-9.9 H ASP 53 - HB3 LYS 58 far 0 32 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2455 from cnoeabs.peaks (3.40, 1.57, 29.37 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 77 + HG13 ILE 77 OK 100 100 100 100 2.8-2.9 2423=100, 2422/1.8=84...(16) HB3 TRP 48 - HG13 ILE 77 far 0 100 0 - 4.9-7.2 HB3 PHE 40 - HG13 ILE 77 far 0 100 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 2456 from cnoeabs.peaks (1.46, 1.57, 29.37 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 77 + HG13 ILE 77 OK 99 100 100 99 2.5-2.5 3.0=92, 2464/2.1=35...(10) HG3 LYS 58 + HB3 LYS 58 OK 63 63 100 100 2.8-2.9 3.0=95, 9622/8377=27...(17) HG LEU 70 - HB2 ARG 66 far 0 47 0 - 3.9-4.3 QB ALA 47 - HG13 ILE 77 far 0 70 0 - 4.3-4.6 QB ALA 57 - HB3 LYS 58 far 0 53 0 - 4.7-4.8 HB3 LEU 51 - HB2 ARG 66 far 0 63 0 - 7.4-8.5 QB ALA 57 - HB2 ARG 66 far 0 67 0 - 7.7-8.1 HB3 LEU 51 - HG13 ILE 77 far 0 88 0 - 7.9-8.3 HB2 LEU 36 - HB3 LYS 58 far 0 63 0 - 7.9-8.3 HB2 LEU 36 - HB2 ARG 66 far 0 78 0 - 9.2-9.6 HG3 LYS 58 - HB2 ARG 66 far 0 78 0 - 9.4-10.3 QB ALA 45 - HG13 ILE 77 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (-0.33, 1.57, 29.37 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + HG13 ILE 77 OK 100 100 100 100 3.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (0.50, 1.57, 29.37 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 77 + HG13 ILE 77 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 14 + HG13 ILE 77 OK 32 100 100 32 3.7-4.0 7097/7098=19...(4) HB2 LYS 52 - HB2 ARG 66 far 0 58 0 - 4.6-6.5 QD2 LEU 51 - HB2 ARG 66 far 0 63 0 - 5.3-6.1 QD2 LEU 51 - HG13 ILE 77 far 0 88 0 - 5.9-6.5 HB2 LYS 52 - HB3 LYS 58 far 0 45 0 - 9.8-10.9 QD2 LEU 51 - HB3 LYS 58 far 0 50 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (1.57, 1.57, 29.37 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG13 ILE 77 + HG13 ILE 77 OK 100 100 - 100 HB2 ARG 66 + HB2 ARG 66 OK 71 71 - 100 HB3 LYS 58 + HB3 LYS 58 OK 53 53 - 100 Peak 2460 from cnoeabs.peaks (0.58, 1.57, 29.37 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 77 + HG13 ILE 77 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 83 - HG13 ILE 77 far 0 96 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 2462 from cnoeabs.peaks (8.35, 0.58, 13.39 ppm; 3.75 A increased from 3.53 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 77 + QD1 ILE 77 OK 100 100 100 100 3.6-3.6 7099=100, 7098/2.1=68...(11) H ALA 73 - QD1 ILE 77 far 0 70 0 - 5.6-5.8 H ASP 53 - QD1 ILE 77 far 0 61 0 - 8.8-9.5 H VAL 103 - QD1 ILE 77 far 0 82 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 2463 from cnoeabs.peaks (3.40, 0.58, 13.39 ppm; 3.96 A increased from 3.34 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 77 + QD1 ILE 77 OK 100 100 100 100 3.8-3.8 3.9=100 HB3 TRP 48 + QD1 ILE 77 OK 100 100 100 100 2.4-4.2 9322=79, 1.8/8509=78...(8) HB3 PHE 40 - QD1 ILE 77 far 0 100 0 - 5.7-6.1 Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (1.46, 0.58, 13.39 ppm; 3.03 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 77 + QD1 ILE 77 OK 99 100 100 99 2.3-2.4 3.2=83, 2.1/2465=62...(13) QB ALA 47 + QD1 ILE 77 OK 64 70 100 93 2.0-2.3 8304=45, 8303/8546=32...(14) HB3 LEU 51 - QD1 ILE 77 far 0 88 0 - 5.3-5.7 QB ALA 45 - QD1 ILE 77 far 0 100 0 - 6.9-7.3 HG LEU 70 - QD1 ILE 77 far 0 70 0 - 7.7-8.0 HG2 PRO 43 - QD1 ILE 77 far 0 93 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (-0.33, 0.58, 13.39 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 77 + QD1 ILE 77 OK 100 100 100 100 1.9-2.0 2444=95, 2.1/2464=37...(19) Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (0.50, 0.58, 13.39 ppm; 2.71 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 77 + QD1 ILE 77 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 51 - QD1 ILE 77 far 0 88 0 - 4.3-4.7 QG2 VAL 14 - QD1 ILE 77 far 0 100 0 - 4.4-4.7 HB2 LYS 52 - QD1 ILE 77 far 0 82 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 2467 from cnoeabs.peaks (1.57, 0.58, 13.39 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 77 + QD1 ILE 77 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 70 - QD1 ILE 77 far 0 71 0 - 6.8-7.1 HG2 ARG 44 - QD1 ILE 77 far 0 100 0 - 8.6-10.6 HB3 LYS 13 - QD1 ILE 77 far 0 82 0 - 8.9-10.2 HG3 ARG 44 - QD1 ILE 77 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2468 from cnoeabs.peaks (0.58, 0.58, 13.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 77 + QD1 ILE 77 OK 100 100 - 100 Peak 2469 from cnoeabs.peaks (8.45, 0.58, 13.39 ppm; 3.93 A): 1 out of 5 assignments used, quality = 0.58: H TRP 48 + QD1 ILE 77 OK 58 59 100 98 2.7-2.9 3.6/10789=62...(8) H THR 74 - QD1 ILE 77 far 0 91 0 - 4.6-4.8 ! H ASN 78 - QD1 ILE 77 far 0 100 0 - 4.8-4.9 H ALA 22 - QD1 ILE 77 far 0 100 0 - 6.6-6.8 H ASP 82 - QD1 ILE 77 far 0 99 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 2470 from cnoeabs.peaks (8.45, 4.38, 55.64 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 78 + HA ASN 78 OK 100 100 100 100 2.9-2.9 2.9=100 H ASP 82 - HA ASN 78 far 0 99 0 - 4.6-5.0 H THR 74 - HA ASN 78 far 0 91 0 - 8.4-8.6 H TRP 48 - HA ASN 78 far 0 59 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 2471 from cnoeabs.peaks (4.38, 4.38, 55.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 78 + HA ASN 78 OK 100 100 - 100 Peak 2472 from cnoeabs.peaks (2.84, 4.38, 55.64 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 78 + HA ASN 78 OK 100 100 100 100 2.7-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2473 from cnoeabs.peaks (2.90, 4.38, 55.64 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 78 + HA ASN 78 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ASP 82 - HA ASN 78 far 0 63 0 - 5.3-5.7 HB2 ASN 85 - HA ASN 78 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (7.57, 4.38, 55.64 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 78 + HA ASN 78 OK 100 100 100 100 4.2-4.3 4.5=97, 7122/2.9=56...(6) H GLU 75 - HA ASN 78 far 0 75 0 - 7.2-7.3 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (6.75, 4.38, 55.64 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 78 + HA ASN 78 OK 100 100 100 100 4.4-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (8.16, 4.38, 55.64 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 79 + HA ASN 78 OK 100 100 100 100 3.5-3.5 3.6=100 HE3 TRP 42 - HA ASN 78 far 0 100 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 2477 from cnoeabs.peaks (4.05, 2.84, 37.16 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HB2 ASN 78 OK 100 100 100 100 4.0-4.0 2358=100, 2359/1.8=92...(11) Violated in 0 structures by 0.00 A. Peak 2478 from cnoeabs.peaks (8.45, 2.84, 37.16 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 78 + HB2 ASN 78 OK 100 100 100 100 3.4-3.5 4.1=97, 2486/1.8=75...(8) H ASP 82 - HB2 ASN 78 far 0 99 0 - 5.4-5.8 H THR 74 - HB2 ASN 78 far 0 91 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 2479 from cnoeabs.peaks (4.38, 2.84, 37.16 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 78 + HB2 ASN 78 OK 100 100 100 100 2.7-2.7 3.0=100 HA ASP 82 - HB2 ASN 78 far 0 65 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 2480 from cnoeabs.peaks (2.84, 2.84, 37.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 78 + HB2 ASN 78 OK 100 100 - 100 Peak 2481 from cnoeabs.peaks (2.90, 2.84, 37.16 ppm; 2.90 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 78 + HB2 ASN 78 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 82 - HB2 ASN 78 far 0 63 0 - 5.1-5.6 HB2 ASN 85 - HB2 ASN 78 far 0 100 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 2482 from cnoeabs.peaks (7.57, 2.84, 37.16 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 78 + HB2 ASN 78 OK 100 100 100 100 3.0-3.1 3.5=100 H GLU 75 - HB2 ASN 78 far 0 75 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (6.75, 2.84, 37.16 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 78 + HB2 ASN 78 OK 100 100 100 100 3.8-3.9 3.5=100 HE21 GLN 86 - HB2 ASN 78 far 0 96 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 2484 from cnoeabs.peaks (8.16, 2.84, 37.16 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 79 + HB2 ASN 78 OK 99 100 100 99 3.4-3.5 4.6=99 Violated in 0 structures by 0.00 A. Peak 2485 from cnoeabs.peaks (4.05, 2.90, 37.16 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HB3 ASN 78 OK 100 100 100 100 2.6-2.7 2359=100, 2358/1.8=90...(11) Violated in 0 structures by 0.00 A. Peak 2486 from cnoeabs.peaks (8.45, 2.90, 37.16 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 78 + HB3 ASN 78 OK 100 100 100 100 2.2-2.2 4.1=99, 2478/1.8=77...(8) H ASP 82 - HB2 ASN 85 far 0 77 0 - 5.9-8.0 H ASP 82 - HB3 ASN 78 far 0 99 0 - 6.4-6.8 H THR 74 - HB3 ASN 78 far 0 91 0 - 6.5-6.7 H TRP 48 - HB3 ASN 78 far 0 59 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 2487 from cnoeabs.peaks (4.38, 2.90, 37.16 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * HA ASN 78 + HB3 ASN 78 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASN 85 + HB2 ASN 85 OK 65 65 100 100 2.3-3.0 3.0=100 HA ASP 82 - HB2 ASN 85 poor 14 45 55 56 3.2-5.3 10389/3.5=24...(5) HA ASP 82 - HB3 ASN 78 far 0 65 0 - 8.2-8.9 HA ASN 78 - HB2 ASN 85 far 0 79 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2488 from cnoeabs.peaks (2.84, 2.90, 37.16 ppm; 2.85 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 78 + HB3 ASN 78 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 88 - HB2 ASN 85 far 0 45 0 - 7.8-10.0 HB2 ASN 78 - HB2 ASN 85 far 0 79 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 2489 from cnoeabs.peaks (2.90, 2.90, 37.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 78 + HB3 ASN 78 OK 100 100 - 100 HB2 ASN 85 + HB2 ASN 85 OK 79 79 - 100 Peak 2490 from cnoeabs.peaks (7.57, 2.90, 37.16 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 78 + HB3 ASN 78 OK 100 100 100 100 2.1-2.2 3.5=100 H GLN 86 + HB2 ASN 85 OK 73 79 100 93 2.6-4.2 7493=59, 7494/1.8=57...(8) H GLU 75 - HB3 ASN 78 far 0 75 0 - 4.7-4.9 HD22 ASN 87 - HB2 ASN 85 far 0 72 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 2491 from cnoeabs.peaks (6.75, 2.90, 37.16 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 78 + HB3 ASN 78 OK 100 100 100 100 3.4-3.5 3.5=100 HE21 GLN 86 - HB2 ASN 85 far 0 71 0 - 6.6-8.5 HE21 GLN 89 - HB2 ASN 85 far 0 77 0 - 7.4-15.3 Violated in 0 structures by 0.00 A. Peak 2492 from cnoeabs.peaks (8.16, 2.90, 37.16 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HB3 ASN 78 OK 100 100 100 100 3.0-3.0 7141=100, 2484/1.8=73...(6) Violated in 0 structures by 0.00 A. Peak 2493 from cnoeabs.peaks (8.16, 4.74, 60.43 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HA PHE 79 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2494 from cnoeabs.peaks (4.74, 4.74, 60.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + HA PHE 79 OK 100 100 - 100 Peak 2495 from cnoeabs.peaks (3.79, 4.74, 60.43 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 79 + HA PHE 79 OK 100 100 100 100 2.3-2.5 3.0=100 HA TRP 80 - HA PHE 79 far 0 94 0 - 4.8-4.9 HA LYS 98 - HA PHE 79 far 0 90 0 - 9.4-10.9 HA LYS 84 - HA PHE 79 far 0 96 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2496 from cnoeabs.peaks (3.67, 4.74, 60.43 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 79 + HA PHE 79 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 83 - HA PHE 79 far 14 92 15 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 2497 from cnoeabs.peaks (7.68, 4.74, 60.43 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.98: * QD PHE 79 + HA PHE 79 OK 98 100 100 98 2.1-2.7 3.7=80, 7147/3.0=38...(10) H LYS 84 - HA PHE 79 far 0 85 0 - 6.9-7.2 HE3 TRP 16 - HA PHE 79 far 0 100 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 2500 from cnoeabs.peaks (8.88, 4.74, 60.43 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 80 + HA PHE 79 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (3.52, 3.79, 40.05 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 76 + HB2 PHE 79 OK 100 100 100 100 3.2-3.8 2397=100, 2398/1.8=94...(14) HA THR 74 - HB2 PHE 79 far 0 85 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (8.16, 3.79, 40.05 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HB2 PHE 79 OK 100 100 100 100 2.4-2.9 7145=100, 7146/1.8=89...(10) Violated in 0 structures by 0.00 A. Peak 2503 from cnoeabs.peaks (4.74, 3.79, 40.05 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + HB2 PHE 79 OK 100 100 100 100 2.3-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2504 from cnoeabs.peaks (3.79, 3.79, 40.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + HB2 PHE 79 OK 100 100 - 100 Peak 2505 from cnoeabs.peaks (3.67, 3.79, 40.05 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 79 + HB2 PHE 79 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 83 - HB2 PHE 79 far 0 92 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 2506 from cnoeabs.peaks (7.68, 3.79, 40.05 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 79 + HB2 PHE 79 OK 100 100 100 100 2.5-2.7 2.4=100 HE3 TRP 16 - HB2 PHE 79 far 0 100 0 - 8.4-9.2 H LYS 84 - HB2 PHE 79 far 0 85 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (8.88, 3.79, 40.05 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 80 + HB2 PHE 79 OK 100 100 100 100 3.7-4.0 4.7=96, 7159/1.8=93...(15) Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (3.52, 3.67, 40.05 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 76 + HB3 PHE 79 OK 100 100 100 100 2.4-2.8 2398=100, 2397/1.8=93...(15) HA THR 74 - HB3 PHE 79 far 0 85 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 2511 from cnoeabs.peaks (8.16, 3.67, 40.05 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HB3 PHE 79 OK 100 100 100 100 2.2-2.7 7146=100, 7145/1.8=93...(7) Violated in 0 structures by 0.00 A. Peak 2512 from cnoeabs.peaks (4.74, 3.67, 40.05 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 79 + HB3 PHE 79 OK 100 100 100 100 3.0-3.0 3.0=100 HA TRP 16 - HB3 PHE 79 far 0 77 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 2513 from cnoeabs.peaks (3.79, 3.67, 40.05 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 79 + HB3 PHE 79 OK 100 100 100 100 1.8-1.8 1.8=100 HA TRP 80 - HB3 PHE 79 far 9 94 10 - 4.0-4.5 HA LYS 98 - HB3 PHE 79 far 0 90 0 - 7.8-9.2 HA ALA 73 - HB3 PHE 79 far 0 90 0 - 7.9-8.3 HB3 TRP 16 - HB3 PHE 79 far 0 99 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 2514 from cnoeabs.peaks (3.67, 3.67, 40.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + HB3 PHE 79 OK 100 100 - 100 Peak 2515 from cnoeabs.peaks (7.68, 3.67, 40.05 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 79 + HB3 PHE 79 OK 100 100 100 100 2.3-2.3 2.4=100 HE3 TRP 16 - HB3 PHE 79 far 0 100 0 - 6.7-7.6 H LYS 84 - HB3 PHE 79 far 0 85 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 2518 from cnoeabs.peaks (8.88, 3.67, 40.05 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 80 + HB3 PHE 79 OK 100 100 100 100 2.4-2.6 7159=100, 2509/1.8=79...(13) Violated in 0 structures by 0.00 A. Peak 2519 from cnoeabs.peaks (8.88, 3.77, 62.23 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 80 + HA TRP 80 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 15 - HA TRP 80 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2520 from cnoeabs.peaks (3.77, 3.77, 62.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 80 + HA TRP 80 OK 100 100 - 100 Peak 2521 from cnoeabs.peaks (3.24, 3.77, 62.23 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 80 + HA TRP 80 OK 100 100 100 100 2.3-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2522 from cnoeabs.peaks (3.47, 3.77, 62.23 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 80 + HA TRP 80 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 95 - HA TRP 80 far 0 100 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 2524 from cnoeabs.peaks (7.30, 3.77, 62.23 ppm; 4.74 A increased from 4.22 A): 2 out of 7 assignments used, quality = 1.00: * HE3 TRP 80 + HA TRP 80 OK 100 100 100 100 4.6-4.7 4.7=100 QE PHE 79 + HA TRP 80 OK 89 100 90 99 4.1-5.5 2.2/10006=85...(11) QE PHE 104 - HA TRP 80 far 0 99 0 - 6.6-7.5 HE22 GLN 86 - HA TRP 80 far 0 81 0 - 6.8-7.0 QD PHE 99 - HA TRP 80 far 0 100 0 - 7.3-7.7 HE22 GLN 81 - HA TRP 80 far 0 71 0 - 7.9-10.2 H ASN 20 - HA TRP 80 far 0 99 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 2529 from cnoeabs.peaks (8.88, 3.24, 28.94 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 80 + HB2 TRP 80 OK 100 100 100 100 2.6-2.8 3.6=100 H LEU 15 - HB2 TRP 80 far 0 99 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 2530 from cnoeabs.peaks (3.77, 3.24, 28.94 ppm; 5.80 A): 2 out of 4 assignments used, quality = 1.00: * HA TRP 80 + HB2 TRP 80 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 PHE 79 + HB2 TRP 80 OK 92 94 100 98 6.0-6.3 2509/3.6=77, ~10006=65...(7) HB3 TRP 16 - HB2 TRP 80 far 5 100 5 - 6.4-7.7 HA LYS 84 - HB2 TRP 80 far 0 70 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 2531 from cnoeabs.peaks (3.24, 3.24, 28.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 80 + HB2 TRP 80 OK 100 100 - 100 Peak 2532 from cnoeabs.peaks (3.47, 3.24, 28.94 ppm; 5.54 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 80 + HB2 TRP 80 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 95 - HB2 TRP 80 far 0 100 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. Peak 2534 from cnoeabs.peaks (7.30, 3.24, 28.94 ppm; 6.00 A): 2 out of 8 assignments used, quality = 1.00: * HE3 TRP 80 + HB2 TRP 80 OK 100 100 100 100 4.1-4.1 4.2=100 QE PHE 79 + HB2 TRP 80 OK 88 100 90 98 5.0-6.8 ~10006=72, 2524/3.0=42...(9) QE PHE 104 - HB2 TRP 80 lone 18 99 100 18 5.6-6.4 8885/11271=16 QD PHE 99 - HB2 TRP 80 far 0 100 0 - 6.8-7.3 H ASN 20 - HB2 TRP 80 far 0 99 0 - 7.7-8.5 HE22 GLN 81 - HB2 TRP 80 far 0 71 0 - 8.3-10.6 HE22 GLN 86 - HB2 TRP 80 far 0 81 0 - 9.1-9.3 HH2 TRP 42 - HB2 TRP 80 far 0 87 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 2538 from cnoeabs.peaks (3.40, 3.47, 28.94 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 77 + HB3 TRP 80 OK 100 100 100 100 2.9-3.0 2428=100, 2427/1.8=76...(6) HB3 TRP 48 - HB3 TRP 80 far 0 100 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2539 from cnoeabs.peaks (8.88, 3.47, 28.94 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 80 + HB3 TRP 80 OK 100 100 100 100 2.3-2.4 3.6=100 H LEU 15 - HB3 TRP 80 far 0 99 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 2540 from cnoeabs.peaks (3.77, 3.47, 28.94 ppm; 4.92 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 80 + HB3 TRP 80 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PHE 79 - HB3 TRP 80 far 0 94 0 - 6.0-6.4 HB3 TRP 16 - HB3 TRP 80 far 0 100 0 - 8.0-9.3 HA LYS 84 - HB3 TRP 80 far 0 70 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 2541 from cnoeabs.peaks (3.24, 3.47, 28.94 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 80 + HB3 TRP 80 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2542 from cnoeabs.peaks (3.47, 3.47, 28.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 80 + HB3 TRP 80 OK 100 100 - 100 Peak 2544 from cnoeabs.peaks (7.30, 3.47, 28.94 ppm; 5.36 A): 1 out of 9 assignments used, quality = 1.00: * HE3 TRP 80 + HB3 TRP 80 OK 100 100 100 100 2.5-2.6 4.2=100 QE PHE 79 - HB3 TRP 80 far 0 100 0 - 6.2-7.6 HE22 GLN 81 - HB3 TRP 80 far 0 71 0 - 7.0-9.0 QE PHE 104 - HB3 TRP 80 far 0 99 0 - 7.0-7.9 QD PHE 99 - HB3 TRP 80 far 0 100 0 - 7.7-8.1 HH2 TRP 42 - HB3 TRP 80 far 0 87 0 - 7.8-8.7 H ASN 20 - HB3 TRP 80 far 0 99 0 - 7.9-8.6 HE22 GLN 86 - HB3 TRP 80 far 0 81 0 - 9.2-9.5 HZ3 TRP 42 - HB3 TRP 80 far 0 65 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 2548 from cnoeabs.peaks (1.35, 1.35, 26.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 83 + HG LEU 83 OK 100 100 - 100 Peak 2549 from cnoeabs.peaks (0.56, 1.35, 26.27 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 83 + HG LEU 83 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 83 + HG LEU 83 OK 59 59 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2550 from cnoeabs.peaks (0.60, 1.35, 26.27 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 83 + HG LEU 83 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 83 + HG LEU 83 OK 59 59 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2551 from cnoeabs.peaks (1.35, 0.56, 22.31 ppm; 2.59 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 83 + QD2 LEU 83 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 88 + QD2 LEU 83 OK 37 77 50 95 1.9-3.6 3.0/10565=34, 10075=28...(20) HG3 LYS 84 - QD2 LEU 83 far 0 87 0 - 5.7-8.4 HD3 LYS 84 - QD2 LEU 83 far 0 92 0 - 6.1-9.3 QB ALA 93 - QD2 LEU 83 far 0 59 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 2552 from cnoeabs.peaks (0.56, 0.56, 22.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 83 + QD2 LEU 83 OK 100 100 - 100 Peak 2553 from cnoeabs.peaks (0.60, 0.56, 22.31 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: QD2 LEU 83 + QD2 LEU 83 OK 59 59 - 100 Reference assignment not found: QD1 LEU 83 - QD2 LEU 83 Peak 2554 from cnoeabs.peaks (1.35, 0.60, 26.39 ppm; 3.08 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 83 + QD1 LEU 83 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 88 - QD1 LEU 83 far 0 77 0 - 3.9-5.6 HG3 LYS 84 - QD1 LEU 83 far 0 87 0 - 4.8-8.1 HD3 LYS 84 - QD1 LEU 83 far 0 92 0 - 4.8-8.5 QB ALA 93 - QD1 LEU 83 far 0 59 0 - 7.5-8.4 HG LEU 17 - QD1 LEU 83 far 0 73 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 2555 from cnoeabs.peaks (0.56, 0.60, 26.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: QD1 LEU 83 + QD1 LEU 83 OK 59 59 - 100 Reference assignment not found: QD2 LEU 83 - QD1 LEU 83 Peak 2556 from cnoeabs.peaks (0.60, 0.60, 26.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 83 + QD1 LEU 83 OK 100 100 - 100 Peak 2557 from cnoeabs.peaks (2.25, 2.25, 34.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 89 + HG2 GLN 89 OK 100 100 - 100 HG3 GLN 89 + HG3 GLN 89 OK 97 97 - 100 HG2 GLN 96 + HG2 GLN 96 OK 72 72 - 100 HG2 GLN 86 + HG2 GLN 86 OK 28 28 - 100 Peak 2558 from cnoeabs.peaks (2.24, 2.25, 34.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 89 + HG3 GLN 89 OK 99 99 - 100 HG2 GLN 89 + HG2 GLN 89 OK 99 99 - 100 HG2 GLN 96 + HG2 GLN 96 OK 59 59 - 100 Reference assignment not found: HG3 GLN 89 - HG2 GLN 89 Peak 2559 from cnoeabs.peaks (2.25, 2.24, 34.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 89 + HG3 GLN 89 OK 99 99 - 100 HG2 GLN 89 + HG2 GLN 89 OK 99 99 - 100 HG2 GLN 96 + HG2 GLN 96 OK 59 59 - 100 Reference assignment not found: HG2 GLN 89 - HG3 GLN 89 Peak 2560 from cnoeabs.peaks (2.24, 2.24, 34.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 89 + HG3 GLN 89 OK 100 100 - 100 HG2 GLN 89 + HG2 GLN 89 OK 97 97 - 100 HG2 GLN 96 + HG2 GLN 96 OK 47 47 - 100 HG3 GLN 96 + HG3 GLN 96 OK 30 30 - 100 Peak 2561 from cnoeabs.peaks (0.78, 0.78, 16.92 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 ILE 90 + QG2 ILE 90 OK 100 100 - 100 QG2 ILE 28 + QG2 ILE 28 OK 100 100 - 100 QG2 ILE 23 + QG2 ILE 23 OK 73 73 - 100 Peak 2562 from cnoeabs.peaks (2.13, 0.78, 16.92 ppm; 4.00 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 90 + QG2 ILE 90 OK 100 100 100 100 2.0-2.4 3.2=100 HG2 GLU 94 + QG2 ILE 90 OK 98 99 100 100 3.6-3.9 10114=78, 1.8/10117=59...(34) HB3 GLU 94 + QG2 ILE 90 OK 96 96 100 100 3.4-3.7 3.0/10114=52...(25) HG2 GLU 110 - QG2 ILE 23 far 0 62 0 - 8.6-18.8 HB3 GLU 54 - QG2 ILE 23 far 0 86 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 2563 from cnoeabs.peaks (1.95, 0.78, 16.92 ppm; 3.18 A): 3 out of 12 assignments used, quality = 1.00: * HG13 ILE 90 + QG2 ILE 90 OK 99 100 100 99 2.9-3.2 3.2=99 HB2 GLU 94 + QG2 ILE 90 OK 74 84 95 93 3.2-4.1 3.0/10114=32...(27) HB ILE 90 + QG2 ILE 90 OK 71 71 100 100 2.1-2.1 2.1=100 HB3 GLN 89 - QG2 ILE 90 far 0 100 0 - 4.7-5.7 HB2 GLN 27 - QG2 ILE 28 far 0 90 0 - 6.4-6.7 HB2 LYS 31 - QG2 ILE 28 far 0 84 0 - 6.8-7.0 HB3 GLN 27 - QG2 ILE 28 far 0 86 0 - 6.9-7.1 HB2 GLN 72 - QG2 ILE 23 far 0 48 0 - 7.1-7.3 HB VAL 69 - QG2 ILE 23 far 0 78 0 - 7.6-7.8 HB3 LEU 70 - QG2 ILE 23 far 0 87 0 - 8.9-9.1 HB3 GLU 101 - QG2 ILE 23 far 0 86 0 - 9.0-9.5 HG3 PRO 43 - QG2 ILE 23 far 0 65 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 2564 from cnoeabs.peaks (0.66, 0.78, 16.92 ppm; 2.40 A): 3 out of 6 assignments used, quality = 0.97: QD1 ILE 28 + QG2 ILE 28 OK 86 88 100 97 1.7-1.7 3.2=41, 2.1/763=38...(29) * QD1 ILE 90 + QG2 ILE 90 OK 74 100 100 74 2.0-2.9 3.2=42, 2.1/2563=14...(17) QG2 VAL 21 + QG2 ILE 23 OK 26 51 100 50 2.7-2.8 11149=28, 2.1/8141=18...(7) QD2 LEU 12 - QG2 ILE 23 far 0 57 0 - 3.8-4.1 QG2 VAL 21 - QG2 ILE 90 far 0 65 0 - 8.8-9.5 QD1 ILE 90 - QG2 ILE 23 far 0 88 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 2565 from cnoeabs.peaks (0.78, 2.13, 29.27 ppm; 4.48 A): 3 out of 12 assignments used, quality = 1.00: * QG2 ILE 90 + HG12 ILE 90 OK 100 100 100 100 2.0-2.4 3.2=100 QG2 ILE 90 + HB3 GLU 94 OK 95 95 100 100 3.4-3.7 10114/3.0=59...(25) QD1 ILE 67 + HB2 GLU 63 OK 50 50 100 100 4.5-4.9 9750/3.0=67, ~1963=49...(20) QD2 LEU 36 - HB3 GLU 54 far 0 98 0 - 5.5-6.1 HB3 LEU 55 - HB3 GLU 54 far 0 96 0 - 6.1-6.2 HG2 LYS 52 - HB3 GLU 54 far 0 96 0 - 6.3-7.1 QG2 VAL 69 - HB3 GLU 54 far 0 99 0 - 6.6-6.8 QD1 ILE 23 - HB3 GLU 54 far 0 80 0 - 6.9-7.1 QG2 VAL 69 - HB2 GLU 63 far 0 60 0 - 8.5-8.7 HB3 LEU 55 - HB2 GLU 63 far 0 56 0 - 9.0-9.4 QG2 ILE 23 - HB3 GLU 54 far 0 87 0 - 9.4-9.6 QD1 ILE 67 - HB3 GLU 54 far 0 89 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 2566 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG12 ILE 90 + HG12 ILE 90 OK 100 100 - 100 HB3 GLU 54 + HB3 GLU 54 OK 98 98 - 100 HB3 GLU 94 + HB3 GLU 94 OK 88 88 - 100 HB2 GLU 63 + HB2 GLU 63 OK 30 30 - 100 Peak 2567 from cnoeabs.peaks (1.95, 2.13, 29.27 ppm; 2.48 A): 7 out of 14 assignments used, quality = 1.00: * HG13 ILE 90 + HG12 ILE 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 54 + HB3 GLU 54 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 94 + HB3 GLU 94 OK 75 75 100 100 1.8-1.8 1.8=100 HB ILE 90 + HG12 ILE 90 OK 57 71 100 80 2.8-3.0 3.0=56, 4.0/3556=9...(11) HG13 ILE 90 + HB3 GLU 94 OK 57 95 75 80 2.6-4.5 2.1/2568=12, 1627=11...(29) HB3 GLU 63 + HB2 GLU 63 OK 56 56 100 100 1.8-1.8 1.8=100 HB ILE 90 + HB3 GLU 94 OK 50 63 100 80 2.0-3.0 2611/3.0=10, ~10114=10...(31) HB2 GLU 94 - HG12 ILE 90 far 0 84 0 - 4.0-5.1 HB3 GLN 89 - HG12 ILE 90 far 0 100 0 - 6.2-7.4 HB3 GLN 89 - HB3 GLU 94 far 0 95 0 - 8.5-10.6 HB VAL 69 - HB3 GLU 54 far 0 92 0 - 8.7-9.0 HB3 GLN 27 - HB3 GLU 54 far 0 84 0 - 9.4-10.2 HB2 GLN 27 - HB3 GLU 54 far 0 88 0 - 9.8-10.3 HB3 LEU 70 - HB2 GLU 63 far 0 59 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 2568 from cnoeabs.peaks (0.66, 2.13, 29.27 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 90 + HG12 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 90 + HB3 GLU 94 OK 94 95 100 100 1.8-2.1 10115/3.0=59...(25) QG2 VAL 21 - HG12 ILE 90 far 0 65 0 - 8.1-9.3 QG2 VAL 21 - HB3 GLU 94 far 0 57 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2569 from cnoeabs.peaks (0.78, 1.95, 29.27 ppm; 4.20 A): 3 out of 20 assignments used, quality = 1.00: * QG2 ILE 90 + HG13 ILE 90 OK 100 100 100 100 2.9-3.2 3.2=100 QG2 ILE 90 + HB2 GLU 94 OK 81 82 100 100 3.2-4.1 10114/3.0=53...(27) QD2 LEU 36 + HB2 GLU 54 OK 63 99 95 67 4.3-4.9 8247/9192=34...(7) QD1 ILE 67 - HB3 GLU 63 far 13 87 15 - 4.6-5.1 HB3 LEU 55 - HB2 GLU 54 far 0 97 0 - 5.3-5.5 QG2 VAL 69 - HB2 GLU 54 far 0 100 0 - 6.5-6.9 QG2 VAL 69 - HB2 GLN 72 far 0 61 0 - 6.8-6.9 QG2 ILE 23 - HB2 GLN 72 far 0 49 0 - 7.1-7.3 QD1 ILE 23 - HB2 GLN 72 far 0 44 0 - 7.4-7.6 QG2 VAL 69 - HB3 GLU 101 far 0 99 0 - 7.5-7.7 HG2 LYS 52 - HB2 GLU 54 far 0 97 0 - 7.6-8.1 QD1 ILE 23 - HB2 GLU 54 far 0 81 0 - 7.9-8.2 QG2 VAL 69 - HB3 GLU 63 far 0 97 0 - 8.3-8.4 QD1 ILE 11 - HB3 GLU 101 far 0 94 0 - 8.4-9.1 QG2 ILE 23 - HB3 GLU 101 far 0 87 0 - 9.0-9.5 QD1 ILE 11 - HB2 GLN 72 far 0 55 0 - 9.2-9.4 QD1 ILE 23 - HB3 GLU 101 far 0 79 0 - 9.4-9.8 QD1 ILE 11 - HB2 GLU 54 far 0 96 0 - 9.4-11.4 HB3 LEU 55 - HB3 GLU 63 far 0 94 0 - 9.5-9.8 QD1 ILE 67 - HB2 GLU 54 far 0 91 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 2570 from cnoeabs.peaks (2.13, 1.95, 29.27 ppm; 2.40 A): 7 out of 10 assignments used, quality = 1.00: * HG12 ILE 90 + HG13 ILE 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 54 + HB2 GLU 54 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HB2 GLU 94 OK 75 75 100 100 1.8-1.8 1.8=100 HG2 GLU 94 + HB2 GLU 94 OK 68 78 95 92 2.9-3.0 3.0=51, 2610/3.0=25...(17) HB2 GLU 63 + HB3 GLU 63 OK 56 56 100 100 1.8-1.8 1.8=100 HG2 GLU 63 + HB3 GLU 63 OK 53 56 100 93 2.4-2.6 3.0=52, 1.8/1989=25...(20) HB3 GLU 94 + HG13 ILE 90 OK 52 96 70 77 2.6-4.5 1634=12, 3562/2.1=11...(29) HG3 GLU 63 - HB3 GLU 63 poor 18 58 30 - 2.3-3.0 HG12 ILE 90 - HB2 GLU 94 far 0 82 0 - 4.0-5.1 HG2 GLU 94 - HG13 ILE 90 far 0 99 0 - 4.3-5.5 Violated in 0 structures by 0.00 A. Peak 2571 from cnoeabs.peaks (1.95, 1.95, 29.27 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG13 ILE 90 + HG13 ILE 90 OK 100 100 - 100 HB2 GLU 54 + HB2 GLU 54 OK 100 100 - 100 HB3 GLU 101 + HB3 GLU 101 OK 98 98 - 100 HB3 GLU 63 + HB3 GLU 63 OK 94 94 - 100 HB2 GLU 94 + HB2 GLU 94 OK 62 62 - 100 HB2 GLN 72 + HB2 GLN 72 OK 31 31 - 100 Peak 2572 from cnoeabs.peaks (0.66, 1.95, 29.27 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: * QD1 ILE 90 + HG13 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 90 + HB2 GLU 94 OK 82 82 100 100 1.9-3.2 10115/3.0=73...(28) QD2 LEU 12 + HB2 GLN 72 OK 37 37 100 100 2.4-2.6 8075=58, ~8775=46...(22) QD2 LEU 12 + HB3 GLU 101 OK 33 69 100 48 3.8-4.5 8785/2856=18...(7) QG2 VAL 21 - HG13 ILE 90 far 0 65 0 - 8.1-8.9 QG2 VAL 21 - HB2 GLN 72 far 0 33 0 - 9.0-9.2 QD1 ILE 28 - HB3 GLU 101 far 0 87 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 2573 from cnoeabs.peaks (0.78, 0.66, 13.00 ppm; 2.54 A): 3 out of 8 assignments used, quality = 0.97: * QG2 ILE 90 + QD1 ILE 90 OK 81 100 100 81 2.0-2.9 3.2=50, 3554/2.1=16...(18) QG2 ILE 28 + QD1 ILE 28 OK 63 64 100 98 1.7-1.7 3.2=49, 763/2.1=43...(29) QD1 ILE 11 + QD1 ILE 28 OK 52 58 95 94 1.9-3.3 2.1/8763=33, 2.1/8764=33...(16) QD2 LEU 109 - QD1 ILE 28 far 0 46 0 - 6.4-18.7 QG1 VAL 29 - QD1 ILE 28 far 0 44 0 - 6.4-6.5 QD2 LEU 36 - QD1 ILE 28 far 0 62 0 - 7.3-7.4 QG2 VAL 69 - QD1 ILE 28 far 0 64 0 - 8.0-8.2 QG2 ILE 23 - QD1 ILE 90 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 2574 from cnoeabs.peaks (2.13, 0.66, 13.00 ppm; 3.97 A): 3 out of 3 assignments used, quality = 1.00: * HG12 ILE 90 + QD1 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 94 + QD1 ILE 90 OK 98 99 100 100 2.9-3.8 10115=98, 1.8/10118=64...(33) HB3 GLU 94 + QD1 ILE 90 OK 96 96 100 100 1.8-2.1 3.0/10115=60...(25) Violated in 0 structures by 0.00 A. Peak 2575 from cnoeabs.peaks (1.95, 0.66, 13.00 ppm; 3.72 A): 3 out of 9 assignments used, quality = 1.00: * HG13 ILE 90 + QD1 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 94 + QD1 ILE 90 OK 83 84 100 99 1.9-3.2 3.0/10115=53...(28) HB ILE 90 + QD1 ILE 90 OK 71 71 100 100 2.0-2.4 3.2=100 HB3 GLN 89 - QD1 ILE 90 far 0 100 0 - 7.0-7.6 HB2 GLN 27 - QD1 ILE 28 far 0 53 0 - 7.1-7.3 HB3 GLN 27 - QD1 ILE 28 far 0 49 0 - 7.5-7.6 HB2 LYS 31 - QD1 ILE 28 far 0 48 0 - 8.5-8.8 HB VAL 69 - QD1 ILE 28 far 0 56 0 - 8.6-8.9 HB3 GLU 101 - QD1 ILE 28 far 0 63 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 2576 from cnoeabs.peaks (0.66, 0.66, 13.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 90 + QD1 ILE 90 OK 100 100 - 100 QD1 ILE 28 + QD1 ILE 28 OK 52 52 - 100 Peak 2577 from cnoeabs.peaks (8.27, 4.01, 54.67 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 93 + HA ALA 93 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2578 from cnoeabs.peaks (4.01, 4.01, 54.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 93 + HA ALA 93 OK 100 100 - 100 HA ALA 64 + HA ALA 64 OK 44 44 - 100 Peak 2579 from cnoeabs.peaks (1.31, 4.01, 54.67 ppm; 2.73 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 93 + HA ALA 93 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 66 - HA ALA 64 far 0 43 0 - 5.1-6.3 HB3 LYS 98 - HA ALA 93 far 0 100 0 - 8.4-9.3 HB ILE 61 - HA ALA 64 far 0 25 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 2580 from cnoeabs.peaks (7.65, 4.01, 54.67 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 94 + HA ALA 93 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 69 - HA ALA 64 far 0 27 0 - 5.7-5.8 HE22 GLN 96 - HA ALA 93 far 0 100 0 - 5.8-6.7 HE3 TRP 16 - HA ALA 93 far 0 70 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 2581 from cnoeabs.peaks (7.97, 4.01, 54.67 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 96 + HA ALA 93 OK 100 100 100 100 3.4-3.8 7200=100, 7208/2583=74...(6) HD22 ASN 68 - HA ALA 64 far 0 39 0 - 6.0-6.1 Violated in 0 structures by 0.00 A. Peak 2582 from cnoeabs.peaks (1.72, 4.01, 54.67 ppm; 4.48 A increased from 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 96 + HA ALA 93 OK 100 100 100 100 3.4-4.3 1.8/2583=93, 2640=68...(8) HB3 ARG 66 - HA ALA 64 far 0 51 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 2583 from cnoeabs.peaks (1.87, 4.01, 54.67 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.97: * HB3 GLN 96 + HA ALA 93 OK 97 100 100 97 2.1-2.8 2650=59, 1.8/2582=54...(7) HG3 GLU 56 - HA ALA 64 far 0 41 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 2584 from cnoeabs.peaks (8.27, 1.31, 17.65 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 93 + QB ALA 93 OK 100 100 100 100 2.1-2.2 2.9=100 Violated in 0 structures by 0.00 A. Peak 2585 from cnoeabs.peaks (4.01, 1.31, 17.65 ppm; 2.57 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 93 + QB ALA 93 OK 100 100 100 100 2.1-2.1 2.1=100 HA2 GLY 106 - QB ALA 93 far 0 100 0 - 6.7-9.2 Violated in 0 structures by 0.00 A. Peak 2586 from cnoeabs.peaks (1.31, 1.31, 17.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 93 + QB ALA 93 OK 100 100 - 100 Peak 2587 from cnoeabs.peaks (7.65, 1.31, 17.65 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 94 + QB ALA 93 OK 100 100 100 100 2.1-2.6 7179=100, 3.0/10095=42...(8) HE22 GLN 96 - QB ALA 93 far 0 100 0 - 6.9-7.6 HE3 TRP 16 - QB ALA 93 far 0 70 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 2588 from cnoeabs.peaks (7.65, 3.87, 58.54 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 94 + HA GLU 94 OK 100 100 100 100 2.8-2.8 3.0=100 HE22 GLN 96 - HA GLU 94 far 0 100 0 - 8.1-9.5 HE3 TRP 16 - HA GLU 94 far 0 70 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 2589 from cnoeabs.peaks (3.87, 3.87, 58.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 94 + HA GLU 94 OK 100 100 - 100 Peak 2590 from cnoeabs.peaks (1.98, 3.87, 58.54 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 94 + HA GLU 94 OK 100 100 100 100 2.4-2.6 3.0=100 HB ILE 90 - HA GLU 94 far 0 100 0 - 4.7-5.5 HG13 ILE 90 - HA GLU 94 far 0 84 0 - 5.5-7.5 Violated in 0 structures by 0.00 A. Peak 2591 from cnoeabs.peaks (2.15, 3.87, 58.54 ppm; 3.14 A increased from 2.96 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 94 + HA GLU 94 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 94 + HA GLU 94 OK 100 100 100 100 3.2-3.3 2610=87, 1.8/2617=68...(27) HG12 ILE 90 - HA GLU 94 far 0 96 0 - 6.5-7.4 Violated in 0 structures by 0.00 A. Peak 2592 from cnoeabs.peaks (2.15, 3.87, 58.54 ppm; 3.14 A increased from 2.96 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLU 94 + HA GLU 94 OK 100 100 100 100 3.0-3.0 3.0=100 * HG2 GLU 94 + HA GLU 94 OK 100 100 100 100 3.2-3.3 2610=87, 1.8/2617=68...(27) HG12 ILE 90 - HA GLU 94 far 0 99 0 - 6.5-7.4 Violated in 0 structures by 0.00 A. Peak 2593 from cnoeabs.peaks (2.25, 3.87, 58.54 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 94 + HA GLU 94 OK 100 100 100 100 2.2-2.6 2617=100, 1.8/2610=77...(23) HG2 GLN 96 - HA GLU 94 far 0 98 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 2594 from cnoeabs.peaks (7.54, 3.87, 58.54 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 95 + HA GLU 94 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (7.65, 1.98, 29.16 ppm; 3.48 A increased from 3.27 A): 2 out of 12 assignments used, quality = 1.00: * H GLU 94 + HB2 GLU 94 OK 99 100 100 99 3.5-3.6 3.9=72, 2609/3.0=53...(11) H GLU 54 + HB2 GLU 54 OK 80 81 100 100 3.3-3.4 6686/1.8=85, 6685=80...(16) H GLU 94 - HG13 ILE 90 far 0 82 0 - 4.3-5.9 HE3 TRP 16 - HG13 ILE 90 far 0 50 0 - 6.5-7.3 H VAL 69 - HB2 GLN 72 far 0 57 0 - 7.1-7.3 H VAL 69 - HB3 GLU 101 far 0 34 0 - 7.3-7.4 H LYS 84 - HG13 ILE 90 far 0 77 0 - 8.4-10.0 HE3 TRP 16 - HB2 GLU 94 far 0 70 0 - 8.8-10.0 H VAL 69 - HB3 GLU 63 far 0 29 0 - 9.3-9.3 HE22 GLN 96 - HB2 GLU 94 far 0 100 0 - 9.4-11.2 HE22 GLN 96 - HB3 GLU 101 far 0 64 0 - 9.5-10.8 HE22 GLN 96 - HB2 GLN 72 far 0 96 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (3.87, 1.98, 29.16 ppm; 3.40 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 94 + HB2 GLU 94 OK 100 100 100 100 2.4-2.6 3.0=100 HA VAL 69 - HB2 GLN 72 far 0 93 0 - 4.7-4.9 HA VAL 69 - HB3 GLU 101 far 0 61 0 - 5.2-5.5 HA GLU 94 - HG13 ILE 90 far 0 82 0 - 5.5-7.5 HA ILE 61 - HB3 GLU 63 far 0 42 0 - 8.6-8.9 HA ILE 61 - HB2 GLU 54 far 0 65 0 - 9.2-9.9 HA GLN 81 - HG13 ILE 90 far 0 77 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2597 from cnoeabs.peaks (1.98, 1.98, 29.16 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 GLU 94 + HB2 GLU 94 OK 100 100 - 100 HB2 GLN 72 + HB2 GLN 72 OK 93 93 - 100 HB2 GLU 54 + HB2 GLU 54 OK 67 67 - 100 HG13 ILE 90 + HG13 ILE 90 OK 62 62 - 100 HB3 GLU 101 + HB3 GLU 101 OK 39 39 - 100 HB3 GLU 63 + HB3 GLU 63 OK 29 29 - 100 Peak 2598 from cnoeabs.peaks (2.15, 1.98, 29.16 ppm; 2.47 A): 7 out of 11 assignments used, quality = 1.00: * HB3 GLU 94 + HB2 GLU 94 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 94 + HB2 GLU 94 OK 94 100 100 94 2.9-3.0 3.0=56, 1.8/2618=28...(17) HB3 GLU 54 + HB2 GLU 54 OK 82 82 100 100 1.8-1.8 1.8=100 HG12 ILE 90 + HG13 ILE 90 OK 75 75 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HG13 ILE 90 OK 49 82 75 79 2.6-4.5 3562/2.1=11, 1634=11...(29) HG2 GLU 63 + HB3 GLU 63 OK 41 44 100 94 2.4-2.6 3.0=56, 1988/1.8=26...(19) HG3 GLU 63 + HB3 GLU 63 OK 41 45 100 92 2.3-3.0 3.0=56, 1988/1.8=26...(16) HG12 ILE 90 - HB2 GLU 94 far 0 96 0 - 4.0-5.1 HG2 GLU 94 - HG13 ILE 90 far 0 81 0 - 4.3-5.5 HB VAL 102 - HB2 GLN 72 far 0 54 0 - 4.7-5.1 HB VAL 102 - HB3 GLU 101 far 0 31 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 2599 from cnoeabs.peaks (2.15, 1.98, 29.16 ppm; 2.47 A): 7 out of 9 assignments used, quality = 1.00: HB3 GLU 94 + HB2 GLU 94 OK 100 100 100 100 1.8-1.8 1.8=100 * HG2 GLU 94 + HB2 GLU 94 OK 94 100 100 94 2.9-3.0 3.0=56, 1.8/2618=28...(17) HB3 GLU 54 + HB2 GLU 54 OK 83 83 100 100 1.8-1.8 1.8=100 HG12 ILE 90 + HG13 ILE 90 OK 78 78 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HG13 ILE 90 OK 48 81 75 80 2.6-4.5 3562/2.1=11, 1634=11...(29) HG3 GLU 63 + HB3 GLU 63 OK 37 41 100 92 2.3-3.0 3.0=56, 1988/1.8=24...(16) HG2 GLU 63 + HB3 GLU 63 OK 37 40 100 94 2.4-2.6 3.0=56, 1988/1.8=25...(19) HG12 ILE 90 - HB2 GLU 94 far 0 99 0 - 4.0-5.1 HG2 GLU 94 - HG13 ILE 90 far 0 82 0 - 4.3-5.5 Violated in 0 structures by 0.00 A. Peak 2600 from cnoeabs.peaks (2.25, 1.98, 29.16 ppm; 2.51 A): 5 out of 20 assignments used, quality = 1.00: * HG3 GLU 94 + HB2 GLU 94 OK 94 100 100 94 2.5-2.7 3.0=58, 2619/1.8=30...(21) HB3 GLN 72 + HB2 GLN 72 OK 79 79 100 100 1.8-1.8 1.8=100 HG3 GLU 54 + HB2 GLU 54 OK 78 81 100 97 2.9-3.0 3.0=59, 1649/1.8=53...(17) HG2 GLU 101 + HB3 GLU 101 OK 40 44 100 92 3.0-3.0 3.0=58, 2858/3.0=25...(13) HG3 GLU 101 + HB3 GLU 101 OK 40 43 100 94 2.3-2.3 3.0=58, 2859/1.8=22...(17) HB3 GLN 72 - HB3 GLU 101 poor 11 49 100 22 2.0-2.1 10491/4.0=10, 4.5/9483=4...(6) HG3 GLU 101 - HB2 GLN 72 far 0 70 0 - 3.9-4.4 HB2 GLU 75 - HB2 GLN 72 far 0 89 0 - 4.5-4.8 HG2 GLU 101 - HB2 GLN 72 far 0 72 0 - 5.2-5.7 HG3 GLU 94 - HG13 ILE 90 far 0 82 0 - 5.4-6.7 HG3 GLN 89 - HG13 ILE 90 far 0 73 0 - 5.9-8.9 HG2 GLN 89 - HG13 ILE 90 far 0 80 0 - 6.1-8.8 HB3 GLU 75 - HB2 GLN 72 far 0 88 0 - 6.2-6.4 HB2 GLU 75 - HB3 GLU 101 far 0 57 0 - 6.3-6.5 HB3 GLU 75 - HB3 GLU 101 far 0 56 0 - 7.6-7.8 HG2 GLN 96 - HB2 GLU 94 far 0 98 0 - 7.9-9.0 HG2 GLN 96 - HG13 ILE 90 far 0 77 0 - 7.9-10.8 HG3 GLN 89 - HB2 GLU 94 far 0 95 0 - 8.8-12.1 HB2 GLN 86 - HG13 ILE 90 far 0 77 0 - 8.9-11.0 HG2 GLN 89 - HB2 GLU 94 far 0 100 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2601 from cnoeabs.peaks (7.54, 1.98, 29.16 ppm; 4.13 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 95 + HB2 GLU 94 OK 100 100 100 100 3.1-3.9 4.2=94, 2608/1.8=76...(8) H ALA 95 + HG13 ILE 90 OK 71 82 90 96 3.3-5.7 11184/2.1=52, ~8522=40...(8) H GLU 75 - HB2 GLN 72 far 0 96 0 - 5.2-5.4 H LEU 83 - HG13 ILE 90 far 0 77 0 - 6.9-8.5 H GLU 75 - HB3 GLU 101 far 0 64 0 - 7.3-7.6 H GLN 86 - HG13 ILE 90 far 0 66 0 - 9.5-11.4 HD21 ASN 78 - HB2 GLN 72 far 0 76 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2602 from cnoeabs.peaks (7.65, 2.15, 29.16 ppm; 3.05 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 94 + HB3 GLU 94 OK 97 100 100 97 2.3-2.7 7182=49, 2609/3.0=41...(14) H GLU 54 + HB3 GLU 54 OK 94 94 100 100 2.1-2.1 6686=99, 6685/1.8=53...(16) H GLU 94 - HG12 ILE 90 far 0 95 0 - 5.9-6.5 HE3 TRP 16 - HG12 ILE 90 far 0 61 0 - 6.5-8.2 HE3 TRP 16 - HB3 GLU 94 far 0 70 0 - 7.7-8.7 H LYS 84 - HG12 ILE 90 far 0 91 0 - 7.9-8.6 HE22 GLN 96 - HB3 GLU 94 far 0 100 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 2603 from cnoeabs.peaks (3.87, 2.15, 29.16 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 94 + HB3 GLU 94 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 94 - HG12 ILE 90 far 0 95 0 - 6.5-7.4 HA GLN 81 - HG12 ILE 90 far 0 91 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 2604 from cnoeabs.peaks (1.98, 2.15, 29.16 ppm; 2.60 A): 6 out of 12 assignments used, quality = 1.00: * HB2 GLU 94 + HB3 GLU 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 90 + HB3 GLU 94 OK 85 100 100 85 2.0-3.0 2611/3.0=17, ~10114=11...(31) HB2 GLU 54 + HB3 GLU 54 OK 82 82 100 100 1.8-1.8 1.8=100 HB ILE 90 + HG12 ILE 90 OK 80 93 100 85 2.8-3.0 3.0=65, ~3554=9, ~2563=9...(11) HG13 ILE 90 + HG12 ILE 90 OK 75 75 100 100 1.8-1.8 1.8=100 HG13 ILE 90 + HB3 GLU 94 OK 52 84 75 83 2.6-4.5 ~10115=12, 2.1/2568=12...(29) HB2 GLU 94 - HG12 ILE 90 far 0 95 0 - 4.0-5.1 HB3 GLN 89 - HG12 ILE 90 far 0 75 0 - 6.2-7.4 HB3 GLN 89 - HB3 GLU 94 far 0 84 0 - 8.5-10.6 HB VAL 69 - HB3 GLU 54 far 0 95 0 - 8.7-9.0 HB3 GLN 27 - HB3 GLU 54 far 0 96 0 - 9.4-10.2 HB2 GLN 27 - HB3 GLU 54 far 0 96 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 2605 from cnoeabs.peaks (2.15, 2.15, 29.16 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 94 + HB3 GLU 94 OK 100 100 - 100 HB3 GLU 54 + HB3 GLU 54 OK 95 95 - 100 HG12 ILE 90 + HG12 ILE 90 OK 88 88 - 100 Peak 2606 from cnoeabs.peaks (2.15, 2.15, 29.16 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 94 + HB3 GLU 94 OK 100 100 - 100 HB3 GLU 54 + HB3 GLU 54 OK 96 96 - 100 HG12 ILE 90 + HG12 ILE 90 OK 91 91 - 100 Reference assignment not found: HG2 GLU 94 - HB3 GLU 94 Peak 2607 from cnoeabs.peaks (2.25, 2.15, 29.16 ppm; 2.75 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLU 94 + HB3 GLU 94 OK 98 100 100 98 2.9-3.0 3.0=77, 2617/3.0=37...(24) HG3 GLU 54 + HB3 GLU 54 OK 95 95 100 100 2.6-2.7 1649=94, 1.8/1642=61...(23) HG3 GLN 89 - HG12 ILE 90 far 0 87 0 - 6.0-8.0 HG2 GLN 89 - HG12 ILE 90 far 0 93 0 - 6.2-8.1 HG3 GLU 94 - HG12 ILE 90 far 0 95 0 - 6.2-6.6 HG2 GLN 96 - HB3 GLU 94 far 0 98 0 - 7.2-8.4 HB2 GLN 86 - HG12 ILE 90 far 0 91 0 - 7.9-9.5 HG3 GLN 89 - HB3 GLU 94 far 0 95 0 - 8.0-11.3 HG2 GLN 89 - HB3 GLU 94 far 0 100 0 - 8.3-11.5 HG2 GLN 96 - HG12 ILE 90 far 0 91 0 - 9.3-11.8 HB3 GLN 49 - HB3 GLU 54 far 0 96 0 - 9.5-9.8 HG2 GLN 86 - HG12 ILE 90 far 0 65 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 2608 from cnoeabs.peaks (7.54, 2.15, 29.16 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 95 + HB3 GLU 94 OK 100 100 100 100 2.4-2.8 4.2=94, 7185/3.9=60...(11) H ALA 95 - HG12 ILE 90 far 5 95 5 - 4.6-5.9 H LEU 83 - HG12 ILE 90 far 0 90 0 - 6.2-6.9 H GLN 49 - HB3 GLU 54 far 0 65 0 - 8.6-9.0 H GLN 86 - HG12 ILE 90 far 0 79 0 - 8.6-9.6 H LEU 83 - HB3 GLU 94 far 0 98 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (7.65, 2.15, 36.98 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 94 + HG2 GLU 94 OK 100 100 100 100 2.0-2.8 7184/1.8=71, 3.0/2610=58...(12) HE3 TRP 16 - HG2 GLU 94 far 0 70 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 2610 from cnoeabs.peaks (3.87, 2.15, 36.98 ppm; 3.29 A increased from 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 94 + HG2 GLU 94 OK 100 100 100 100 3.2-3.3 2617/1.8=74, 3.7=72...(27) Violated in 1 structures by 0.00 A. Peak 2611 from cnoeabs.peaks (1.98, 2.15, 36.98 ppm; 3.01 A increased from 2.84 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 94 + HG2 GLU 94 OK 100 100 100 100 2.9-3.0 3.0=100 HB ILE 90 + HG2 GLU 94 OK 95 100 100 96 2.6-3.0 2.1/10114=34...(44) HG13 ILE 90 - HG2 GLU 94 far 0 84 0 - 4.3-5.5 HB3 GLN 89 - HG2 GLU 94 far 0 84 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 2612 from cnoeabs.peaks (2.15, 2.15, 36.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 94 + HG2 GLU 94 OK 100 100 - 100 Reference assignment not found: HB3 GLU 94 - HG2 GLU 94 Peak 2613 from cnoeabs.peaks (2.15, 2.15, 36.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 94 + HG2 GLU 94 OK 100 100 - 100 Peak 2614 from cnoeabs.peaks (2.25, 2.15, 36.98 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 94 + HG2 GLU 94 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 89 - HG2 GLU 94 far 0 95 0 - 7.4-11.7 HG2 GLN 89 - HG2 GLU 94 far 0 100 0 - 7.6-11.5 HG2 GLN 96 - HG2 GLU 94 far 0 98 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 2615 from cnoeabs.peaks (7.54, 2.15, 36.98 ppm; 4.63 A increased from 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 95 + HG2 GLU 94 OK 100 100 100 100 4.1-4.5 7185/2609=79...(11) Violated in 0 structures by 0.00 A. Peak 2616 from cnoeabs.peaks (7.65, 2.25, 36.98 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 94 + HG3 GLU 94 OK 100 100 100 100 3.0-3.4 7184=100, 2609/1.8=76...(11) H VAL 69 - HG3 GLU 101 far 0 25 0 - 9.2-9.4 H VAL 69 - HG2 GLU 101 far 0 26 0 - 9.3-9.6 HE22 GLN 96 - HG3 GLU 101 far 0 49 0 - 9.5-11.3 HE22 GLN 96 - HG2 GLU 101 far 0 50 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 2617 from cnoeabs.peaks (3.87, 2.25, 36.98 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 94 + HG3 GLU 94 OK 100 100 100 100 2.2-2.6 2593=77, 2610/1.8=66...(23) HA VAL 69 - HG3 GLU 101 far 0 47 0 - 7.4-7.7 HA VAL 69 - HG2 GLU 101 far 0 48 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 2618 from cnoeabs.peaks (1.98, 2.25, 36.98 ppm; 2.89 A): 3 out of 16 assignments used, quality = 1.00: * HB2 GLU 94 + HG3 GLU 94 OK 99 100 100 99 2.5-2.7 3.0=89, 3.0/2617=41...(23) HB3 GLU 101 + HG2 GLU 101 OK 29 30 100 99 3.0-3.0 3.0=89, 3.0/2840=34...(14) HB3 GLU 101 + HG3 GLU 101 OK 29 29 100 99 2.3-2.3 3.0=89, 1.8/2847=27...(18) HG2 PRO 100 - HG3 GLU 101 poor 9 42 100 22 2.9-3.0 7258/4.9=19, 7273/7274=2 HG2 PRO 100 - HG2 GLU 101 poor 9 44 100 21 2.3-2.5 7258/4.9=19, 7273/7274=2 HB3 PRO 100 - HG2 GLU 101 far 5 46 10 - 3.4-3.6 HB ILE 90 - HG3 GLU 94 far 0 100 0 - 3.8-4.1 HB2 GLN 72 - HG3 GLU 101 far 0 46 0 - 3.9-4.4 HG3 PRO 100 - HG2 GLU 101 far 0 44 0 - 4.1-4.2 HG3 PRO 100 - HG3 GLU 101 far 0 42 0 - 4.5-4.6 HB3 PRO 100 - HG3 GLU 101 far 0 44 0 - 4.6-4.7 HB2 GLN 72 - HG2 GLU 101 far 0 47 0 - 5.2-5.7 HG13 ILE 90 - HG3 GLU 94 far 0 84 0 - 5.4-6.7 HB VAL 69 - HG3 GLU 101 far 0 48 0 - 9.5-10.0 HB VAL 69 - HG2 GLU 101 far 0 49 0 - 9.9-10.4 HB3 GLN 89 - HG3 GLU 94 far 0 84 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2619 from cnoeabs.peaks (2.15, 2.25, 36.98 ppm; 2.40 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLU 94 + HG3 GLU 94 OK 100 100 100 100 1.8-1.8 1.8=100 * HB3 GLU 94 + HG3 GLU 94 OK 87 100 95 92 2.9-3.0 3.0=51, 3.0/2617=27...(24) HB VAL 102 - HG3 GLU 101 far 0 23 0 - 5.8-6.2 HG12 ILE 90 - HG3 GLU 94 far 0 96 0 - 6.2-6.6 HB VAL 102 - HG2 GLU 101 far 0 24 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 2620 from cnoeabs.peaks (2.15, 2.25, 36.98 ppm; 2.40 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 94 + HG3 GLU 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HG3 GLU 94 OK 87 100 95 92 2.9-3.0 3.0=51, 3.0/2617=27...(24) HG12 ILE 90 - HG3 GLU 94 far 0 99 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 2621 from cnoeabs.peaks (2.25, 2.25, 36.98 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 94 + HG3 GLU 94 OK 100 100 - 100 HG2 GLU 101 + HG2 GLU 101 OK 34 34 - 100 HG3 GLU 101 + HG3 GLU 101 OK 32 32 - 100 Peak 2622 from cnoeabs.peaks (7.54, 2.25, 36.98 ppm; 5.08 A increased from 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 95 + HG3 GLU 94 OK 100 100 100 100 4.8-4.9 2615/1.8=89, 3.6/2617=89...(9) H GLU 75 - HG3 GLU 101 far 0 49 0 - 7.8-8.1 H GLU 75 - HG2 GLU 101 far 0 50 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 2623 from cnoeabs.peaks (7.54, 3.47, 55.19 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 95 + HA ALA 95 OK 100 100 100 100 2.8-2.8 2.9=100 H LEU 83 - HA ALA 95 far 0 98 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 2624 from cnoeabs.peaks (3.47, 3.47, 55.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 95 + HA ALA 95 OK 100 100 - 100 Peak 2625 from cnoeabs.peaks (-0.02, 3.47, 55.19 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 95 + HA ALA 95 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2626 from cnoeabs.peaks (7.97, 3.47, 55.19 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 96 + HA ALA 95 OK 100 100 100 100 3.5-3.5 3.6=100 H VAL 76 - HA ALA 95 far 0 84 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 2627 from cnoeabs.peaks (7.54, -0.02, 15.59 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 95 + QB ALA 95 OK 100 100 100 100 2.1-2.2 2.9=100 H LEU 83 - QB ALA 95 far 0 98 0 - 7.3-8.4 H GLU 75 - QB ALA 95 far 0 100 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 2628 from cnoeabs.peaks (3.47, -0.02, 15.59 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 95 + QB ALA 95 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 TRP 80 - QB ALA 95 far 0 100 0 - 6.3-7.4 Violated in 0 structures by 0.00 A. Peak 2629 from cnoeabs.peaks (-0.02, -0.02, 15.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 95 + QB ALA 95 OK 100 100 - 100 Peak 2630 from cnoeabs.peaks (7.97, -0.02, 15.59 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 96 + QB ALA 95 OK 100 100 100 100 2.5-2.8 3.7=100 H VAL 76 - QB ALA 95 far 0 84 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (7.97, 3.70, 57.28 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 96 + HA GLN 96 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (3.70, 3.70, 57.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 96 + HA GLN 96 OK 100 100 - 100 HA LEU 55 + HA LEU 55 OK 84 84 - 100 Peak 2633 from cnoeabs.peaks (1.72, 3.70, 57.28 ppm; 3.99 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 96 + HA GLN 96 OK 100 100 100 100 2.6-2.9 3.0=100 HG LEU 55 + HA LEU 55 OK 77 77 100 100 3.4-3.6 2.1/1696=90, 4.3=82...(20) HB3 ARG 66 - HA LEU 55 far 0 86 0 - 5.4-7.0 HB3 LEU 36 - HA LEU 55 far 0 73 0 - 5.9-6.1 HB VAL 25 - HA LEU 55 far 0 81 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 2634 from cnoeabs.peaks (1.87, 3.70, 57.28 ppm; 5.30 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLN 96 + HA GLN 96 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLU 56 + HA LEU 55 OK 47 48 100 98 5.7-5.8 3.0/9527=75...(7) HG3 GLU 56 + HA LEU 55 OK 32 73 45 98 5.5-6.4 1733/3.6=77, 4.0/9527=63...(7) HB VAL 103 - HA GLN 96 far 0 100 0 - 7.1-8.5 HB VAL 76 - HA GLN 96 far 0 82 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (2.27, 3.70, 57.28 ppm; 4.86 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 96 + HA GLN 96 OK 100 100 100 100 2.1-2.5 4.2=100 HG3 GLU 54 - HA LEU 55 far 0 88 0 - 6.1-6.4 HG3 GLU 94 - HA GLN 96 far 0 98 0 - 8.7-8.9 HG3 GLU 101 - HA GLN 96 far 0 94 0 - 8.9-9.9 HG2 GLU 101 - HA GLN 96 far 0 95 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 2639 from cnoeabs.peaks (7.43, 3.70, 57.28 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: * H GLY 97 + HA GLN 96 OK 100 100 100 100 3.5-3.6 3.6=100 HZ2 TRP 60 + HA LEU 55 OK 44 52 90 94 5.8-6.2 9146/9162=64...(6) HZ3 TRP 16 - HA GLN 96 far 0 96 0 - 7.2-8.5 H VAL 25 - HA LEU 55 far 0 73 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 2640 from cnoeabs.peaks (4.01, 1.72, 28.40 ppm; 5.09 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 93 + HB2 GLN 96 OK 100 100 100 100 3.4-4.3 2582=100, 2583/1.8=99...(8) HA2 GLY 106 - HB2 GLN 96 far 0 100 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 2641 from cnoeabs.peaks (7.97, 1.72, 28.40 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 96 + HB2 GLN 96 OK 100 100 100 100 3.3-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2642 from cnoeabs.peaks (3.70, 1.72, 28.40 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 96 + HB2 GLN 96 OK 100 100 100 100 2.6-2.9 3.0=100 HA2 GLY 97 + HB2 GLN 96 OK 60 77 100 78 3.8-4.2 2652/1.8=31, ~7232=30...(5) Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (1.72, 1.72, 28.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 96 + HB2 GLN 96 OK 100 100 - 100 Peak 2644 from cnoeabs.peaks (1.87, 1.72, 28.40 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 96 + HB2 GLN 96 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 103 - HB2 GLN 96 far 0 100 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 2645 from cnoeabs.peaks (2.27, 1.72, 28.40 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 96 + HB2 GLN 96 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 GLU 94 - HB2 GLN 96 far 0 98 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 2646 from cnoeabs.peaks (2.20, 1.72, 28.40 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 96 + HB2 GLN 96 OK 100 100 100 100 2.4-2.8 3.0=100 HB VAL 102 - HB2 GLN 96 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (4.01, 1.87, 28.40 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 93 + HB3 GLN 96 OK 100 100 100 100 2.1-2.8 2583=100, 2582/1.8=78...(7) HA GLU 54 - HB2 GLU 56 far 0 24 0 - 5.5-5.7 HA2 GLY 106 - HB3 GLN 96 far 0 100 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 2651 from cnoeabs.peaks (7.97, 1.87, 28.40 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 96 + HB3 GLN 96 OK 100 100 100 100 2.1-2.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 2652 from cnoeabs.peaks (3.70, 1.87, 28.40 ppm; 4.91 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 96 + HB3 GLN 96 OK 100 100 100 100 2.8-3.0 3.0=100 HA2 GLY 97 + HB3 GLN 96 OK 56 77 100 73 4.6-5.3 2642/1.8=27, ~7232=26...(5) HA LEU 55 - HB2 GLU 56 far 0 33 0 - 5.7-5.8 HA GLN 50 - HB2 GLU 56 far 0 36 0 - 7.8-8.1 HA GLU 63 - HB2 GLU 56 far 0 28 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 2653 from cnoeabs.peaks (1.72, 1.87, 28.40 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 96 + HB3 GLN 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 55 - HB2 GLU 56 far 0 29 0 - 5.9-6.5 HB3 ARG 66 - HB2 GLU 56 far 0 34 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 2654 from cnoeabs.peaks (1.87, 1.87, 28.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 96 + HB3 GLN 96 OK 100 100 - 100 Peak 2655 from cnoeabs.peaks (2.27, 1.87, 28.40 ppm; 4.08 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 96 + HB3 GLN 96 OK 100 100 100 100 2.5-2.8 3.0=100 HG3 GLU 94 - HB3 GLN 96 far 0 98 0 - 6.7-7.2 HG3 GLU 54 - HB2 GLU 56 far 0 36 0 - 7.5-7.6 HB3 GLN 49 - HB2 GLU 56 far 0 32 0 - 9.1-10.1 HG2 GLN 49 - HB2 GLU 56 far 0 20 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 2656 from cnoeabs.peaks (2.20, 1.87, 28.40 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 96 + HB3 GLN 96 OK 100 100 100 100 2.2-2.4 3.0=100 HB VAL 102 - HB3 GLN 96 far 0 99 0 - 7.9-8.3 HG3 GLU 63 - HB2 GLU 56 far 0 24 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (7.97, 2.27, 34.24 ppm; 4.41 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 96 + HG2 GLN 96 OK 100 100 100 100 2.7-3.7 7209=100, 7210/1.8=84...(8) HD22 ASN 85 - HG2 GLN 86 poor 20 86 35 66 4.5-5.8 10013/1.8=36, ~10012=21...(5) H VAL 76 - HG2 GLN 72 far 0 52 0 - 6.0-6.1 HD22 ASN 68 - HG2 GLN 72 far 0 53 0 - 6.3-6.5 HD22 ASN 85 - HG2 GLN 89 far 0 82 0 - 9.3-15.2 HD22 ASN 85 - HG3 GLN 89 far 0 68 0 - 9.5-15.1 Violated in 0 structures by 0.00 A. Peak 2661 from cnoeabs.peaks (3.70, 2.27, 34.24 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 96 + HG2 GLN 96 OK 100 100 100 100 2.1-2.5 4.2=100 HA LEU 83 + HG2 GLN 86 OK 25 85 30 99 4.9-5.3 10025/3.0=58...(11) HA LEU 83 - HG3 GLN 89 far 0 66 0 - 5.4-9.5 HA LEU 83 - HG2 GLN 89 far 0 81 0 - 5.5-9.6 HA2 GLY 97 - HG2 GLN 96 far 0 77 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 2662 from cnoeabs.peaks (1.72, 2.27, 34.24 ppm; 4.27 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 96 + HG2 GLN 96 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LYS 88 - HG3 GLN 89 poor 16 40 40 - 4.3-7.9 HB3 LYS 88 - HG2 GLN 89 far 5 51 10 - 4.3-8.2 HB3 LYS 88 - HG2 GLN 86 far 0 54 0 - 5.8-6.8 HB VAL 25 - HG2 GLN 72 far 0 63 0 - 7.8-8.0 HG12 ILE 23 - HG2 GLN 72 far 0 70 0 - 8.3-8.6 HG LEU 55 - HG2 GLN 72 far 0 59 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (1.87, 2.27, 34.24 ppm; 3.13 A): 4 out of 8 assignments used, quality = 1.00: * HB3 GLN 96 + HG2 GLN 96 OK 100 100 100 100 2.5-2.8 3.0=100 HB2 GLN 89 + HG2 GLN 89 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 GLN 89 + HG3 GLN 89 OK 63 63 100 100 2.3-3.0 3.0=100 HB3 LEU 12 + HG2 GLN 72 OK 63 67 100 93 2.3-2.6 3.1/8775=35, 3.1/8076=21...(21) HB VAL 76 - HG2 GLN 72 far 0 51 0 - 5.9-6.1 HB VAL 103 - HG2 GLN 96 far 0 100 0 - 6.3-8.0 HB VAL 103 - HG2 GLN 72 far 0 70 0 - 7.4-9.9 HB2 LEU 17 - HG2 GLN 89 far 0 77 0 - 8.8-14.5 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (2.27, 2.27, 34.24 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLN 96 + HG2 GLN 96 OK 100 100 - 100 HG2 GLN 86 + HG2 GLN 86 OK 75 75 - 100 HG2 GLN 89 + HG2 GLN 89 OK 72 72 - 100 HG2 GLN 72 + HG2 GLN 72 OK 48 48 - 100 HG3 GLN 89 + HG3 GLN 89 OK 47 47 - 100 Peak 2665 from cnoeabs.peaks (2.20, 2.27, 34.24 ppm; 2.40 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 96 + HG2 GLN 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 89 + HG2 GLN 89 OK 48 48 100 100 1.8-1.8 1.8=100 HB VAL 102 - HG2 GLN 72 far 0 67 0 - 5.7-6.2 HB VAL 102 - HG2 GLN 96 far 0 99 0 - 6.2-6.8 HG3 GLN 89 - HG2 GLN 86 far 0 51 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (7.92, 2.27, 34.24 ppm; 5.26 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 96 + HG2 GLN 96 OK 100 100 100 100 3.4-3.7 3.5=100 H VAL 76 - HG2 GLN 72 far 0 53 0 - 6.0-6.1 Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (7.64, 2.27, 34.24 ppm; 4.00 A): 1 out of 9 assignments used, quality = 1.00: * HE22 GLN 96 + HG2 GLN 96 OK 100 100 100 100 2.1-2.7 3.5=100 H GLU 94 - HG2 GLN 96 far 0 100 0 - 5.8-7.1 H LYS 84 - HG2 GLN 89 far 0 73 0 - 5.8-11.0 H LYS 84 - HG3 GLN 89 far 0 60 0 - 6.3-11.2 H LYS 84 - HG2 GLN 86 far 0 77 0 - 6.5-6.7 HE21 GLN 19 - HG2 GLN 89 far 0 81 0 - 6.9-13.8 HE21 GLN 19 - HG3 GLN 89 far 0 66 0 - 7.1-13.7 H GLU 94 - HG2 GLN 89 far 0 82 0 - 9.2-12.8 H GLU 94 - HG3 GLN 89 far 0 68 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 2668 from cnoeabs.peaks (7.43, 2.27, 34.24 ppm; 4.45 A): 3 out of 7 assignments used, quality = 1.00: * H GLY 97 + HG2 GLN 96 OK 95 100 100 95 4.6-5.0 4.9=76, 7213/7209=59...(5) HE22 GLN 89 + HG2 GLN 89 OK 82 82 100 100 3.4-4.1 3.5=100 HE22 GLN 89 + HG3 GLN 89 OK 68 68 100 100 3.4-4.1 3.5=100 HZ3 TRP 16 - HG2 GLN 96 far 0 96 0 - 7.8-9.3 H VAL 25 - HG2 GLN 72 far 0 56 0 - 8.3-8.9 HE22 GLN 89 - HG2 GLN 86 far 0 86 0 - 8.8-15.4 HZ3 TRP 16 - HG2 GLN 89 far 0 75 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 2669 from cnoeabs.peaks (7.97, 2.20, 34.24 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 96 + HG3 GLN 96 OK 100 100 100 100 3.3-4.2 7210=100, 7209/1.8=85...(9) HD22 ASN 85 - HG3 GLN 89 far 0 55 0 - 9.5-15.1 Violated in 0 structures by 0.00 A. Peak 2670 from cnoeabs.peaks (3.70, 2.20, 34.24 ppm; 5.03 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 96 + HG3 GLN 96 OK 100 100 100 100 3.4-3.7 4.2=100 HA LEU 83 - HG3 GLN 89 far 5 54 10 - 5.4-9.5 HA2 GLY 97 - HG3 GLN 96 far 0 77 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (1.72, 2.20, 34.24 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 96 + HG3 GLN 96 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 LYS 88 - HG3 GLN 89 poor 15 32 45 - 4.3-7.9 Violated in 0 structures by 0.00 A. Peak 2672 from cnoeabs.peaks (1.87, 2.20, 34.24 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 96 + HG3 GLN 96 OK 100 100 100 100 2.2-2.4 3.0=100 HB2 GLN 89 + HG3 GLN 89 OK 51 51 100 100 2.3-3.0 3.0=100 HB VAL 103 - HG3 GLN 96 far 0 100 0 - 6.9-9.3 Violated in 0 structures by 0.00 A. Peak 2673 from cnoeabs.peaks (2.27, 2.20, 34.24 ppm; 2.40 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 96 + HG3 GLN 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 89 + HG3 GLN 89 OK 48 48 100 100 1.8-1.8 1.8=100 HB2 GLN 86 - HG3 GLN 89 far 0 56 0 - 7.1-10.8 HG3 GLU 94 - HG3 GLN 96 far 0 98 0 - 8.0-9.4 HG2 GLN 86 - HG3 GLN 89 far 0 47 0 - 8.9-13.0 HG3 GLU 94 - HG3 GLN 89 far 0 53 0 - 8.9-12.9 HB2 GLN 19 - HG3 GLN 89 far 0 56 0 - 9.3-14.8 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (2.20, 2.20, 34.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 96 + HG3 GLN 96 OK 100 100 - 100 HG3 GLN 89 + HG3 GLN 89 OK 30 30 - 100 Peak 2675 from cnoeabs.peaks (7.92, 2.20, 34.24 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 96 + HG3 GLN 96 OK 100 100 100 100 3.7-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2676 from cnoeabs.peaks (7.64, 2.20, 34.24 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HE22 GLN 96 + HG3 GLN 96 OK 100 100 100 100 2.8-3.6 3.5=100 H GLU 94 - HG3 GLN 96 far 0 100 0 - 5.2-7.2 H LYS 84 - HG3 GLN 89 far 0 48 0 - 6.3-11.2 HE21 GLN 19 - HG3 GLN 89 far 0 54 0 - 7.1-13.7 H GLU 94 - HG3 GLN 89 far 0 55 0 - 9.3-12.7 HD21 ASN 108 - HG3 GLN 96 far 0 100 0 - 9.8-19.7 Violated in 0 structures by 0.00 A. Peak 2677 from cnoeabs.peaks (7.43, 2.20, 34.24 ppm; 4.86 A): 2 out of 3 assignments used, quality = 1.00: * H GLY 97 + HG3 GLN 96 OK 100 100 100 100 4.7-5.2 4.9=99, 7213/7210=67...(5) HE22 GLN 89 + HG3 GLN 89 OK 55 55 100 100 3.4-4.1 3.5=100 HZ3 TRP 16 - HG3 GLN 96 far 0 96 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 2678 from cnoeabs.peaks (7.43, 3.67, 45.62 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 97 + HA2 GLY 97 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2679 from cnoeabs.peaks (3.67, 3.67, 45.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 97 + HA2 GLY 97 OK 100 100 - 100 Peak 2680 from cnoeabs.peaks (3.77, 3.67, 45.62 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 97 + HA2 GLY 97 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2681 from cnoeabs.peaks (7.11, 3.67, 45.62 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + HA2 GLY 97 OK 100 100 100 100 3.0-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 2682 from cnoeabs.peaks (7.43, 3.77, 45.62 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 97 + HA3 GLY 97 OK 100 100 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (3.67, 3.77, 45.62 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 97 + HA3 GLY 97 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLN 96 - HA3 GLY 97 far 0 77 0 - 5.3-5.4 Violated in 0 structures by 0.00 A. Peak 2684 from cnoeabs.peaks (3.77, 3.77, 45.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 97 + HA3 GLY 97 OK 100 100 - 100 Peak 2685 from cnoeabs.peaks (7.11, 3.77, 45.62 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + HA3 GLY 97 OK 100 100 100 100 3.2-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 2686 from cnoeabs.peaks (7.11, 3.81, 56.41 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + HA LYS 98 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2687 from cnoeabs.peaks (3.81, 3.81, 56.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 98 + HA LYS 98 OK 100 100 - 100 Peak 2688 from cnoeabs.peaks (1.15, 3.81, 56.41 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 98 + HA LYS 98 OK 100 100 100 100 2.4-2.7 3.0=100 HD3 LYS 98 + HA LYS 98 OK 69 71 100 97 2.5-3.5 2747=52, 3.0/8099=50...(14) Violated in 0 structures by 0.00 A. Peak 2689 from cnoeabs.peaks (1.31, 3.81, 56.41 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 98 + HA LYS 98 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 93 - HA LYS 98 far 0 100 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 2690 from cnoeabs.peaks (0.25, 3.81, 56.41 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 98 + HA LYS 98 OK 100 100 100 100 3.5-3.8 3.7=100 QG1 VAL 102 - HA LYS 98 far 0 87 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 2691 from cnoeabs.peaks (0.47, 3.81, 56.41 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 98 + HA LYS 98 OK 100 100 100 100 2.2-3.3 3.7=100 QG2 VAL 14 - HA LYS 98 far 0 82 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2692 from cnoeabs.peaks (0.87, 3.81, 56.41 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 98 + HA LYS 98 OK 100 100 100 100 2.0-4.1 1.8/2747=87, 3.0/8099=76...(18) QG2 VAL 102 - HA LYS 98 far 0 81 0 - 7.0-7.5 Violated in 3 structures by 0.00 A. Peak 2693 from cnoeabs.peaks (1.11, 3.81, 56.41 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 98 + HA LYS 98 OK 99 100 100 99 2.5-3.5 2747=79, 3.0/8099=53...(15) HB2 LYS 98 + HA LYS 98 OK 71 71 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2696 from cnoeabs.peaks (7.11, 1.15, 32.12 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + HB2 LYS 98 OK 100 100 100 100 2.5-2.9 7247=100, 7248/1.8=76...(12) Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (3.81, 1.15, 32.12 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 98 + HB2 LYS 98 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 PHE 79 - HB2 LYS 98 far 0 90 0 - 6.6-8.2 HB3 TRP 16 - HB2 LYS 98 far 0 71 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2698 from cnoeabs.peaks (1.15, 1.15, 32.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 98 + HB2 LYS 98 OK 100 100 - 100 Peak 2699 from cnoeabs.peaks (1.31, 1.15, 32.12 ppm; 2.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 98 + HB2 LYS 98 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 93 - HB2 LYS 98 far 0 100 0 - 7.1-8.1 HG3 LYS 88 - HB2 LYS 98 far 0 99 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2700 from cnoeabs.peaks (0.25, 1.15, 32.12 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 98 + HB2 LYS 98 OK 100 100 100 100 2.3-2.4 3.0=100 QG1 VAL 102 - HB2 LYS 98 far 0 87 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 2701 from cnoeabs.peaks (0.47, 1.15, 32.12 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 98 + HB2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 VAL 14 - HB2 LYS 98 far 0 82 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 2702 from cnoeabs.peaks (0.87, 1.15, 32.12 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 98 + HB2 LYS 98 OK 100 100 100 100 3.1-4.0 3.5=100 QG2 VAL 102 - HB2 LYS 98 far 0 81 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 2703 from cnoeabs.peaks (1.11, 1.15, 32.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: HB2 LYS 98 + HB2 LYS 98 OK 71 71 - 100 Reference assignment not found: HD3 LYS 98 - HB2 LYS 98 Peak 2706 from cnoeabs.peaks (7.11, 1.31, 32.12 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + HB3 LYS 98 OK 100 100 100 100 2.4-2.9 7248=100, 7247/1.8=69...(12) Violated in 0 structures by 0.00 A. Peak 2707 from cnoeabs.peaks (3.81, 1.31, 32.12 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 98 + HB3 LYS 98 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PHE 79 - HB3 LYS 98 far 0 90 0 - 5.6-6.9 HB3 TRP 16 - HB3 LYS 98 far 0 71 0 - 9.1-10.6 HA ALA 73 - HB3 LYS 98 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2708 from cnoeabs.peaks (1.15, 1.31, 32.12 ppm; 2.67 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 98 + HB3 LYS 98 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 98 + HB3 LYS 98 OK 51 71 90 80 2.3-4.2 3.5=44, 2747/3.0=21...(11) HB VAL 14 - HB3 LYS 98 far 0 87 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 2709 from cnoeabs.peaks (1.31, 1.31, 32.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 98 + HB3 LYS 98 OK 100 100 - 100 Peak 2710 from cnoeabs.peaks (0.25, 1.31, 32.12 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 98 + HB3 LYS 98 OK 100 100 100 100 2.4-2.6 3.0=100 QG1 VAL 102 - HB3 LYS 98 far 0 87 0 - 6.3-7.4 Violated in 0 structures by 0.00 A. Peak 2711 from cnoeabs.peaks (0.47, 1.31, 32.12 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 98 + HB3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 VAL 14 - HB3 LYS 98 far 0 82 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 2712 from cnoeabs.peaks (0.87, 1.31, 32.12 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 98 + HB3 LYS 98 OK 100 100 100 100 2.1-3.7 3.5=100 QG2 VAL 102 - HB3 LYS 98 far 0 81 0 - 5.3-6.4 QG2 VAL 103 - HB3 LYS 98 far 0 81 0 - 9.5-10.3 QG1 VAL 103 - HB3 LYS 98 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 2713 from cnoeabs.peaks (1.11, 1.31, 32.12 ppm; 2.90 A): 2 out of 3 assignments used, quality = 0.95: * HD3 LYS 98 + HB3 LYS 98 OK 82 100 90 91 2.3-4.2 3.5=57, 2747/3.0=36...(12) HB2 LYS 98 + HB3 LYS 98 OK 71 71 100 100 1.8-1.8 1.8=100 HB VAL 14 - HB3 LYS 98 far 0 99 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 2714 from cnoeabs.peaks (2.44, 1.31, 32.12 ppm; 5.85 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 98 + HB3 LYS 98 OK 100 100 100 100 3.6-4.8 5.2=100 HE3 LYS 98 + HB3 LYS 98 OK 100 100 100 100 3.7-5.4 5.2=100 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (7.11, 0.25, 23.77 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 98 + HG2 LYS 98 OK 100 100 100 100 4.6-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (3.81, 0.25, 23.77 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 98 + HG2 LYS 98 OK 100 100 100 100 3.5-3.8 3.7=100 HB2 PHE 79 - HG2 LYS 98 poor 16 90 30 61 4.2-6.7 ~10700=17, 2737/3.0=15...(9) Violated in 0 structures by 0.00 A. Peak 2718 from cnoeabs.peaks (1.15, 0.25, 23.77 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.3-2.4 3.0=100 HD3 LYS 98 + HG2 LYS 98 OK 71 71 100 100 2.4-3.0 3.0=100 HB VAL 14 - HG2 LYS 98 far 0 87 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2719 from cnoeabs.peaks (1.31, 0.25, 23.77 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 88 - HG2 LYS 98 far 0 99 0 - 7.9-10.9 QB ALA 93 - HG2 LYS 98 far 0 100 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 2720 from cnoeabs.peaks (0.25, 0.25, 23.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 98 + HG2 LYS 98 OK 100 100 - 100 Peak 2721 from cnoeabs.peaks (0.47, 0.25, 23.77 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 98 + HG2 LYS 98 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 14 - HG2 LYS 98 far 0 82 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 2722 from cnoeabs.peaks (0.87, 0.25, 23.77 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 VAL 102 - HG2 LYS 98 far 0 81 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 2723 from cnoeabs.peaks (1.11, 0.25, 23.77 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 98 + HG2 LYS 98 OK 71 71 100 100 2.3-2.4 3.0=100 HB VAL 14 - HG2 LYS 98 far 0 99 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (2.44, 0.25, 23.77 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.2-3.8 3.6=100 HE3 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.4-3.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 2725 from cnoeabs.peaks (2.44, 0.25, 23.77 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.4-3.7 3.6=100 HE2 LYS 98 + HG2 LYS 98 OK 100 100 100 100 2.2-3.8 3.6=100 Violated in 0 structures by 0.00 A. Peak 2726 from cnoeabs.peaks (7.11, 0.47, 23.77 ppm; 5.35 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 98 + HG3 LYS 98 OK 100 100 100 100 4.3-4.5 4.9=100 QD PHE 40 - QD2 LEU 15 far 0 32 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 2727 from cnoeabs.peaks (3.81, 0.47, 23.77 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.2-3.3 3.7=100 HB3 SER 105 - QD2 LEU 15 poor 8 38 20 - 4.2-5.0 HB2 SER 105 - QD2 LEU 15 far 4 38 10 - 3.9-6.4 HB3 TRP 16 - QD2 LEU 15 far 3 22 15 - 4.3-4.8 HB2 PHE 79 - HG3 LYS 98 far 0 90 0 - 4.4-7.7 HA ALA 73 - HG3 LYS 98 far 0 100 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 2728 from cnoeabs.peaks (1.15, 0.47, 23.77 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 98 + HG3 LYS 98 OK 71 71 100 100 2.3-3.0 3.0=100 HB VAL 14 - QD2 LEU 15 far 0 28 0 - 6.9-7.1 HB VAL 14 - HG3 LYS 98 far 0 87 0 - 8.9-12.1 HG3 LYS 13 - QD2 LEU 15 far 0 38 0 - 9.1-9.9 HG2 LYS 13 - QD2 LEU 15 far 0 38 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 2729 from cnoeabs.peaks (1.31, 0.47, 23.77 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 13 - QD2 LEU 15 far 0 38 0 - 7.3-8.1 QB ALA 93 - HG3 LYS 98 far 0 100 0 - 9.0-10.2 HG3 LYS 88 - HG3 LYS 98 far 0 99 0 - 9.0-12.6 QB ALA 93 - QD2 LEU 15 far 0 38 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 2730 from cnoeabs.peaks (0.25, 0.47, 23.77 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 98 + HG3 LYS 98 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 102 - HG3 LYS 98 far 0 87 0 - 6.7-9.4 QG1 VAL 102 - QD2 LEU 15 far 0 28 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 2731 from cnoeabs.peaks (0.47, 0.47, 23.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 98 + HG3 LYS 98 OK 100 100 - 100 QD2 LEU 15 + QD2 LEU 15 OK 21 21 - 100 Peak 2732 from cnoeabs.peaks (0.87, 0.47, 23.77 ppm; 3.26 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 15 + QD2 LEU 15 OK 27 27 100 100 2.1-2.1 2.1=100 QD2 LEU 17 + QD2 LEU 15 OK 25 28 100 86 2.4-2.9 10210/2.1=39...(13) QD1 LEU 17 + QD2 LEU 15 OK 20 23 100 87 2.7-3.7 ~10210=29, 2.1/11251=27...(13) QD1 LEU 109 - QD2 LEU 15 far 1 27 5 - 2.3-12.6 QG2 VAL 102 - HG3 LYS 98 far 0 81 0 - 5.3-8.0 QG1 VAL 103 - QD2 LEU 15 far 0 38 0 - 6.6-7.8 QG2 VAL 103 - QD2 LEU 15 far 0 26 0 - 8.6-9.4 QD1 LEU 12 - QD2 LEU 15 far 0 30 0 - 8.7-9.1 QG2 VAL 102 - QD2 LEU 15 far 0 26 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 2733 from cnoeabs.peaks (1.11, 0.47, 23.77 ppm; 3.56 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 98 + HG3 LYS 98 OK 71 71 100 100 2.4-3.0 3.0=100 HB VAL 14 - QD2 LEU 15 far 0 36 0 - 6.9-7.1 HB VAL 14 - HG3 LYS 98 far 0 99 0 - 8.9-12.1 HG3 LYS 13 - QD2 LEU 15 far 0 20 0 - 9.1-9.9 HG2 LYS 13 - QD2 LEU 15 far 0 20 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 2734 from cnoeabs.peaks (2.44, 0.47, 23.77 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.3-3.7 3.6=100 HE3 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.3-4.0 3.6=100 HB3 ASN 20 - QD2 LEU 15 far 0 37 0 - 5.6-8.2 HG2 GLN 19 - QD2 LEU 15 far 0 33 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 2735 from cnoeabs.peaks (2.44, 0.47, 23.77 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.3-4.0 3.6=100 HE2 LYS 98 + HG3 LYS 98 OK 100 100 100 100 2.3-3.7 3.6=100 HB3 ASN 20 - QD2 LEU 15 far 0 38 0 - 5.6-8.2 HG2 GLN 19 - QD2 LEU 15 far 0 31 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 2737 from cnoeabs.peaks (3.81, 0.87, 27.70 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.0-4.1 2692=100, 2747/1.8=93...(18) HB2 PHE 79 + HD2 LYS 98 OK 32 90 55 65 4.0-6.5 ~10700=21, ~10701=17...(8) HA ALA 73 - HD2 LYS 98 far 0 100 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 2738 from cnoeabs.peaks (1.15, 0.87, 27.70 ppm; 3.18 A): 2 out of 3 assignments used, quality = 0.91: HD3 LYS 98 + HD2 LYS 98 OK 71 71 100 100 1.8-1.8 1.8=100 * HB2 LYS 98 + HD2 LYS 98 OK 69 100 70 98 3.1-4.0 3.5=75, 3.0/2692=36...(18) HB VAL 14 - HD2 LYS 98 far 0 87 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 2739 from cnoeabs.peaks (1.31, 0.87, 27.70 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.1-3.7 3.5=100 HG3 LYS 88 - HD2 LYS 98 far 0 99 0 - 9.3-13.2 QB ALA 93 - HD2 LYS 98 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (0.25, 0.87, 27.70 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 QG1 VAL 102 - HD2 LYS 98 far 0 87 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 2741 from cnoeabs.peaks (0.47, 0.87, 27.70 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 VAL 14 - HD2 LYS 98 far 0 82 0 - 7.9-9.7 Violated in 0 structures by 0.00 A. Peak 2742 from cnoeabs.peaks (0.87, 0.87, 27.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 98 + HD2 LYS 98 OK 100 100 - 100 Peak 2743 from cnoeabs.peaks (1.11, 0.87, 27.70 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 98 + HD2 LYS 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 98 - HD2 LYS 98 poor 14 71 20 - 3.1-4.0 HB VAL 14 - HD2 LYS 98 far 0 99 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 2744 from cnoeabs.peaks (2.44, 0.87, 27.70 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2745 from cnoeabs.peaks (2.44, 0.87, 27.70 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 98 + HD2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (7.11, 1.11, 27.70 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 98 + HD3 LYS 98 OK 100 100 100 100 4.6-5.7 2.9/2747=95, 7248/3.5=93...(10) HH2 TRP 48 - HG3 ARG 66 far 0 35 0 - 8.0-11.1 Violated in 1 structures by 0.02 A. Peak 2747 from cnoeabs.peaks (3.81, 1.11, 27.70 ppm; 3.54 A increased from 3.33 A): 1 out of 3 assignments used, quality = 0.99: * HA LYS 98 + HD3 LYS 98 OK 99 100 100 99 2.5-3.5 8099/3.0=61, 2692/1.8=58...(15) HB2 PHE 79 - HD3 LYS 98 far 0 90 0 - 4.6-6.2 HA ALA 73 - HD3 LYS 98 far 0 100 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (1.15, 1.11, 27.70 ppm; diagonal): 2 out of 2 assignments used, quality = 0.86: HD3 LYS 98 + HD3 LYS 98 OK 71 71 - 100 HG3 ARG 66 + HG3 ARG 66 OK 50 50 - 100 Reference assignment not found: HB2 LYS 98 - HD3 LYS 98 Peak 2749 from cnoeabs.peaks (1.31, 1.11, 27.70 ppm; 3.26 A): 2 out of 5 assignments used, quality = 0.96: * HB3 LYS 98 + HD3 LYS 98 OK 93 100 95 98 2.3-4.2 3.5=81, 3.0/2747=46...(14) HG2 ARG 66 + HG3 ARG 66 OK 47 47 100 100 1.8-1.8 1.8=100 HB ILE 61 - HG3 ARG 66 far 1 28 5 - 3.8-6.8 HG3 LYS 88 - HD3 LYS 98 far 0 99 0 - 9.1-13.1 HG2 LYS 58 - HG3 ARG 66 far 0 37 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (0.25, 1.11, 27.70 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 98 + HD3 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 QG1 VAL 102 - HD3 LYS 98 far 0 87 0 - 7.0-9.2 Violated in 0 structures by 0.00 A. Peak 2751 from cnoeabs.peaks (0.47, 1.11, 27.70 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 98 + HD3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 52 - HG3 ARG 66 far 0 55 0 - 5.5-8.4 QD2 LEU 51 - HG3 ARG 66 far 0 55 0 - 7.1-7.7 QG2 VAL 14 - HD3 LYS 98 far 0 82 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 2752 from cnoeabs.peaks (0.87, 1.11, 27.70 ppm; 2.85 A): 1 out of 9 assignments used, quality = 1.00: * HD2 LYS 98 + HD3 LYS 98 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 67 - HG3 ARG 66 far 0 33 0 - 4.7-6.9 QG1 VAL 69 - HG3 ARG 66 far 0 41 0 - 5.4-6.4 QG2 VAL 102 - HD3 LYS 98 far 0 81 0 - 5.5-7.8 QD1 LEU 51 - HG3 ARG 66 far 0 53 0 - 6.2-7.2 QG2 VAL 25 - HG3 ARG 66 far 0 46 0 - 6.6-7.5 QG1 VAL 6 - HG3 ARG 66 far 0 42 0 - 8.0-13.5 QG2 VAL 6 - HG3 ARG 66 far 0 37 0 - 8.7-14.2 QD1 LEU 12 - HG3 ARG 66 far 0 45 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (1.11, 1.11, 27.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 98 + HD3 LYS 98 OK 100 100 - 100 HG3 ARG 66 + HG3 ARG 66 OK 47 47 - 100 Peak 2754 from cnoeabs.peaks (2.44, 1.11, 27.70 ppm; 3.17 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 98 + HD3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 98 + HD3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 65 - HG3 ARG 66 far 3 51 5 - 3.7-6.8 Violated in 0 structures by 0.00 A. Peak 2755 from cnoeabs.peaks (2.44, 1.11, 27.70 ppm; 3.17 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 98 + HD3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 98 + HD3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 65 - HG3 ARG 66 far 3 53 5 - 3.7-6.8 Violated in 0 structures by 0.00 A. Peak 2757 from cnoeabs.peaks (3.81, 2.44, 41.65 ppm; 4.76 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.0-5.1 2747/3.0=86, 8099/3.6=82...(10) HA LYS 98 + HE3 LYS 98 OK 75 100 75 100 3.5-5.7 2747/3.0=86, 8099/3.6=82...(11) HB2 PHE 79 + HE3 LYS 98 OK 63 89 90 78 2.9-6.2 2.4/10701=37, ~10701=25...(7) HB2 PHE 79 + HE2 LYS 98 OK 59 90 85 78 3.2-7.2 2.4/10701=34, ~10701=27...(6) Violated in 0 structures by 0.00 A. Peak 2760 from cnoeabs.peaks (0.25, 2.44, 41.65 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.2-3.8 3.6=100 HG2 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.4-3.7 3.6=100 QG1 VAL 102 - HE3 LYS 98 far 0 87 0 - 7.9-9.8 QG1 VAL 102 - HE2 LYS 98 far 0 87 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 2761 from cnoeabs.peaks (0.47, 2.44, 41.65 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.3-3.7 3.6=100 HG3 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.3-4.0 3.6=100 QD2 LEU 51 - HB2 ASP 65 far 0 70 0 - 7.9-9.0 QG2 VAL 14 - HE3 LYS 98 far 0 82 0 - 8.6-10.6 QG2 VAL 14 - HE2 LYS 98 far 0 82 0 - 8.6-10.4 HB2 LYS 52 - HB2 ASP 65 far 0 70 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 2762 from cnoeabs.peaks (0.87, 2.44, 41.65 ppm; 3.48 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.2-3.0 3.0=100 QG1 VAL 69 - HB2 ASP 65 far 0 53 0 - 4.1-4.7 QG1 VAL 6 - HB2 ASP 65 far 0 54 0 - 6.2-9.4 QG2 VAL 25 - HB2 ASP 65 far 0 59 0 - 6.3-7.2 QG2 VAL 102 - HE3 LYS 98 far 0 80 0 - 6.4-8.6 QG2 VAL 102 - HE2 LYS 98 far 0 81 0 - 6.5-8.2 QG2 VAL 6 - HB2 ASP 65 far 0 48 0 - 6.7-9.3 QD1 LEU 51 - HB2 ASP 65 far 0 67 0 - 6.9-8.2 QG2 ILE 67 - HB2 ASP 65 far 0 43 0 - 7.9-8.2 QG2 ILE 11 - HB2 ASP 65 far 0 63 0 - 8.1-8.4 QD1 LEU 12 - HB2 ASP 65 far 0 58 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 2763 from cnoeabs.peaks (1.11, 2.44, 41.65 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 66 - HB2 ASP 65 far 6 61 10 - 3.7-6.8 HB2 LYS 98 - HE2 LYS 98 far 4 71 5 - 2.2-5.4 HB2 LYS 98 - HE3 LYS 98 far 4 71 5 - 2.8-5.5 QG2 THR 8 - HB2 ASP 65 far 0 47 0 - 5.9-6.2 QD1 LEU 36 - HB2 ASP 65 far 0 38 0 - 6.7-7.5 QG2 THR 5 - HB2 ASP 65 far 0 59 0 - 9.0-12.7 HG LEU 51 - HB2 ASP 65 far 0 70 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 2764 from cnoeabs.peaks (2.44, 2.44, 41.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 98 + HE2 LYS 98 OK 100 100 - 100 HE3 LYS 98 + HE3 LYS 98 OK 100 100 - 100 HB2 ASP 65 + HB2 ASP 65 OK 65 65 - 100 Peak 2765 from cnoeabs.peaks (2.44, 2.44, 41.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 98 + HE3 LYS 98 OK 100 100 - 100 HE2 LYS 98 + HE2 LYS 98 OK 100 100 - 100 HB2 ASP 65 + HB2 ASP 65 OK 67 67 - 100 Reference assignment not found: HE3 LYS 98 - HE2 LYS 98 Peak 2767 from cnoeabs.peaks (3.81, 2.44, 41.65 ppm; 4.76 A): 4 out of 4 assignments used, quality = 1.00: HA LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.0-5.1 2747/3.0=86, 8099/3.6=82...(10) * HA LYS 98 + HE3 LYS 98 OK 75 100 75 100 3.5-5.7 2747/3.0=86, 8099/3.6=82...(11) HB2 PHE 79 + HE3 LYS 98 OK 63 90 90 78 2.9-6.2 2.4/10701=37, ~10701=25...(7) HB2 PHE 79 + HE2 LYS 98 OK 59 89 85 78 3.2-7.2 2.4/10701=34, ~10701=27...(6) Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (0.25, 2.44, 41.65 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.4-3.7 3.6=100 HG2 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.2-3.8 3.6=100 QG1 VAL 102 - HE3 LYS 98 far 0 87 0 - 7.9-9.8 QG1 VAL 102 - HE2 LYS 98 far 0 87 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 2771 from cnoeabs.peaks (0.47, 2.44, 41.65 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.3-4.0 3.6=100 HG3 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.3-3.7 3.6=100 QD2 LEU 51 - HB2 ASP 65 far 0 72 0 - 7.9-9.0 QG2 VAL 14 - HE3 LYS 98 far 0 82 0 - 8.6-10.6 QG2 VAL 14 - HE2 LYS 98 far 0 82 0 - 8.6-10.4 HB2 LYS 52 - HB2 ASP 65 far 0 72 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 2772 from cnoeabs.peaks (0.87, 2.44, 41.65 ppm; 3.48 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.4-3.0 3.0=100 QG1 VAL 69 - HB2 ASP 65 far 0 55 0 - 4.1-4.7 QG1 VAL 6 - HB2 ASP 65 far 0 56 0 - 6.2-9.4 QG2 VAL 25 - HB2 ASP 65 far 0 61 0 - 6.3-7.2 QG2 VAL 102 - HE3 LYS 98 far 0 81 0 - 6.4-8.6 QG2 VAL 102 - HE2 LYS 98 far 0 80 0 - 6.5-8.2 QG2 VAL 6 - HB2 ASP 65 far 0 49 0 - 6.7-9.3 QD1 LEU 51 - HB2 ASP 65 far 0 69 0 - 6.9-8.2 QG2 ILE 67 - HB2 ASP 65 far 0 44 0 - 7.9-8.2 QG2 ILE 11 - HB2 ASP 65 far 0 65 0 - 8.1-8.4 QD1 LEU 12 - HB2 ASP 65 far 0 59 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 2773 from cnoeabs.peaks (1.11, 2.44, 41.65 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 98 + HE3 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 98 + HE2 LYS 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 66 - HB2 ASP 65 far 6 63 10 - 3.7-6.8 HB2 LYS 98 - HE3 LYS 98 far 4 71 5 - 2.8-5.5 HB2 LYS 98 - HE2 LYS 98 far 4 71 5 - 2.2-5.4 QG2 THR 8 - HB2 ASP 65 far 0 48 0 - 5.9-6.2 QD1 LEU 36 - HB2 ASP 65 far 0 40 0 - 6.7-7.5 QG2 THR 5 - HB2 ASP 65 far 0 61 0 - 9.0-12.7 HG LEU 51 - HB2 ASP 65 far 0 72 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (2.44, 2.44, 41.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 98 + HE3 LYS 98 OK 100 100 - 100 HE2 LYS 98 + HE2 LYS 98 OK 100 100 - 100 HB2 ASP 65 + HB2 ASP 65 OK 67 67 - 100 Reference assignment not found: HE2 LYS 98 - HE3 LYS 98 Peak 2775 from cnoeabs.peaks (2.44, 2.44, 41.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 98 + HE3 LYS 98 OK 100 100 - 100 HE2 LYS 98 + HE2 LYS 98 OK 100 100 - 100 HB2 ASP 65 + HB2 ASP 65 OK 69 69 - 100 Peak 2776 from cnoeabs.peaks (5.11, 3.27, 49.86 ppm; 3.07 A): 1 out of 1 assignment used, quality = 0.99: * HA PHE 99 + HD2 PRO 100 OK 99 100 100 99 1.9-2.5 2777=74, 2778/1.8=70...(12) Violated in 0 structures by 0.00 A. Peak 2777 from cnoeabs.peaks (3.27, 5.11, 54.68 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + HA PHE 99 OK 100 100 100 100 1.9-2.5 2776=100, 1.8/2778=81...(12) Violated in 0 structures by 0.00 A. Peak 2778 from cnoeabs.peaks (5.11, 3.63, 49.86 ppm; 3.01 A): 1 out of 1 assignment used, quality = 0.99: * HA PHE 99 + HD3 PRO 100 OK 99 100 100 99 1.9-2.7 3809=76, 2776/1.8=65...(13) Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (3.63, 5.11, 54.68 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 100 + HA PHE 99 OK 100 100 100 100 1.9-2.7 2778=100, 1.8/2776=76...(13) Violated in 0 structures by 0.00 A. Peak 2780 from cnoeabs.peaks (4.50, 3.27, 49.86 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 100 + HD2 PRO 100 OK 100 100 100 100 3.6-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 2781 from cnoeabs.peaks (2.37, 3.27, 49.86 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 100 + HD2 PRO 100 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 GLU 101 - HD2 PRO 100 far 0 96 0 - 5.8-7.2 HG2 GLU 75 - HD2 PRO 100 far 0 100 0 - 8.0-10.7 Violated in 3 structures by 0.02 A. Peak 2782 from cnoeabs.peaks (1.99, 3.27, 49.86 ppm; 2.92 A): 2 out of 4 assignments used, quality = 0.92: HG2 PRO 100 + HD2 PRO 100 OK 71 71 100 100 2.3-3.0 2.3=100 HG3 PRO 100 + HD2 PRO 100 OK 71 71 100 100 2.3-2.7 2.3=100 ! HB3 PRO 100 - HD2 PRO 100 far 0 100 0 - 3.9-4.0 HB2 GLN 72 - HD2 PRO 100 far 0 100 0 - 6.2-8.1 Violated in 0 structures by 0.00 A. Peak 2783 from cnoeabs.peaks (1.96, 3.27, 49.86 ppm; 2.82 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 100 + HD2 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 100 + HD2 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 100 - HD2 PRO 100 far 0 71 0 - 3.9-4.0 HB3 GLU 101 - HD2 PRO 100 far 0 96 0 - 5.1-6.7 HB2 GLN 72 - HD2 PRO 100 far 0 77 0 - 6.2-8.1 Violated in 0 structures by 0.00 A. Peak 2784 from cnoeabs.peaks (1.96, 3.27, 49.86 ppm; 2.82 A): 2 out of 5 assignments used, quality = 1.00: HG2 PRO 100 + HD2 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 100 + HD2 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 100 - HD2 PRO 100 far 0 71 0 - 3.9-4.0 HB3 GLU 101 - HD2 PRO 100 far 0 96 0 - 5.1-6.7 HB2 GLN 72 - HD2 PRO 100 far 0 77 0 - 6.2-8.1 Violated in 0 structures by 0.00 A. Peak 2785 from cnoeabs.peaks (3.27, 3.27, 49.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + HD2 PRO 100 OK 100 100 - 100 Peak 2786 from cnoeabs.peaks (3.63, 3.27, 49.86 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 100 + HD2 PRO 100 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2787 from cnoeabs.peaks (8.85, 3.27, 49.86 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 101 + HD2 PRO 100 OK 100 100 100 100 2.7-3.9 7261=100, 7258/2.3=95...(6) Violated in 0 structures by 0.00 A. Peak 2788 from cnoeabs.peaks (4.50, 3.63, 49.86 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 100 + HD3 PRO 100 OK 100 100 100 100 3.6-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (2.37, 3.63, 49.86 ppm; 4.03 A increased from 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 100 + HD3 PRO 100 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 GLU 101 - HD3 PRO 100 far 0 96 0 - 5.8-7.2 HG2 GLU 75 - HD3 PRO 100 far 0 100 0 - 7.9-10.8 Violated in 0 structures by 0.00 A. Peak 2790 from cnoeabs.peaks (1.99, 3.63, 49.86 ppm; 2.92 A): 2 out of 4 assignments used, quality = 0.92: HG2 PRO 100 + HD3 PRO 100 OK 71 71 100 100 2.3-3.0 2.3=100 HG3 PRO 100 + HD3 PRO 100 OK 71 71 100 100 2.3-2.7 2.3=100 ! HB3 PRO 100 - HD3 PRO 100 far 0 100 0 - 3.9-4.0 HB2 GLN 72 - HD3 PRO 100 far 0 100 0 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 2791 from cnoeabs.peaks (1.96, 3.63, 49.86 ppm; 2.82 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 100 + HD3 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 100 + HD3 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 100 - HD3 PRO 100 far 0 71 0 - 3.9-4.0 HB3 GLU 101 - HD3 PRO 100 far 0 96 0 - 5.1-6.7 HB2 GLN 72 - HD3 PRO 100 far 0 77 0 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (1.96, 3.63, 49.86 ppm; 2.82 A): 2 out of 5 assignments used, quality = 1.00: HG2 PRO 100 + HD3 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 100 + HD3 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 100 - HD3 PRO 100 far 0 71 0 - 3.9-4.0 HB3 GLU 101 - HD3 PRO 100 far 0 96 0 - 5.1-6.7 HB2 GLN 72 - HD3 PRO 100 far 0 77 0 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (3.27, 3.63, 49.86 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + HD3 PRO 100 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2794 from cnoeabs.peaks (3.63, 3.63, 49.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 100 + HD3 PRO 100 OK 100 100 - 100 Peak 2795 from cnoeabs.peaks (8.85, 3.63, 49.86 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 101 + HD3 PRO 100 OK 100 100 100 100 2.7-3.9 7262=100, 7258/2.3=87...(6) Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (4.50, 4.50, 64.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 100 + HA PRO 100 OK 100 100 - 100 Peak 2797 from cnoeabs.peaks (2.37, 4.50, 64.48 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 100 + HA PRO 100 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 GLU 101 - HA PRO 100 far 0 96 0 - 6.3-6.4 Violated in 0 structures by 0.00 A. Peak 2798 from cnoeabs.peaks (1.99, 4.50, 64.48 ppm; 2.89 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 100 + HA PRO 100 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 100 - HA PRO 100 far 0 71 0 - 3.9-3.9 HG3 PRO 100 - HA PRO 100 far 0 71 0 - 4.0-4.0 HB2 GLN 72 - HA PRO 100 far 0 100 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 2799 from cnoeabs.peaks (1.96, 4.50, 64.48 ppm; 2.98 A): 1 out of 5 assignments used, quality = 0.71: HB3 PRO 100 + HA PRO 100 OK 71 71 100 100 2.7-2.7 2.3=100 ! HG2 PRO 100 - HA PRO 100 far 0 100 0 - 3.9-3.9 HG3 PRO 100 - HA PRO 100 far 0 100 0 - 4.0-4.0 HB3 GLU 101 - HA PRO 100 far 0 96 0 - 6.2-6.3 HB2 GLN 72 - HA PRO 100 far 0 77 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (1.96, 4.50, 64.48 ppm; 2.98 A): 1 out of 5 assignments used, quality = 0.71: HB3 PRO 100 + HA PRO 100 OK 71 71 100 100 2.7-2.7 2.3=100 HG2 PRO 100 - HA PRO 100 far 0 100 0 - 3.9-3.9 ! HG3 PRO 100 - HA PRO 100 far 0 100 0 - 4.0-4.0 HB3 GLU 101 - HA PRO 100 far 0 96 0 - 6.2-6.3 HB2 GLN 72 - HA PRO 100 far 0 77 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 2801 from cnoeabs.peaks (3.27, 4.50, 64.48 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + HA PRO 100 OK 100 100 100 100 3.6-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 2803 from cnoeabs.peaks (8.85, 4.50, 64.48 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 101 + HA PRO 100 OK 100 100 100 100 3.4-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 2804 from cnoeabs.peaks (4.50, 2.37, 32.06 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 100 + HB2 PRO 100 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 2805 from cnoeabs.peaks (2.37, 2.37, 32.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 100 + HB2 PRO 100 OK 100 100 - 100 Peak 2806 from cnoeabs.peaks (1.99, 2.37, 32.06 ppm; 2.40 A): 3 out of 4 assignments used, quality = 1.00: * HB3 PRO 100 + HB2 PRO 100 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 100 + HB2 PRO 100 OK 71 71 100 100 2.3-2.3 2.3=100 HG2 PRO 100 + HB2 PRO 100 OK 71 71 100 100 3.0-3.0 2.3=100 HB2 GLN 72 - HB2 PRO 100 far 0 100 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 2807 from cnoeabs.peaks (1.96, 2.37, 32.06 ppm; 2.48 A): 3 out of 5 assignments used, quality = 1.00: HG3 PRO 100 + HB2 PRO 100 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 100 + HB2 PRO 100 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 100 + HB2 PRO 100 OK 71 71 100 100 1.8-1.8 1.8=100 HB3 GLU 101 - HB2 PRO 100 far 0 96 0 - 7.1-7.1 HB2 GLN 72 - HB2 PRO 100 far 0 77 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 2808 from cnoeabs.peaks (1.96, 2.37, 32.06 ppm; 2.48 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 100 + HB2 PRO 100 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 100 + HB2 PRO 100 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 100 + HB2 PRO 100 OK 71 71 100 100 1.8-1.8 1.8=100 HB3 GLU 101 - HB2 PRO 100 far 0 96 0 - 7.1-7.1 HB2 GLN 72 - HB2 PRO 100 far 0 77 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 2809 from cnoeabs.peaks (3.27, 2.37, 32.06 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + HB2 PRO 100 OK 100 100 100 100 3.0-3.9 3.0=100 Violated in 3 structures by 0.02 A. Peak 2810 from cnoeabs.peaks (3.63, 2.37, 32.06 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 100 + HB2 PRO 100 OK 100 100 100 100 3.0-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2811 from cnoeabs.peaks (8.85, 2.37, 32.06 ppm; 4.49 A increased from 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 101 + HB2 PRO 100 OK 100 100 100 100 4.2-4.4 3.9=100 Violated in 0 structures by 0.00 A. Peak 2812 from cnoeabs.peaks (4.50, 1.99, 32.06 ppm; 3.00 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 100 + HB3 PRO 100 OK 100 100 100 100 2.7-2.7 2.3=100 HA SER 9 - HB2 GLN 27 far 0 37 0 - 6.2-6.8 HA SER 9 - HB3 GLN 27 far 0 39 0 - 7.8-8.1 HA TRP 60 - HB2 GLN 27 far 0 56 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2813 from cnoeabs.peaks (2.37, 1.99, 32.06 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 100 + HB3 PRO 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 101 - HB3 PRO 100 far 0 96 0 - 5.4-5.6 HG2 GLU 54 - HB3 GLN 27 far 0 49 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 2814 from cnoeabs.peaks (1.99, 1.99, 32.06 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 PRO 100 + HB3 PRO 100 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 85 85 - 100 HB3 GLN 27 + HB3 GLN 27 OK 54 54 - 100 HB2 GLN 27 + HB2 GLN 27 OK 49 49 - 100 Peak 2815 from cnoeabs.peaks (1.96, 1.99, 32.06 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HB2 LYS 31 + HB2 LYS 31 OK 84 84 - 100 HB3 PRO 100 + HB3 PRO 100 OK 71 71 - 100 HB3 GLN 27 + HB3 GLN 27 OK 55 55 - 100 HB2 GLN 27 + HB2 GLN 27 OK 55 55 - 100 Reference assignment not found: HG2 PRO 100 - HB3 PRO 100 Peak 2816 from cnoeabs.peaks (1.96, 1.99, 32.06 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HB2 LYS 31 + HB2 LYS 31 OK 84 84 - 100 HB3 PRO 100 + HB3 PRO 100 OK 71 71 - 100 HB3 GLN 27 + HB3 GLN 27 OK 55 55 - 100 HB2 GLN 27 + HB2 GLN 27 OK 55 55 - 100 Reference assignment not found: HG3 PRO 100 - HB3 PRO 100 Peak 2817 from cnoeabs.peaks (3.27, 1.99, 32.06 ppm; 3.92 A increased from 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + HB3 PRO 100 OK 100 100 100 100 3.9-4.0 3.0=100 Violated in 3 structures by 0.02 A. Peak 2818 from cnoeabs.peaks (3.63, 1.99, 32.06 ppm; 4.25 A increased from 3.58 A): 3 out of 9 assignments used, quality = 1.00: * HD3 PRO 100 + HB3 PRO 100 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 SER 34 + HB3 GLN 27 OK 44 44 100 99 3.5-4.6 8557/3.0=55, 9125/3.0=46...(11) HB3 SER 34 + HB2 GLN 27 OK 39 42 95 99 4.6-5.7 8557/3.0=55, 9125/3.0=46...(11) HA2 GLY 30 - HB2 LYS 31 poor 17 87 20 - 4.7-5.6 HB3 SER 34 - HB2 LYS 31 far 0 70 0 - 6.5-7.7 HB2 SER 9 - HB2 GLN 27 far 0 48 0 - 6.8-7.6 HB3 SER 9 - HB2 GLN 27 far 0 46 0 - 7.1-8.4 HB2 SER 9 - HB3 GLN 27 far 0 51 0 - 7.9-8.5 HB3 SER 9 - HB3 GLN 27 far 0 49 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 2819 from cnoeabs.peaks (8.85, 1.99, 32.06 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 101 + HB3 PRO 100 OK 100 100 100 100 3.5-3.7 3.9=100 H LYS 13 - HB3 GLN 27 far 0 62 0 - 9.4-9.7 H LYS 13 - HB2 GLN 27 far 0 59 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2820 from cnoeabs.peaks (4.50, 1.96, 27.17 ppm; 3.92 A increased from 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 100 + HG2 PRO 100 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 100 + HG3 PRO 100 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 2821 from cnoeabs.peaks (2.37, 1.96, 27.17 ppm; 2.75 A): 2 out of 5 assignments used, quality = 1.00: HB2 PRO 100 + HG3 PRO 100 OK 100 100 100 100 2.3-2.3 2.3=100 * HB2 PRO 100 + HG2 PRO 100 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 GLU 101 - HG2 PRO 100 far 0 96 0 - 4.8-4.9 HB2 GLU 101 - HG3 PRO 100 far 0 96 0 - 6.6-6.7 HG2 GLU 75 - HG2 PRO 100 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2822 from cnoeabs.peaks (1.99, 1.96, 27.17 ppm; diagonal): 2 out of 2 assignments used, quality = 0.92: HG3 PRO 100 + HG3 PRO 100 OK 71 71 - 100 HG2 PRO 100 + HG2 PRO 100 OK 71 71 - 100 Reference assignment not found: HB3 PRO 100 - HG2 PRO 100 Peak 2823 from cnoeabs.peaks (1.96, 1.96, 27.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 100 + HG3 PRO 100 OK 100 100 - 100 * HG2 PRO 100 + HG2 PRO 100 OK 100 100 - 100 Peak 2824 from cnoeabs.peaks (1.96, 1.96, 27.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 100 + HG3 PRO 100 OK 100 100 - 100 HG2 PRO 100 + HG2 PRO 100 OK 100 100 - 100 Reference assignment not found: HG3 PRO 100 - HG2 PRO 100 Peak 2825 from cnoeabs.peaks (3.27, 1.96, 27.17 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 100 + HG2 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 100 + HG3 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (3.63, 1.96, 27.17 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 100 + HG2 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 100 + HG3 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (8.85, 1.96, 27.17 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 101 + HG2 PRO 100 OK 97 100 100 97 2.6-2.9 7258=71, 7262/2.3=61...(8) H GLU 101 - HG3 PRO 100 far 0 100 0 - 4.1-4.3 Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (4.50, 1.96, 27.17 ppm; 3.92 A increased from 3.30 A): 2 out of 2 assignments used, quality = 1.00: HA PRO 100 + HG2 PRO 100 OK 100 100 100 100 3.9-3.9 3.8=100 * HA PRO 100 + HG3 PRO 100 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 2829 from cnoeabs.peaks (2.37, 1.96, 27.17 ppm; 2.75 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 100 + HG3 PRO 100 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 100 + HG2 PRO 100 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 GLU 101 - HG2 PRO 100 far 0 96 0 - 4.8-4.9 HB2 GLU 101 - HG3 PRO 100 far 0 96 0 - 6.6-6.7 HG2 GLU 75 - HG2 PRO 100 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2830 from cnoeabs.peaks (1.99, 1.96, 27.17 ppm; diagonal): 2 out of 2 assignments used, quality = 0.92: HG3 PRO 100 + HG3 PRO 100 OK 71 71 - 100 HG2 PRO 100 + HG2 PRO 100 OK 71 71 - 100 Reference assignment not found: HB3 PRO 100 - HG3 PRO 100 Peak 2831 from cnoeabs.peaks (1.96, 1.96, 27.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 100 + HG3 PRO 100 OK 100 100 - 100 HG2 PRO 100 + HG2 PRO 100 OK 100 100 - 100 Reference assignment not found: HG2 PRO 100 - HG3 PRO 100 Peak 2832 from cnoeabs.peaks (1.96, 1.96, 27.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 100 + HG3 PRO 100 OK 100 100 - 100 HG2 PRO 100 + HG2 PRO 100 OK 100 100 - 100 Peak 2833 from cnoeabs.peaks (3.27, 1.96, 27.17 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 100 + HG2 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 * HD2 PRO 100 + HG3 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (3.63, 1.96, 27.17 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 100 + HG2 PRO 100 OK 100 100 100 100 2.3-3.0 2.3=100 * HD3 PRO 100 + HG3 PRO 100 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 2835 from cnoeabs.peaks (8.85, 1.96, 27.17 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.97: H GLU 101 + HG2 PRO 100 OK 97 100 100 97 2.6-2.9 7258=71, 7262/2.3=61...(8) ! H GLU 101 - HG3 PRO 100 far 0 100 0 - 4.1-4.3 Violated in 0 structures by 0.00 A. Peak 2836 from cnoeabs.peaks (8.85, 4.42, 56.12 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 101 + HA GLU 101 OK 100 100 100 100 2.9-2.9 3.0=100 H LYS 13 - HA GLU 101 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (4.42, 4.42, 56.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 101 + HA GLU 101 OK 100 100 - 100 Peak 2838 from cnoeabs.peaks (2.35, 4.42, 56.12 ppm; 2.87 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLU 101 + HA GLU 101 OK 99 100 100 99 2.3-2.3 3.0=86, 3.0/2841=43...(24) HB2 PRO 100 - HA GLU 101 far 0 96 0 - 5.6-5.7 HG2 GLU 75 - HA GLU 101 far 0 93 0 - 9.3-10.6 HB2 ASP 26 - HA GLU 101 far 0 70 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 2839 from cnoeabs.peaks (1.95, 4.42, 56.12 ppm; 3.12 A increased from 2.94 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 101 + HA GLU 101 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 PRO 100 - HA GLU 101 far 0 96 0 - 4.4-4.5 HG3 PRO 100 - HA GLU 101 far 0 96 0 - 6.0-6.1 HB VAL 69 - HA GLU 101 far 0 85 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 2840 from cnoeabs.peaks (2.28, 4.42, 56.12 ppm; 2.99 A increased from 2.66 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 101 + HA GLU 101 OK 100 100 100 100 2.9-2.9 2858=93, 3.0/2838=49...(28) HG3 GLU 101 - HA GLU 101 far 0 100 0 - 3.7-3.7 HB3 GLN 72 - HA GLU 101 far 0 100 0 - 4.9-5.0 HG2 GLN 72 - HA GLU 101 far 0 98 0 - 5.8-6.2 HB2 GLU 75 - HA GLU 101 far 0 98 0 - 9.0-9.1 HB2 ASP 26 - HA GLU 101 far 0 59 0 - 9.4-10.0 HG2 GLN 96 - HA GLU 101 far 0 95 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 2841 from cnoeabs.peaks (2.28, 4.42, 56.12 ppm; 2.99 A increased from 2.66 A): 1 out of 7 assignments used, quality = 1.00: HG2 GLU 101 + HA GLU 101 OK 100 100 100 100 2.9-2.9 2865=93, 3.0/2838=49...(28) ! HG3 GLU 101 - HA GLU 101 far 0 100 0 - 3.7-3.7 HB3 GLN 72 - HA GLU 101 far 0 100 0 - 4.9-5.0 HG2 GLN 72 - HA GLU 101 far 0 99 0 - 5.8-6.2 HB2 GLU 75 - HA GLU 101 far 0 98 0 - 9.0-9.1 HB2 ASP 26 - HA GLU 101 far 0 61 0 - 9.4-10.0 HG2 GLN 96 - HA GLU 101 far 0 94 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 2842 from cnoeabs.peaks (7.76, 4.42, 56.12 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 102 + HA GLU 101 OK 100 100 100 100 3.1-3.2 3.6=98, 7268/3.0=68...(8) H GLN 72 - HA GLU 101 far 0 100 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 2843 from cnoeabs.peaks (8.85, 2.35, 29.35 ppm; 3.85 A increased from 3.62 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 101 + HB2 GLU 101 OK 100 100 100 100 3.6-3.7 7264=100, 3.0/2838=76...(12) H TRP 80 - HB2 GLN 81 far 0 80 0 - 4.9-6.4 H LYS 13 - HB2 GLU 101 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 2844 from cnoeabs.peaks (4.42, 2.35, 29.35 ppm; 3.16 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 101 + HB2 GLU 101 OK 100 100 100 100 2.3-2.3 3.0=100 HA ASP 82 - HB2 GLN 81 far 0 100 0 - 5.0-5.7 HA VAL 103 - HB2 GLU 101 far 0 70 0 - 8.6-8.7 HA VAL 21 - HB2 GLN 81 far 0 85 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (2.35, 2.35, 29.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 101 + HB2 GLU 101 OK 100 100 - 100 HB2 GLN 81 + HB2 GLN 81 OK 100 100 - 100 Peak 2846 from cnoeabs.peaks (1.95, 2.35, 29.35 ppm; 2.76 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 101 + HB2 GLU 101 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 100 - HB2 GLU 101 far 0 96 0 - 4.8-4.9 HG3 PRO 100 - HB2 GLU 101 far 0 96 0 - 6.6-6.7 HG3 PRO 43 - HB2 GLN 81 far 0 90 0 - 6.8-8.8 HB VAL 69 - HB2 GLU 101 far 0 85 0 - 7.3-8.0 HB3 GLN 19 - HB2 GLN 81 far 0 71 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2847 from cnoeabs.peaks (2.28, 2.35, 29.35 ppm; 2.65 A): 2 out of 7 assignments used, quality = 1.00: HG3 GLU 101 + HB2 GLU 101 OK 98 100 100 98 3.0-3.0 3.0=69, 1.8/2859=31...(21) * HG2 GLU 101 + HB2 GLU 101 OK 97 100 100 97 2.6-2.6 3.0=69, 2840/2838=38...(16) HB3 GLN 72 - HB2 GLU 101 poor 13 100 35 36 3.1-3.4 10491/7264=13...(6) HG2 GLN 72 - HB2 GLU 101 far 0 98 0 - 4.7-5.3 HB2 GLU 75 - HB2 GLU 101 far 0 98 0 - 7.9-8.2 HB3 GLU 75 - HB2 GLU 101 far 0 99 0 - 9.1-9.4 HG2 GLN 86 - HB2 GLN 81 far 0 100 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 2848 from cnoeabs.peaks (2.28, 2.35, 29.35 ppm; 2.65 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 101 + HB2 GLU 101 OK 98 100 100 98 3.0-3.0 3.0=69, 1.8/2859=31...(21) HG2 GLU 101 + HB2 GLU 101 OK 97 100 100 97 2.6-2.6 3.0=69, 2841/2838=38...(16) HB3 GLN 72 - HB2 GLU 101 poor 13 100 35 36 3.1-3.4 10491/7264=13...(6) HG2 GLN 72 - HB2 GLU 101 far 0 99 0 - 4.7-5.3 HB2 GLU 75 - HB2 GLU 101 far 0 98 0 - 7.9-8.2 HB3 GLU 75 - HB2 GLU 101 far 0 98 0 - 9.1-9.4 HG2 GLN 86 - HB2 GLN 81 far 0 100 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 2849 from cnoeabs.peaks (7.76, 2.35, 29.35 ppm; 4.84 A increased from 4.56 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 102 + HB2 GLU 101 OK 100 100 100 100 4.5-4.6 4.1=100 H GLN 72 - HB2 GLU 101 far 0 100 0 - 5.6-5.8 HD22 ASN 71 - HB2 GLU 101 far 0 82 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 2850 from cnoeabs.peaks (8.85, 1.95, 29.35 ppm; 2.97 A): 2 out of 5 assignments used, quality = 1.00: H ALA 64 + HB3 GLU 63 OK 99 100 100 100 2.1-2.2 6832=94, 6831/1.8=48...(16) * H GLU 101 + HB3 GLU 101 OK 96 100 100 96 3.0-3.0 7265=52, 7257/1.8=46...(12) H TRP 80 - HG13 ILE 90 far 0 78 0 - 7.8-9.4 H LYS 13 - HB3 GLU 101 far 0 100 0 - 8.8-9.3 H LYS 13 - HB2 GLU 54 far 0 99 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 2851 from cnoeabs.peaks (4.42, 1.95, 29.35 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 101 + HB3 GLU 101 OK 100 100 100 100 2.9-3.0 3.0=100 HA VAL 103 - HB3 GLU 101 far 0 70 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 2852 from cnoeabs.peaks (2.35, 1.95, 29.35 ppm; 2.64 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 101 + HB3 GLU 101 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 54 + HB2 GLU 54 OK 96 98 100 99 2.6-2.7 3.0=69, 1642/1.8=56...(16) HG2 GLU 75 - HB3 GLU 101 far 0 93 0 - 6.4-7.7 HB2 PRO 100 - HB3 GLU 101 far 0 96 0 - 7.1-7.1 HG2 GLU 56 - HB2 GLU 54 far 0 74 0 - 7.2-8.0 HG2 GLU 56 - HB3 GLU 63 far 0 77 0 - 8.7-11.0 HG2 GLN 50 - HB2 GLU 54 far 0 63 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (1.95, 1.95, 29.35 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 101 + HB3 GLU 101 OK 100 100 - 100 HB3 GLU 63 + HB3 GLU 63 OK 100 100 - 100 HG13 ILE 90 + HG13 ILE 90 OK 98 98 - 100 HB2 GLU 54 + HB2 GLU 54 OK 97 97 - 100 HB2 GLU 94 + HB2 GLU 94 OK 39 39 - 100 Peak 2854 from cnoeabs.peaks (2.28, 1.95, 29.35 ppm; 2.55 A): 5 out of 14 assignments used, quality = 1.00: HG3 GLU 101 + HB3 GLU 101 OK 96 100 100 96 2.3-2.3 3.0=61, 2859/1.8=29...(17) * HG2 GLU 101 + HB3 GLU 101 OK 95 100 100 95 3.0-3.0 3.0=61, 2840/3.0=33...(13) HG3 GLU 54 + HB2 GLU 54 OK 85 88 100 97 2.9-3.0 3.0=62, 1649/1.8=50...(16) HG3 GLU 94 + HB2 GLU 94 OK 40 44 100 92 2.5-2.7 3.0=61, 2617/3.0=24...(21) HB3 GLN 72 + HB3 GLU 101 OK 33 100 100 33 2.0-2.1 10491/4.0=12, 3.0/9673=7...(6) HG2 GLN 72 - HB3 GLU 101 far 0 98 0 - 3.7-4.2 HG3 GLU 94 - HG13 ILE 90 far 0 76 0 - 5.4-6.7 HG2 GLN 89 - HG13 ILE 90 far 0 63 0 - 6.1-8.8 HB2 GLU 75 - HB3 GLU 101 far 0 98 0 - 6.3-6.5 HB3 GLU 75 - HB3 GLU 101 far 0 99 0 - 7.6-7.8 HG2 GLN 96 - HB2 GLU 94 far 0 57 0 - 7.9-9.0 HG2 GLN 96 - HG13 ILE 90 far 0 92 0 - 7.9-10.8 HB2 GLN 86 - HG13 ILE 90 far 0 92 0 - 8.9-11.0 HG2 GLN 89 - HB2 GLU 94 far 0 35 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2855 from cnoeabs.peaks (2.28, 1.95, 29.35 ppm; 2.55 A): 5 out of 14 assignments used, quality = 1.00: * HG3 GLU 101 + HB3 GLU 101 OK 96 100 100 96 2.3-2.3 3.0=61, 2866/1.8=29...(17) HG2 GLU 101 + HB3 GLU 101 OK 95 100 100 95 3.0-3.0 3.0=61, 2841/3.0=33...(13) HG3 GLU 54 + HB2 GLU 54 OK 84 86 100 97 2.9-3.0 3.0=62, 1649/1.8=49...(16) HG3 GLU 94 + HB2 GLU 94 OK 39 43 100 92 2.5-2.7 3.0=61, 2617/3.0=24...(21) HB3 GLN 72 + HB3 GLU 101 OK 33 100 100 33 2.0-2.1 10491/4.0=12, 3.0/9673=7...(6) HG2 GLN 72 - HB3 GLU 101 far 0 99 0 - 3.7-4.2 HG3 GLU 94 - HG13 ILE 90 far 0 74 0 - 5.4-6.7 HG2 GLN 89 - HG13 ILE 90 far 0 61 0 - 6.1-8.8 HB2 GLU 75 - HB3 GLU 101 far 0 98 0 - 6.3-6.5 HB3 GLU 75 - HB3 GLU 101 far 0 98 0 - 7.6-7.8 HG2 GLN 96 - HB2 GLU 94 far 0 56 0 - 7.9-9.0 HG2 GLN 96 - HG13 ILE 90 far 0 91 0 - 7.9-10.8 HB2 GLN 86 - HG13 ILE 90 far 0 91 0 - 8.9-11.0 HG2 GLN 89 - HB2 GLU 94 far 0 34 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2856 from cnoeabs.peaks (7.76, 1.95, 29.35 ppm; 3.97 A increased from 3.53 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 102 + HB3 GLU 101 OK 100 100 100 100 3.7-3.9 4.1=89, 2842/3.0=66...(8) H GLN 72 - HB3 GLU 101 far 0 100 0 - 4.8-5.0 HD22 ASN 71 - HB3 GLU 101 far 0 82 0 - 8.0-8.6 HD22 ASN 71 - HB3 GLU 63 far 0 82 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (8.85, 2.28, 36.59 ppm; 2.93 A): 2 out of 2 assignments used, quality = 1.00: H GLU 101 + HG3 GLU 101 OK 97 100 100 97 2.1-2.2 7266=51, 7266/1.8=35...(13) * H GLU 101 + HG2 GLU 101 OK 93 100 100 93 2.4-2.6 7266=49, 3.0/2840=45...(8) Violated in 0 structures by 0.00 A. Peak 2858 from cnoeabs.peaks (4.42, 2.28, 36.59 ppm; 3.06 A increased from 2.72 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 101 + HG2 GLU 101 OK 100 100 100 100 2.9-2.9 2840=100, 2838/3.0=51...(28) HA GLU 101 - HG3 GLU 101 far 0 100 0 - 3.7-3.7 HA VAL 103 - HG3 GLU 101 far 0 69 0 - 9.0-9.2 HA VAL 103 - HG2 GLU 101 far 0 70 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 2859 from cnoeabs.peaks (2.35, 2.28, 36.59 ppm; 2.70 A increased from 2.40 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 101 + HG3 GLU 101 OK 99 100 100 99 3.0-3.0 3.0=73, 2848/1.8=31...(21) * HB2 GLU 101 + HG2 GLU 101 OK 97 100 100 97 2.6-2.6 3.0=73, 2838/2840=40...(16) HB2 PRO 100 - HG2 GLU 101 far 0 96 0 - 4.8-5.0 HB2 PRO 100 - HG3 GLU 101 far 0 96 0 - 5.6-5.6 HG2 GLU 75 - HG3 GLU 101 far 0 93 0 - 6.5-7.8 HG2 GLU 75 - HG2 GLU 101 far 0 93 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 2860 from cnoeabs.peaks (1.95, 2.28, 36.59 ppm; 2.44 A): 3 out of 11 assignments used, quality = 1.00: HB3 GLU 101 + HG3 GLU 101 OK 94 100 100 94 2.3-2.3 3.0=54, 1.8/2859=27...(18) * HB3 GLU 101 + HG2 GLU 101 OK 92 100 100 92 3.0-3.0 3.0=54, 3.0/2840=30...(14) HB2 GLU 94 + HG3 GLU 94 OK 26 30 100 87 2.5-2.7 3.0=54, 1.8/1637=22...(20) HG2 PRO 100 - HG3 GLU 101 lone 16 96 100 17 2.9-3.0 2827/7266=13, 7273/2863=3 HG2 PRO 100 - HG2 GLU 101 lone 15 96 100 15 2.3-2.5 2827/7266=13, 7273/2863=3 HG3 PRO 100 - HG2 GLU 101 far 0 96 0 - 4.1-4.2 HG3 PRO 100 - HG3 GLU 101 far 0 96 0 - 4.5-4.6 HG13 ILE 90 - HG3 GLU 94 far 0 50 0 - 5.4-6.7 HB VAL 69 - HG3 GLU 101 far 0 85 0 - 9.5-10.0 HB VAL 69 - HG2 GLU 101 far 0 85 0 - 9.9-10.4 HB3 GLN 89 - HG3 GLU 94 far 0 50 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (2.28, 2.28, 36.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 101 + HG2 GLU 101 OK 100 100 - 100 HG3 GLU 101 + HG3 GLU 101 OK 100 100 - 100 HG3 GLU 94 + HG3 GLU 94 OK 34 34 - 100 Peak 2862 from cnoeabs.peaks (2.28, 2.28, 36.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 101 + HG3 GLU 101 OK 100 100 - 100 HG2 GLU 101 + HG2 GLU 101 OK 100 100 - 100 HG3 GLU 94 + HG3 GLU 94 OK 33 33 - 100 Reference assignment not found: HG3 GLU 101 - HG2 GLU 101 Peak 2863 from cnoeabs.peaks (7.76, 2.28, 36.59 ppm; 4.37 A increased from 3.68 A): 2 out of 6 assignments used, quality = 1.00: H VAL 102 + HG3 GLU 101 OK 100 100 100 100 4.2-4.4 2856/3.0=69...(10) * H VAL 102 + HG2 GLU 101 OK 99 100 100 99 4.5-4.7 2842/2840=77...(8) H GLN 72 - HG3 GLU 101 far 0 100 0 - 6.3-6.5 H GLN 72 - HG2 GLU 101 far 0 100 0 - 7.3-7.5 HD22 ASN 71 - HG3 GLU 101 far 0 82 0 - 8.9-9.4 HD22 ASN 71 - HG2 GLU 101 far 0 82 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (8.85, 2.28, 36.59 ppm; 2.93 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 101 + HG3 GLU 101 OK 97 100 100 97 2.1-2.2 7267=51, 7266/1.8=35...(13) H GLU 101 + HG2 GLU 101 OK 93 100 100 93 2.4-2.6 7267=49, 3.0/2841=45...(8) Violated in 0 structures by 0.00 A. Peak 2865 from cnoeabs.peaks (4.42, 2.28, 36.59 ppm; 3.06 A increased from 2.72 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 101 + HG2 GLU 101 OK 100 100 100 100 2.9-2.9 2841=100, 2838/3.0=51...(28) ! HA GLU 101 - HG3 GLU 101 far 0 100 0 - 3.7-3.7 HA VAL 103 - HG3 GLU 101 far 0 70 0 - 9.0-9.2 HA VAL 103 - HG2 GLU 101 far 0 69 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 2866 from cnoeabs.peaks (2.35, 2.28, 36.59 ppm; 2.70 A increased from 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 101 + HG3 GLU 101 OK 99 100 100 99 3.0-3.0 3.0=73, 2848/1.8=31...(21) HB2 GLU 101 + HG2 GLU 101 OK 97 100 100 97 2.6-2.6 3.0=73, 2838/2841=40...(16) HB2 PRO 100 - HG2 GLU 101 far 0 96 0 - 4.8-5.0 HB2 PRO 100 - HG3 GLU 101 far 0 96 0 - 5.6-5.6 HG2 GLU 75 - HG3 GLU 101 far 0 93 0 - 6.5-7.8 HG2 GLU 75 - HG2 GLU 101 far 0 93 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 2867 from cnoeabs.peaks (1.95, 2.28, 36.59 ppm; 2.44 A): 3 out of 11 assignments used, quality = 1.00: * HB3 GLU 101 + HG3 GLU 101 OK 94 100 100 94 2.3-2.3 3.0=54, 1.8/2866=27...(18) HB3 GLU 101 + HG2 GLU 101 OK 92 100 100 92 3.0-3.0 3.0=54, 3.0/2841=30...(14) HB2 GLU 94 + HG3 GLU 94 OK 25 29 100 87 2.5-2.7 3.0=54, 1.8/1637=21...(20) HG2 PRO 100 - HG3 GLU 101 lone 16 96 100 17 2.9-3.0 2827/7267=13, 7273/2870=3 HG2 PRO 100 - HG2 GLU 101 lone 15 96 100 15 2.3-2.5 2827/7267=13, 7273/2870=3 HG3 PRO 100 - HG2 GLU 101 far 0 96 0 - 4.1-4.2 HG3 PRO 100 - HG3 GLU 101 far 0 96 0 - 4.5-4.6 HG13 ILE 90 - HG3 GLU 94 far 0 48 0 - 5.4-6.7 HB VAL 69 - HG3 GLU 101 far 0 85 0 - 9.5-10.0 HB VAL 69 - HG2 GLU 101 far 0 85 0 - 9.9-10.4 HB3 GLN 89 - HG3 GLU 94 far 0 48 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2868 from cnoeabs.peaks (2.28, 2.28, 36.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 101 + HG3 GLU 101 OK 100 100 - 100 HG2 GLU 101 + HG2 GLU 101 OK 100 100 - 100 HG3 GLU 94 + HG3 GLU 94 OK 33 33 - 100 Reference assignment not found: HG2 GLU 101 - HG3 GLU 101 Peak 2869 from cnoeabs.peaks (2.28, 2.28, 36.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 101 + HG3 GLU 101 OK 100 100 - 100 HG2 GLU 101 + HG2 GLU 101 OK 100 100 - 100 HG3 GLU 94 + HG3 GLU 94 OK 32 32 - 100 Peak 2870 from cnoeabs.peaks (7.76, 2.28, 36.59 ppm; 4.37 A increased from 3.68 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 102 + HG3 GLU 101 OK 100 100 100 100 4.2-4.4 2856/3.0=69...(10) H VAL 102 + HG2 GLU 101 OK 99 100 100 99 4.5-4.7 2842/2841=77...(8) H GLN 72 - HG3 GLU 101 far 0 100 0 - 6.3-6.5 H GLN 72 - HG2 GLU 101 far 0 100 0 - 7.3-7.5 HD22 ASN 71 - HG3 GLU 101 far 0 82 0 - 8.9-9.4 HD22 ASN 71 - HG2 GLU 101 far 0 82 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (7.76, 4.24, 60.97 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 102 + HA VAL 102 OK 100 100 100 100 2.9-2.9 3.0=100 H GLN 72 - HA VAL 102 far 0 100 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 2872 from cnoeabs.peaks (4.24, 4.24, 60.97 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA VAL 102 + HA VAL 102 OK 100 100 - 100 HA ILE 28 + HA ILE 28 OK 78 78 - 100 HA VAL 29 + HA VAL 29 OK 74 74 - 100 Peak 2873 from cnoeabs.peaks (2.19, 4.24, 60.97 ppm; 4.06 A): 2 out of 5 assignments used, quality = 1.00: * HB VAL 102 + HA VAL 102 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLN 27 + HA ILE 28 OK 74 81 95 96 4.3-4.9 742/3.0=55, ~733=39...(11) HG3 GLN 27 - HA VAL 29 poor 15 75 20 - 4.6-5.5 HB2 PRO 35 - HA ILE 28 far 0 80 0 - 9.2-9.3 HG3 GLN 96 - HA VAL 102 far 0 99 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (0.23, 4.24, 60.97 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 102 + HA VAL 102 OK 100 100 100 100 2.1-2.3 3.2=100 QB ALA 24 - HA VAL 102 far 0 79 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (0.84, 4.24, 60.97 ppm; 3.13 A): 1 out of 18 assignments used, quality = 0.98: * QG2 VAL 102 + HA VAL 102 OK 98 100 100 98 2.4-2.6 3.2=94, 2889/3.0=47...(7) QG2 VAL 6 - HA VAL 29 poor 15 75 20 - 3.5-5.8 QG1 VAL 103 - HA VAL 102 far 4 73 5 - 3.5-5.5 QG2 ILE 11 - HA VAL 102 far 0 98 0 - 4.0-4.2 QD1 LEU 12 - HA VAL 102 far 0 100 0 - 4.7-5.2 QG1 VAL 6 - HA VAL 29 far 0 75 0 - 5.6-8.2 QG2 ILE 11 - HA ILE 28 far 0 77 0 - 5.9-6.0 QG2 VAL 25 - HA VAL 102 far 0 99 0 - 6.1-6.4 QG2 VAL 6 - HA ILE 28 far 0 81 0 - 7.0-8.3 QG2 ILE 23 - HA VAL 102 far 0 65 0 - 7.2-7.5 QG1 VAL 103 - HA ILE 28 far 0 53 0 - 8.2-9.7 QD1 LEU 51 - HA VAL 102 far 0 94 0 - 8.6-8.9 QG1 VAL 6 - HA ILE 28 far 0 81 0 - 8.8-10.8 QG2 VAL 25 - HA ILE 28 far 0 80 0 - 8.9-9.1 QD1 LEU 109 - HA ILE 28 far 0 81 0 - 9.0-22.8 QD1 LEU 109 - HA VAL 102 far 0 100 0 - 9.2-17.8 QG2 ILE 11 - HA VAL 29 far 0 71 0 - 9.3-9.4 HD2 LYS 98 - HA VAL 102 far 0 81 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (8.37, 4.24, 60.97 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 103 + HA VAL 102 OK 99 100 100 99 2.2-2.3 3.5=95, 2888/3.2=44...(8) H ALA 73 - HA VAL 102 far 0 100 0 - 6.5-6.9 H ILE 77 - HA VAL 102 far 0 82 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (7.76, 2.19, 33.09 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 102 + HB VAL 102 OK 100 100 100 100 2.7-2.9 4.0=100 H GLN 72 - HB VAL 102 far 0 100 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 2878 from cnoeabs.peaks (4.24, 2.19, 33.09 ppm; 4.53 A): 3 out of 3 assignments used, quality = 1.00: * HA VAL 102 + HB VAL 102 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 28 + HG3 GLN 27 OK 97 98 100 99 4.3-4.9 3.0/6355=67, ~733=49...(11) HA VAL 29 + HG3 GLN 27 OK 29 99 30 99 4.6-5.5 804/8195=88, ~8194=52...(5) Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (2.19, 2.19, 33.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 102 + HB VAL 102 OK 100 100 - 100 HG3 GLN 27 + HG3 GLN 27 OK 99 99 - 100 Peak 2880 from cnoeabs.peaks (0.23, 2.19, 33.09 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 102 + HB VAL 102 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 98 - HB VAL 102 far 0 87 0 - 7.5-9.3 QB ALA 24 - HB VAL 102 far 0 79 0 - 8.6-9.4 QB ALA 24 - HG3 GLN 27 far 0 77 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2881 from cnoeabs.peaks (0.84, 2.19, 33.09 ppm; 3.59 A): 1 out of 14 assignments used, quality = 1.00: * QG2 VAL 102 + HB VAL 102 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 103 - HB VAL 102 far 0 73 0 - 5.1-6.2 QG2 VAL 6 - HG3 GLN 27 far 0 99 0 - 5.7-7.6 QD1 LEU 12 - HB VAL 102 far 0 100 0 - 6.1-6.3 QG2 ILE 11 - HB VAL 102 far 0 98 0 - 6.3-6.6 HD2 LYS 98 - HB VAL 102 far 0 81 0 - 7.0-8.6 QG2 ILE 23 - HB VAL 102 far 0 65 0 - 7.1-7.6 QG1 VAL 6 - HG3 GLN 27 far 0 99 0 - 7.2-9.7 QG2 VAL 25 - HB VAL 102 far 0 99 0 - 8.3-8.5 QG2 ILE 11 - HG3 GLN 27 far 0 97 0 - 8.3-8.6 QG2 VAL 25 - HG3 GLN 27 far 0 98 0 - 8.5-8.9 QD1 LEU 51 - HG3 GLN 27 far 0 92 0 - 9.3-9.7 QD1 LEU 109 - HB VAL 102 far 0 100 0 - 9.3-17.3 QD1 LEU 109 - HG3 GLN 27 far 0 99 0 - 9.3-22.4 Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (7.76, 0.23, 22.37 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 102 + QG1 VAL 102 OK 100 100 100 100 3.9-3.9 4.0=100 H GLN 72 - QG1 VAL 102 far 0 100 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 2884 from cnoeabs.peaks (4.24, 0.23, 22.37 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 102 + QG1 VAL 102 OK 100 100 100 100 2.1-2.3 3.2=100 HA ALA 24 - QG1 VAL 102 far 0 99 0 - 7.1-7.5 HB THR 74 - QG1 VAL 102 far 0 96 0 - 8.4-8.7 HA3 GLY 106 - QG1 VAL 102 far 0 99 0 - 9.5-11.0 HA LEU 109 - QG1 VAL 102 far 0 94 0 - 9.6-16.5 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (2.19, 0.23, 22.37 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 102 + QG1 VAL 102 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 GLN 96 - QG1 VAL 102 far 0 99 0 - 7.2-7.9 HB3 GLU 94 - QG1 VAL 102 far 0 59 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2886 from cnoeabs.peaks (0.23, 0.23, 22.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 102 + QG1 VAL 102 OK 100 100 - 100 Peak 2887 from cnoeabs.peaks (0.84, 0.23, 22.37 ppm; 3.06 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 102 + QG1 VAL 102 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 103 - QG1 VAL 102 far 11 73 15 - 3.3-4.6 QD1 LEU 12 - QG1 VAL 102 far 5 100 5 - 3.6-3.8 QG2 ILE 23 - QG1 VAL 102 far 0 65 0 - 4.4-4.8 QG2 ILE 11 - QG1 VAL 102 far 0 98 0 - 4.9-5.2 QG2 VAL 25 - QG1 VAL 102 far 0 99 0 - 5.5-5.9 HD2 LYS 98 - QG1 VAL 102 far 0 81 0 - 7.1-8.7 QD1 LEU 51 - QG1 VAL 102 far 0 94 0 - 7.2-7.6 QD1 LEU 109 - QG1 VAL 102 far 0 100 0 - 7.6-13.3 HG LEU 15 - QG1 VAL 102 far 0 100 0 - 8.0-8.3 QD1 LEU 17 - QG1 VAL 102 far 0 100 0 - 9.0-9.7 QD2 LEU 17 - QG1 VAL 102 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2888 from cnoeabs.peaks (8.37, 0.23, 22.37 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.99: * H VAL 103 + QG1 VAL 102 OK 99 100 100 99 1.9-2.2 7285=88, 2876/3.2=63...(9) H ALA 73 - QG1 VAL 102 far 0 100 0 - 5.3-5.7 H ILE 77 - QG1 VAL 102 far 0 82 0 - 5.4-5.7 H TRP 48 - QG1 VAL 102 far 0 57 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 2889 from cnoeabs.peaks (7.76, 0.84, 22.84 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 102 + QG2 VAL 102 OK 100 100 100 100 2.4-2.8 7279=89, 7277/2.1=56...(14) H GLN 72 - QG2 VAL 102 far 0 100 0 - 4.8-5.1 HD22 ASN 71 - QG2 VAL 102 far 0 82 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 2890 from cnoeabs.peaks (4.24, 0.84, 22.84 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 102 + QG2 VAL 102 OK 100 100 100 100 2.4-2.6 3.2=100 HA LEU 109 - QD2 LEU 17 far 11 74 15 - 2.6-16.3 HB THR 74 - QG2 VAL 102 far 0 96 0 - 7.2-7.5 HA3 GLY 106 - QD2 LEU 17 far 0 82 0 - 8.2-12.8 HA ALA 24 - QG2 VAL 102 far 0 99 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 2891 from cnoeabs.peaks (2.19, 0.84, 22.84 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 102 + QG2 VAL 102 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 110 - QD2 LEU 17 far 0 67 0 - 4.6-19.7 HB2 ASN 20 - QD2 LEU 17 far 0 71 0 - 4.9-6.2 HG3 GLN 96 - QG2 VAL 102 far 0 99 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 2892 from cnoeabs.peaks (0.23, 0.84, 22.84 ppm; 2.94 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 102 + QG2 VAL 102 OK 100 100 100 100 1.9-2.1 2.1=100 HG2 LYS 98 - QG2 VAL 102 far 0 87 0 - 6.3-8.2 QB ALA 24 - QG2 VAL 102 far 0 79 0 - 7.2-8.0 QB ALA 24 - QD2 LEU 17 far 0 60 0 - 8.7-9.1 QG1 VAL 102 - QD2 LEU 17 far 0 84 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2893 from cnoeabs.peaks (0.84, 0.84, 22.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 102 + QG2 VAL 102 OK 100 100 - 100 QD2 LEU 17 + QD2 LEU 17 OK 84 84 - 100 Peak 2894 from cnoeabs.peaks (8.37, 0.84, 22.84 ppm; 3.72 A): 2 out of 6 assignments used, quality = 0.99: * H VAL 103 + QG2 VAL 102 OK 98 100 100 98 3.9-4.1 4.3=65, 2888/2.1=64...(6) H ASP 18 + QD2 LEU 17 OK 60 63 100 96 1.9-2.6 3.6/447=57, 4.9=45...(9) H GLU 110 - QD2 LEU 17 far 11 74 15 - 3.1-16.5 H ALA 73 - QG2 VAL 102 far 0 100 0 - 4.3-4.6 H ILE 77 - QG2 VAL 102 far 0 82 0 - 5.3-5.7 H TRP 48 - QG2 VAL 102 far 0 57 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 2895 from cnoeabs.peaks (8.37, 4.39, 61.97 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 103 + HA VAL 103 OK 100 100 100 100 2.9-2.9 3.0=100 H GLU 110 - HA VAL 103 far 0 94 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (4.39, 4.39, 61.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 103 + HA VAL 103 OK 100 100 - 100 Peak 2897 from cnoeabs.peaks (1.87, 4.39, 61.97 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 103 + HA VAL 103 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 12 - HA VAL 103 far 0 100 0 - 6.3-7.2 HB3 GLN 96 - HA VAL 103 far 0 100 0 - 7.0-8.1 HB VAL 76 - HA VAL 103 far 0 87 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 2898 from cnoeabs.peaks (0.87, 4.39, 61.97 ppm; 2.85 A): 2 out of 9 assignments used, quality = 0.99: * QG1 VAL 103 + HA VAL 103 OK 95 100 100 95 2.3-3.2 3.2=70, 2.1/2911=37...(15) QG2 VAL 103 + HA VAL 103 OK 82 87 100 95 2.2-2.7 3.2=70, 2.1/2906=36...(15) QG2 ILE 11 - HA VAL 103 far 0 92 0 - 4.8-5.5 QG2 VAL 102 - HA VAL 103 far 0 73 0 - 5.5-5.6 QD1 LEU 109 - HA VAL 103 far 0 77 0 - 5.6-16.2 QD1 LEU 12 - HA VAL 103 far 0 85 0 - 7.5-8.2 QG2 VAL 25 - HA VAL 103 far 0 87 0 - 8.5-9.3 QG1 VAL 69 - HA VAL 103 far 0 91 0 - 8.8-9.5 HG LEU 15 - HA VAL 103 far 0 77 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (0.90, 4.39, 61.97 ppm; 2.77 A): 2 out of 3 assignments used, quality = 0.99: * QG2 VAL 103 + HA VAL 103 OK 94 100 100 94 2.2-2.7 3.2=65, 2.1/2906=35...(15) QG1 VAL 103 + HA VAL 103 OK 81 87 100 93 2.3-3.2 3.2=65, 2.1/2911=35...(14) QG1 VAL 69 - HA VAL 103 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (8.37, 1.87, 32.73 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 103 + HB VAL 103 OK 100 100 100 100 2.5-3.7 4.0=92, 2910/2.1=49...(11) H GLU 110 - HB VAL 103 far 0 94 0 - 9.2-18.8 H ALA 73 - HB VAL 103 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 2901 from cnoeabs.peaks (4.39, 1.87, 32.73 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 103 + HB VAL 103 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 101 - HB VAL 103 far 0 70 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 2902 from cnoeabs.peaks (1.87, 1.87, 32.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 103 + HB VAL 103 OK 100 100 - 100 Peak 2903 from cnoeabs.peaks (0.87, 1.87, 32.73 ppm; 2.64 A): 2 out of 10 assignments used, quality = 1.00: * QG1 VAL 103 + HB VAL 103 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 103 + HB VAL 103 OK 87 87 100 100 2.1-2.1 2.1=100 QG2 ILE 11 - HB VAL 103 far 0 92 0 - 4.0-5.2 QG2 VAL 102 - HB VAL 103 far 0 73 0 - 6.0-7.0 QD1 LEU 12 - HB VAL 103 far 0 85 0 - 6.0-8.4 QD1 LEU 109 - HB VAL 103 far 0 77 0 - 6.3-15.8 QG2 VAL 25 - HB VAL 103 far 0 87 0 - 6.6-9.0 QG1 VAL 69 - HB VAL 103 far 0 91 0 - 7.4-9.4 HG LEU 15 - HB VAL 103 far 0 77 0 - 8.7-9.5 QD1 LEU 51 - HB VAL 103 far 0 97 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 2904 from cnoeabs.peaks (0.90, 1.87, 32.73 ppm; 2.62 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 103 + HB VAL 103 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 103 + HB VAL 103 OK 87 87 100 100 2.1-2.1 2.1=100 QG1 VAL 69 - HB VAL 103 far 0 100 0 - 7.4-9.4 QD1 LEU 51 - HB VAL 103 far 0 61 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 2905 from cnoeabs.peaks (8.37, 0.87, 20.65 ppm; 3.68 A): 2 out of 8 assignments used, quality = 1.00: * H VAL 103 + QG1 VAL 103 OK 99 100 100 99 1.9-3.8 3.9=84, 2900/2.1=64...(11) H VAL 103 + QG2 VAL 103 OK 63 64 100 99 2.1-2.9 3.9=84, 2900/2.1=64...(13) H GLU 110 - QG1 VAL 103 far 0 94 0 - 6.1-14.7 H GLU 110 - QG2 VAL 103 far 0 55 0 - 8.3-17.2 H ALA 73 - QG2 VAL 103 far 0 62 0 - 8.4-9.5 H ALA 73 - QG1 VAL 103 far 0 100 0 - 8.6-10.5 H ILE 77 - QG1 VAL 103 far 0 82 0 - 9.7-11.3 H ILE 77 - QG2 VAL 103 far 0 46 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2906 from cnoeabs.peaks (4.39, 0.87, 20.65 ppm; 2.87 A): 2 out of 4 assignments used, quality = 0.98: * HA VAL 103 + QG1 VAL 103 OK 95 100 100 95 2.3-3.2 3.2=72, 2899/2.1=34...(14) HA VAL 103 + QG2 VAL 103 OK 60 64 100 95 2.2-2.7 3.2=72, 2898/2.1=33...(14) HA GLU 101 - QG2 VAL 103 far 0 37 0 - 5.1-5.4 HA GLU 101 - QG1 VAL 103 far 0 70 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 2907 from cnoeabs.peaks (1.87, 0.87, 20.65 ppm; 2.69 A): 2 out of 9 assignments used, quality = 1.00: * HB VAL 103 + QG1 VAL 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 103 + QG2 VAL 103 OK 64 64 100 100 2.1-2.1 2.1=100 HB3 LEU 12 - QG2 VAL 103 far 0 62 0 - 4.1-5.6 HB3 LEU 12 - QG1 VAL 103 far 0 100 0 - 4.6-6.6 HB3 GLN 96 - QG1 VAL 103 far 0 100 0 - 7.5-8.8 HB3 GLN 96 - QG2 VAL 103 far 0 63 0 - 7.6-9.2 HB VAL 76 - QG1 VAL 103 far 0 87 0 - 8.0-9.6 HB VAL 76 - QG2 VAL 103 far 0 49 0 - 8.1-9.2 HB2 GLU 110 - QG1 VAL 103 far 0 91 0 - 8.2-17.0 Violated in 0 structures by 0.00 A. Peak 2908 from cnoeabs.peaks (0.87, 0.87, 20.65 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QG1 VAL 103 + QG1 VAL 103 OK 100 100 - 100 QG1 VAL 6 + QG1 VAL 6 OK 58 58 - 100 QG2 VAL 103 + QG2 VAL 103 OK 49 49 - 100 QG2 VAL 6 + QG2 VAL 6 OK 43 43 - 100 Peak 2909 from cnoeabs.peaks (0.90, 0.87, 20.65 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: QG1 VAL 103 + QG1 VAL 103 OK 87 87 - 100 QG2 VAL 103 + QG2 VAL 103 OK 64 64 - 100 Reference assignment not found: QG2 VAL 103 - QG1 VAL 103 Peak 2910 from cnoeabs.peaks (8.37, 0.90, 21.00 ppm; 3.36 A): 2 out of 8 assignments used, quality = 0.99: * H VAL 103 + QG2 VAL 103 OK 99 100 100 99 2.1-2.9 3.9=64, 2900/2.1=54...(13) H VAL 103 + QG1 VAL 103 OK 62 64 100 97 1.9-3.8 3.9=64, 2900/2.1=54...(11) H GLU 110 - QG1 VAL 103 far 0 55 0 - 6.1-14.7 H GLU 110 - QG2 VAL 103 far 0 94 0 - 8.3-17.2 H ALA 73 - QG2 VAL 103 far 0 100 0 - 8.4-9.5 H ALA 73 - QG1 VAL 103 far 0 62 0 - 8.6-10.5 H ILE 77 - QG1 VAL 103 far 0 46 0 - 9.7-11.3 H ILE 77 - QG2 VAL 103 far 0 82 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2911 from cnoeabs.peaks (4.39, 0.90, 21.00 ppm; 2.82 A): 2 out of 4 assignments used, quality = 0.98: * HA VAL 103 + QG2 VAL 103 OK 94 100 100 94 2.2-2.7 3.2=69, 2898/2.1=32...(15) HA VAL 103 + QG1 VAL 103 OK 60 64 100 94 2.3-3.2 3.2=69, 2899/2.1=33...(15) HA GLU 101 - QG2 VAL 103 far 0 70 0 - 5.1-5.4 HA GLU 101 - QG1 VAL 103 far 0 37 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (1.87, 0.90, 21.00 ppm; 2.64 A): 2 out of 9 assignments used, quality = 1.00: * HB VAL 103 + QG2 VAL 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 103 + QG1 VAL 103 OK 64 64 100 100 2.1-2.1 2.1=100 HB3 LEU 12 - QG2 VAL 103 far 0 100 0 - 4.1-5.6 HB3 LEU 12 - QG1 VAL 103 far 0 62 0 - 4.6-6.6 HB3 GLN 96 - QG1 VAL 103 far 0 63 0 - 7.5-8.8 HB3 GLN 96 - QG2 VAL 103 far 0 100 0 - 7.6-9.2 HB VAL 76 - QG1 VAL 103 far 0 49 0 - 8.0-9.6 HB VAL 76 - QG2 VAL 103 far 0 87 0 - 8.1-9.2 HB2 GLU 110 - QG1 VAL 103 far 0 52 0 - 8.2-17.0 Violated in 0 structures by 0.00 A. Peak 2913 from cnoeabs.peaks (0.87, 0.90, 21.00 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: QG2 VAL 103 + QG2 VAL 103 OK 87 87 - 100 QG1 VAL 103 + QG1 VAL 103 OK 64 64 - 100 Reference assignment not found: QG1 VAL 103 - QG2 VAL 103 Peak 2914 from cnoeabs.peaks (0.90, 0.90, 21.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 103 + QG2 VAL 103 OK 100 100 - 100 QG1 VAL 103 + QG1 VAL 103 OK 49 49 - 100 Peak 2915 from cnoeabs.peaks (5.25, 5.25, 57.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 104 + HA PHE 104 OK 100 100 - 100 Peak 2916 from cnoeabs.peaks (2.93, 5.25, 57.13 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 104 + HA PHE 104 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PHE 104 + HA PHE 104 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2917 from cnoeabs.peaks (2.94, 5.25, 57.13 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 104 + HA PHE 104 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 PHE 104 + HA PHE 104 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (7.17, 5.25, 57.13 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 104 + HA PHE 104 OK 100 100 100 100 2.8-3.2 3.7=100 HD1 TRP 16 - HA PHE 104 far 0 94 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (8.86, 5.25, 57.13 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.99: * H SER 105 + HA PHE 104 OK 99 100 100 99 2.1-2.3 7292=95, 3.0/10731=35...(9) H LEU 15 - HA PHE 104 far 0 79 0 - 5.5-5.8 H LYS 13 - HA PHE 104 far 0 99 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 2922 from cnoeabs.peaks (5.25, 2.93, 40.59 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 104 + HB2 PHE 104 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 104 + HB3 PHE 104 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2923 from cnoeabs.peaks (2.93, 2.93, 40.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 PHE 104 + HB2 PHE 104 OK 100 100 - 100 HB3 PHE 104 + HB3 PHE 104 OK 100 100 - 100 HB3 ASP 82 + HB3 ASP 82 OK 92 92 - 100 Peak 2924 from cnoeabs.peaks (2.94, 2.93, 40.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 PHE 104 + HB3 PHE 104 OK 100 100 - 100 HB2 PHE 104 + HB2 PHE 104 OK 100 100 - 100 HB3 ASP 82 + HB3 ASP 82 OK 93 93 - 100 Reference assignment not found: HB3 PHE 104 - HB2 PHE 104 Peak 2925 from cnoeabs.peaks (7.17, 2.93, 40.59 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: * QD PHE 104 + HB2 PHE 104 OK 100 100 100 100 2.3-2.5 2.5=100 QD PHE 104 + HB3 PHE 104 OK 100 100 100 100 2.3-2.4 2.5=100 HD21 ASN 85 - HB3 ASP 82 poor 19 53 45 82 4.2-6.6 10386/10382=45...(3) HD1 TRP 16 - HB3 PHE 104 far 0 94 0 - 6.0-8.1 HD1 TRP 16 - HB2 PHE 104 far 0 94 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (8.86, 2.93, 40.59 ppm; 4.79 A): 3 out of 7 assignments used, quality = 1.00: H SER 105 + HB3 PHE 104 OK 100 100 100 100 2.7-3.4 4.4=100 * H SER 105 + HB2 PHE 104 OK 100 100 100 100 3.8-4.2 4.4=100 H TRP 80 + HB3 ASP 82 OK 74 84 100 88 4.8-5.3 3.6/10370=64...(6) H LEU 15 - HB3 PHE 104 far 0 79 0 - 6.8-7.4 H LEU 15 - HB2 PHE 104 far 0 79 0 - 8.2-8.6 H LYS 13 - HB3 PHE 104 far 0 98 0 - 9.6-10.4 H LYS 13 - HB2 PHE 104 far 0 99 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2929 from cnoeabs.peaks (5.25, 2.94, 40.59 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 104 + HB3 PHE 104 OK 100 100 100 100 2.4-2.5 3.0=100 HA PHE 104 + HB2 PHE 104 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2930 from cnoeabs.peaks (2.93, 2.94, 40.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 PHE 104 + HB3 PHE 104 OK 100 100 - 100 HB2 PHE 104 + HB2 PHE 104 OK 100 100 - 100 HB3 ASP 82 + HB3 ASP 82 OK 93 93 - 100 Reference assignment not found: HB2 PHE 104 - HB3 PHE 104 Peak 2931 from cnoeabs.peaks (2.94, 2.94, 40.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PHE 104 + HB3 PHE 104 OK 100 100 - 100 HB2 PHE 104 + HB2 PHE 104 OK 100 100 - 100 HB3 ASP 82 + HB3 ASP 82 OK 94 94 - 100 Peak 2932 from cnoeabs.peaks (7.17, 2.94, 40.59 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: * QD PHE 104 + HB3 PHE 104 OK 100 100 100 100 2.3-2.4 2.5=100 QD PHE 104 + HB2 PHE 104 OK 100 100 100 100 2.3-2.5 2.5=100 HD21 ASN 85 - HB3 ASP 82 poor 20 53 45 82 4.2-6.6 10386/10382=45...(3) HD1 TRP 16 - HB3 PHE 104 far 0 94 0 - 6.0-8.1 HD1 TRP 16 - HB2 PHE 104 far 0 94 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (8.86, 2.94, 40.59 ppm; 4.79 A): 3 out of 7 assignments used, quality = 1.00: * H SER 105 + HB3 PHE 104 OK 100 100 100 100 2.7-3.4 4.4=100 H SER 105 + HB2 PHE 104 OK 100 100 100 100 3.8-4.2 4.4=100 H TRP 80 + HB3 ASP 82 OK 75 85 100 88 4.8-5.3 3.6/10370=65...(6) H LEU 15 - HB3 PHE 104 far 0 79 0 - 6.8-7.4 H LEU 15 - HB2 PHE 104 far 0 79 0 - 8.2-8.6 H LYS 13 - HB3 PHE 104 far 0 99 0 - 9.6-10.4 H LYS 13 - HB2 PHE 104 far 0 98 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (8.86, 4.67, 57.38 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * H SER 105 + HA SER 105 OK 100 100 100 100 2.7-2.9 3.0=100 H LEU 15 - HA SER 105 far 0 79 0 - 8.0-8.8 H LYS 13 - HA SER 105 far 0 99 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2937 from cnoeabs.peaks (4.67, 4.67, 57.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 105 + HA SER 105 OK 100 100 - 100 Peak 2938 from cnoeabs.peaks (3.81, 4.67, 57.38 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 105 + HA SER 105 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 105 + HA SER 105 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 SER 107 - HA SER 105 far 0 63 0 - 5.9-9.3 HB3 TRP 16 - HA SER 105 far 0 71 0 - 6.3-7.8 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (3.81, 4.67, 57.38 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 105 + HA SER 105 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 SER 105 + HA SER 105 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 107 - HA SER 105 far 0 65 0 - 5.9-9.3 HB3 TRP 16 - HA SER 105 far 0 70 0 - 6.3-7.8 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (8.66, 4.67, 57.38 ppm; 4.69 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 106 + HA SER 105 OK 100 100 100 100 2.1-2.5 3.6=100 H PHE 104 + HA SER 105 OK 59 61 100 97 4.7-5.1 3.0/10731=66...(6) Violated in 0 structures by 0.00 A. Peak 2941 from cnoeabs.peaks (8.86, 3.81, 64.55 ppm; 3.71 A): 2 out of 6 assignments used, quality = 1.00: H SER 105 + HB3 SER 105 OK 94 100 100 94 2.2-2.9 3.9=86, 2921/10730=20...(9) * H SER 105 + HB2 SER 105 OK 92 100 100 92 2.6-3.7 3.9=86, 4.6/2945=16...(8) H LEU 15 - HB3 SER 105 far 0 79 0 - 6.0-6.7 H LEU 15 - HB2 SER 105 far 0 79 0 - 6.7-8.2 H LYS 13 - HB2 SER 105 far 0 99 0 - 8.2-10.7 H LYS 13 - HB3 SER 105 far 0 98 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 2942 from cnoeabs.peaks (4.67, 3.81, 64.55 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 105 + HB2 SER 105 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 105 + HB3 SER 105 OK 100 100 100 100 2.5-3.0 3.0=100 HA ASN 108 - HB3 SER 105 far 0 93 0 - 5.2-10.4 HA ASN 108 - HB2 SER 105 far 0 93 0 - 6.4-10.4 Violated in 0 structures by 0.00 A. Peak 2943 from cnoeabs.peaks (3.81, 3.81, 64.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 105 + HB2 SER 105 OK 100 100 - 100 HB3 SER 105 + HB3 SER 105 OK 100 100 - 100 Peak 2944 from cnoeabs.peaks (3.81, 3.81, 64.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 105 + HB3 SER 105 OK 100 100 - 100 HB2 SER 105 + HB2 SER 105 OK 100 100 - 100 Reference assignment not found: HB3 SER 105 - HB2 SER 105 Peak 2945 from cnoeabs.peaks (8.66, 3.81, 64.55 ppm; 4.25 A increased from 4.00 A): 2 out of 4 assignments used, quality = 0.98: H GLY 106 + HB3 SER 105 OK 87 100 100 87 3.3-4.6 4.5=81, 4.6/2941=24...(4) * H GLY 106 + HB2 SER 105 OK 87 100 100 87 2.2-4.4 4.5=81, 4.6/2941=24 H PHE 104 - HB2 SER 105 far 0 61 0 - 5.0-7.2 H PHE 104 - HB3 SER 105 far 0 61 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 2946 from cnoeabs.peaks (8.86, 3.81, 64.55 ppm; 3.71 A): 2 out of 6 assignments used, quality = 1.00: * H SER 105 + HB3 SER 105 OK 94 100 100 94 2.2-2.9 3.9=86, 2921/10730=20...(9) H SER 105 + HB2 SER 105 OK 92 100 100 92 2.6-3.7 3.9=86, 4.6/2950=16...(8) H LEU 15 - HB3 SER 105 far 0 79 0 - 6.0-6.7 H LEU 15 - HB2 SER 105 far 0 79 0 - 6.7-8.2 H LYS 13 - HB2 SER 105 far 0 98 0 - 8.2-10.7 H LYS 13 - HB3 SER 105 far 0 99 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (4.67, 3.81, 64.55 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 105 + HB3 SER 105 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 105 + HB2 SER 105 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASN 108 - HB3 SER 105 far 0 93 0 - 5.2-10.4 HA ASN 108 - HB2 SER 105 far 0 93 0 - 6.4-10.4 Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (3.81, 3.81, 64.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 105 + HB3 SER 105 OK 100 100 - 100 HB2 SER 105 + HB2 SER 105 OK 100 100 - 100 Reference assignment not found: HB2 SER 105 - HB3 SER 105 Peak 2949 from cnoeabs.peaks (3.81, 3.81, 64.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 105 + HB3 SER 105 OK 100 100 - 100 HB2 SER 105 + HB2 SER 105 OK 100 100 - 100 Peak 2950 from cnoeabs.peaks (8.66, 3.81, 64.55 ppm; 4.25 A increased from 4.00 A): 2 out of 4 assignments used, quality = 0.98: * H GLY 106 + HB3 SER 105 OK 87 100 100 87 3.3-4.6 4.5=81, 4.6/2946=24...(4) H GLY 106 + HB2 SER 105 OK 87 100 100 87 2.2-4.4 4.5=81, 4.6/2946=24 H PHE 104 - HB2 SER 105 far 0 61 0 - 5.0-7.2 H PHE 104 - HB3 SER 105 far 0 61 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 2952 from cnoeabs.peaks (4.00, 4.00, 44.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 106 + HA2 GLY 106 OK 100 100 - 100 Peak 2956 from cnoeabs.peaks (4.00, 4.23, 44.81 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 106 + HA3 GLY 106 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 93 - HA3 GLY 106 far 0 100 0 - 6.9-9.8 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (4.23, 4.23, 44.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 106 + HA3 GLY 106 OK 100 100 - 100 Peak 2960 from cnoeabs.peaks (4.48, 4.48, 57.97 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA SER 107 + HA SER 107 OK 100 100 - 100 HA SER 4 + HA SER 4 OK 97 97 - 100 HA SER 9 + HA SER 9 OK 95 95 - 100 HA VAL 21 + HA VAL 21 OK 26 26 - 100 Peak 2961 from cnoeabs.peaks (3.89, 4.48, 57.97 ppm; 2.72 A): 2 out of 7 assignments used, quality = 0.94: * HB2 SER 107 + HA SER 107 OK 84 100 100 84 2.3-3.0 3.0=72, 1.8/2970=37...(4) HB3 SER 4 + HA SER 4 OK 61 82 100 74 2.3-3.0 3.0=73, ~2970=3 HA ILE 61 - HA SER 9 far 0 97 0 - 7.1-7.4 HD3 PRO 43 - HA VAL 21 far 0 31 0 - 7.4-7.7 HA GLN 81 - HA VAL 21 far 0 31 0 - 8.4-8.7 HA3 GLY 30 - HA SER 9 far 0 78 0 - 9.0-9.4 HA VAL 69 - HA SER 9 far 0 76 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 2962 from cnoeabs.peaks (3.85, 4.48, 57.97 ppm; 2.68 A): 2 out of 10 assignments used, quality = 0.94: * HB3 SER 107 + HA SER 107 OK 83 100 100 83 2.3-3.0 3.0=69, 1.8/2965=37...(4) HB3 SER 4 + HA SER 4 OK 65 92 100 70 2.3-3.0 3.0=70 HB2 SER 105 - HA SER 107 far 0 63 0 - 5.4-8.3 HB3 SER 105 - HA SER 107 far 0 65 0 - 6.6-8.9 HD3 PRO 43 - HA VAL 21 far 0 44 0 - 7.4-7.7 HA GLN 81 - HA VAL 21 far 0 44 0 - 8.4-8.7 HB3 SER 105 - HA VAL 21 far 0 25 0 - 9.6-10.3 HB2 SER 105 - HA VAL 21 far 0 24 0 - 9.7-11.5 HB3 SER 107 - HA VAL 21 far 0 48 0 - 9.7-20.1 HA VAL 69 - HA SER 9 far 0 93 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (4.48, 3.89, 63.96 ppm; 2.98 A): 2 out of 3 assignments used, quality = 0.99: * HA SER 107 + HB2 SER 107 OK 98 100 100 98 2.3-3.0 3.0=95, 2962/1.8=43...(4) HA SER 4 + HB3 SER 4 OK 47 48 100 96 2.3-3.0 3.0=96, ~2962=5, ~2961=5 HA TRP 60 - HB3 SER 4 far 0 34 0 - 9.0-16.9 Violated in 0 structures by 0.00 A. Peak 2966 from cnoeabs.peaks (3.89, 3.89, 63.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 107 + HB2 SER 107 OK 100 100 - 100 HB3 SER 4 + HB3 SER 4 OK 37 37 - 100 Peak 2967 from cnoeabs.peaks (3.85, 3.89, 63.96 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 107 + HB2 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 105 - HB2 SER 107 far 0 63 0 - 3.8-10.2 HB3 SER 105 - HB2 SER 107 far 0 65 0 - 4.5-10.8 Violated in 0 structures by 0.00 A. Peak 2970 from cnoeabs.peaks (4.48, 3.85, 63.96 ppm; 2.97 A): 2 out of 4 assignments used, quality = 0.99: * HA SER 107 + HB3 SER 107 OK 97 100 100 97 2.3-3.0 3.0=94, 2961/1.8=43...(4) HA SER 4 + HB3 SER 4 OK 54 56 100 96 2.3-3.0 3.0=95, ~2962=5, ~2961=5 HA TRP 60 - HB3 SER 4 far 0 40 0 - 9.0-16.9 HA VAL 21 - HB3 SER 107 far 0 68 0 - 9.7-20.1 Violated in 0 structures by 0.00 A. Peak 2971 from cnoeabs.peaks (3.89, 3.85, 63.96 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 107 + HB3 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (3.85, 3.85, 63.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 107 + HB3 SER 107 OK 100 100 - 100 HB3 SER 4 + HB3 SER 4 OK 52 52 - 100 Peak 2975 from cnoeabs.peaks (4.69, 4.69, 53.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 108 + HA ASN 108 OK 100 100 - 100 Peak 2976 from cnoeabs.peaks (2.78, 4.69, 53.02 ppm; 2.99 A): 1 out of 3 assignments used, quality = 0.97: * HB2 ASN 108 + HA ASN 108 OK 97 100 100 97 2.3-3.0 3.0=96, 10734/10736=22 HB2 ASP 18 - HA ASN 108 far 0 73 0 - 6.4-22.3 HB3 ASP 18 - HA ASN 108 far 0 68 0 - 8.1-23.9 Violated in 1 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (2.83, 4.69, 53.02 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 108 + HA ASN 108 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2980 from cnoeabs.peaks (8.13, 4.69, 53.02 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 109 + HA ASN 108 OK 100 100 100 100 2.4-3.6 3.6=100 H HIS 111 - HA ASN 108 far 5 99 5 - 4.5-10.4 Violated in 0 structures by 0.00 A. Peak 2982 from cnoeabs.peaks (4.69, 2.78, 38.41 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 108 + HB2 ASN 108 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 105 - HB2 ASN 108 far 0 93 0 - 5.0-12.5 HA TRP 16 - HB2 ASN 108 far 0 91 0 - 8.9-18.9 Violated in 0 structures by 0.00 A. Peak 2983 from cnoeabs.peaks (2.78, 2.78, 38.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 108 + HB2 ASN 108 OK 100 100 - 100 Peak 2984 from cnoeabs.peaks (2.83, 2.78, 38.41 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 108 + HB2 ASN 108 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2985 from cnoeabs.peaks (7.64, 2.78, 38.41 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 108 + HB2 ASN 108 OK 100 100 100 100 2.1-4.0 3.5=100 HE22 GLN 96 - HB2 ASN 108 far 0 100 0 - 8.7-18.7 HE21 GLN 19 - HB2 ASN 108 far 0 99 0 - 9.2-26.4 Violated in 0 structures by 0.00 A. Peak 2986 from cnoeabs.peaks (6.96, 2.78, 38.41 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 108 + HB2 ASN 108 OK 100 100 100 100 3.4-4.0 3.5=100 QE PHE 41 - HB2 ASN 108 far 0 98 0 - 8.2-18.0 HE22 GLN 19 - HB2 ASN 108 far 0 93 0 - 8.6-27.7 H LEU 17 - HB2 ASN 108 far 0 71 0 - 9.3-19.9 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (4.69, 2.83, 38.41 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 108 + HB3 ASN 108 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 105 - HB3 ASN 108 far 0 93 0 - 5.3-11.9 HA TRP 16 - HB3 ASN 108 far 0 91 0 - 8.8-19.2 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (2.78, 2.83, 38.41 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 108 + HB3 ASN 108 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 18 - HB3 ASN 108 far 0 73 0 - 8.7-24.0 Violated in 0 structures by 0.00 A. Peak 2991 from cnoeabs.peaks (2.83, 2.83, 38.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 108 + HB3 ASN 108 OK 100 100 - 100 Peak 2992 from cnoeabs.peaks (7.64, 2.83, 38.41 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 108 + HB3 ASN 108 OK 100 100 100 100 2.1-3.6 3.5=100 HE22 GLN 96 - HB3 ASN 108 far 0 100 0 - 9.4-18.2 Violated in 0 structures by 0.00 A. Peak 2993 from cnoeabs.peaks (6.96, 2.83, 38.41 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 108 + HB3 ASN 108 OK 100 100 100 100 2.2-4.1 3.5=100 QE PHE 41 - HB3 ASN 108 far 0 98 0 - 7.0-18.5 H LEU 17 - HB3 ASN 108 far 0 71 0 - 8.9-20.2 HE22 GLN 19 - HB3 ASN 108 far 0 93 0 - 9.9-28.6 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (8.13, 4.26, 55.02 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 109 + HA LEU 109 OK 100 100 100 100 2.8-2.9 3.0=100 H HIS 111 - HA LEU 109 poor 13 99 25 50 3.3-6.6 4.6/7357=45, 3011/2998=7 HE3 TRP 42 - HA ALA 47 far 0 35 0 - 5.4-5.7 H LYS 52 - HA ALA 47 far 0 35 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 2996 from cnoeabs.peaks (4.26, 4.26, 55.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 109 + HA LEU 109 OK 100 100 - 100 HA ALA 47 + HA ALA 47 OK 42 42 - 100 Peak 2997 from cnoeabs.peaks (1.48, 4.26, 55.02 ppm; 2.84 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 109 + HA LEU 109 OK 100 100 100 100 2.3-3.0 3.0=84, 1.8/2998=66...(19) QB ALA 45 - HA ALA 47 far 0 64 0 - 4.3-4.6 HB3 LEU 51 - HA ALA 47 far 0 65 0 - 4.9-5.8 HD3 LYS 13 - HA LEU 109 far 0 100 0 - 5.4-15.8 HD2 LYS 13 - HA LEU 109 far 0 100 0 - 5.6-15.6 HB ILE 77 - HA ALA 47 far 0 60 0 - 8.5-8.8 HG2 PRO 43 - HA ALA 47 far 0 66 0 - 9.9-10.5 Violated in 2 structures by 0.02 A. Peak 2998 from cnoeabs.peaks (1.55, 4.26, 55.02 ppm; 2.84 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LEU 109 + HA LEU 109 OK 99 100 100 99 2.4-2.6 3.0=84, 1.8/2997=66...(18) HG LEU 109 - HA LEU 109 far 5 92 5 - 2.5-4.3 QB ALA 73 - HA ALA 47 far 0 44 0 - 6.6-6.9 HG13 ILE 77 - HA ALA 47 far 0 58 0 - 7.5-7.8 HG2 ARG 44 - HA ALA 47 far 0 58 0 - 8.0-9.6 HG3 ARG 44 - HA ALA 47 far 0 60 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 2999 from cnoeabs.peaks (1.53, 4.26, 55.02 ppm; 2.84 A): 1 out of 6 assignments used, quality = 0.91: HB3 LEU 109 + HA LEU 109 OK 91 92 100 99 2.4-2.6 3.0=84, 1.8/2997=66...(18) ! HG LEU 109 - HA LEU 109 far 5 100 5 - 2.5-4.3 QB ALA 73 - HA ALA 47 far 0 64 0 - 6.6-6.9 HG13 ILE 77 - HA ALA 47 far 0 34 0 - 7.5-7.8 HG2 ARG 44 - HA ALA 47 far 0 34 0 - 8.0-9.6 HG3 ARG 44 - HA ALA 47 far 0 36 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (0.75, 4.26, 55.02 ppm; 2.70 A): 0 out of 5 assignments used, quality = 0.00: ! QD2 LEU 109 - HA LEU 109 far 10 100 10 - 2.1-3.4 QD1 ILE 23 - HA ALA 47 far 0 67 0 - 3.4-3.7 QD1 ILE 11 - HA LEU 109 far 0 98 0 - 6.5-17.1 HG2 LYS 52 - HA ALA 47 far 0 33 0 - 7.3-9.3 QG2 VAL 69 - HA ALA 47 far 0 50 0 - 9.6-9.9 Violated in 19 structures by 0.34 A. Peak 3001 from cnoeabs.peaks (0.84, 4.26, 55.02 ppm; 3.48 A increased from 3.28 A): 1 out of 11 assignments used, quality = 1.00: * QD1 LEU 109 + HA LEU 109 OK 100 100 100 100 3.3-3.7 3036=94, 3037/2997=71...(14) QD2 LEU 17 - HA LEU 109 far 15 100 15 - 2.6-16.3 QD1 LEU 17 - HA LEU 109 far 5 100 5 - 4.1-17.3 QG1 VAL 103 - HA LEU 109 far 0 77 0 - 4.2-13.1 QG2 ILE 23 - HA ALA 47 far 0 34 0 - 4.8-5.1 HG LEU 15 - HA LEU 109 far 0 100 0 - 4.9-14.3 QD1 LEU 51 - HA ALA 47 far 0 60 0 - 6.5-7.0 QD1 LEU 12 - HA ALA 47 far 0 66 0 - 7.3-7.5 QG2 ILE 11 - HA LEU 109 far 0 99 0 - 7.9-18.0 QG2 VAL 25 - HA ALA 47 far 0 66 0 - 8.0-8.3 QD1 LEU 17 - HA ALA 47 far 0 66 0 - 8.7-9.7 Violated in 1 structures by 0.01 A. Peak 3002 from cnoeabs.peaks (8.36, 4.26, 55.02 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 110 + HA LEU 109 OK 100 100 100 100 2.5-3.3 7357=100, 7358/2997=49...(8) H ASP 53 - HA ALA 47 far 0 45 0 - 7.8-8.4 H VAL 103 - HA LEU 109 far 0 94 0 - 9.4-18.9 H ILE 77 - HA ALA 47 far 0 64 0 - 9.7-9.9 Violated in 1 structures by 0.00 A. Peak 3003 from cnoeabs.peaks (8.13, 1.48, 42.04 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 109 + HB2 LEU 109 OK 100 100 100 100 2.6-3.6 4.0=100 H HIS 111 - HB2 LEU 109 far 15 99 15 - 4.0-7.6 Violated in 0 structures by 0.00 A. Peak 3004 from cnoeabs.peaks (4.26, 1.48, 42.04 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 109 + HB2 LEU 109 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 106 - HB2 LEU 109 far 4 84 5 - 3.8-11.8 Violated in 0 structures by 0.00 A. Peak 3005 from cnoeabs.peaks (1.48, 1.48, 42.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 109 + HB2 LEU 109 OK 100 100 - 100 Peak 3006 from cnoeabs.peaks (1.55, 1.48, 42.04 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 109 + HB2 LEU 109 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 109 + HB2 LEU 109 OK 86 92 100 93 2.5-2.9 3.0=52, 2.1/3037=46...(16) Violated in 0 structures by 0.00 A. Peak 3007 from cnoeabs.peaks (1.53, 1.48, 42.04 ppm; 2.40 A): 2 out of 2 assignments used, quality = 0.99: * HG LEU 109 + HB2 LEU 109 OK 94 100 100 94 2.5-2.9 3.0=52, 2.1/3037=46...(16) HB3 LEU 109 + HB2 LEU 109 OK 92 92 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (0.75, 1.48, 42.04 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 109 + HB2 LEU 109 OK 100 100 100 100 2.8-3.2 3.1=100 QD1 ILE 11 - HB2 LEU 109 far 0 98 0 - 7.7-18.8 Violated in 0 structures by 0.00 A. Peak 3009 from cnoeabs.peaks (0.84, 1.48, 42.04 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 109 + HB2 LEU 109 OK 100 100 100 100 2.0-2.1 3037=100, 2.1/3021=45...(15) QD2 LEU 17 - HB2 LEU 109 poor 20 100 20 - 2.5-17.2 QG1 VAL 103 - HB2 LEU 109 far 4 77 5 - 3.5-13.3 QD1 LEU 17 - HB2 LEU 109 far 0 100 0 - 4.6-17.6 HG LEU 15 - HB2 LEU 109 far 0 100 0 - 5.5-15.3 QG2 ILE 11 - HB2 LEU 109 far 0 99 0 - 8.3-18.9 Violated in 0 structures by 0.00 A. Peak 3010 from cnoeabs.peaks (8.36, 1.48, 42.04 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 110 + HB2 LEU 109 OK 100 100 100 100 3.3-3.5 4.2=100 H VAL 103 - HB2 LEU 109 far 0 94 0 - 8.3-18.9 Violated in 0 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (8.13, 1.55, 42.04 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 109 + HB3 LEU 109 OK 100 100 100 100 3.6-3.8 4.0=100 H HIS 111 - HB3 LEU 109 poor 14 99 35 41 2.4-6.2 4.6/7359=31, 2995/2998=8...(4) Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (4.26, 1.55, 42.04 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 109 + HB3 LEU 109 OK 100 100 100 100 2.4-2.6 3.0=100 HA3 GLY 106 - HB3 LEU 109 far 0 84 0 - 5.4-12.7 HA SER 38 - HB3 LEU 109 far 0 92 0 - 9.3-15.3 HA VAL 102 - HB3 LEU 109 far 0 94 0 - 9.4-21.6 Violated in 0 structures by 0.00 A. Peak 3013 from cnoeabs.peaks (1.48, 1.55, 42.04 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 109 + HB3 LEU 109 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 13 - HB3 LEU 109 far 0 100 0 - 4.0-16.4 HD3 LYS 13 - HB3 LEU 109 far 0 100 0 - 4.6-17.6 Violated in 0 structures by 0.00 A. Peak 3014 from cnoeabs.peaks (1.55, 1.55, 42.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 109 + HB3 LEU 109 OK 100 100 - 100 Peak 3015 from cnoeabs.peaks (1.53, 1.55, 42.04 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HB3 LEU 109 + HB3 LEU 109 OK 92 92 - 100 Reference assignment not found: HG LEU 109 - HB3 LEU 109 Peak 3016 from cnoeabs.peaks (0.75, 1.55, 42.04 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 109 + HB3 LEU 109 OK 100 100 100 100 2.1-2.6 3.1=100 QD1 ILE 11 - HB3 LEU 109 far 0 98 0 - 6.4-18.6 Violated in 0 structures by 0.00 A. Peak 3017 from cnoeabs.peaks (0.84, 1.55, 42.04 ppm; 3.31 A increased from 2.94 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 109 + HB3 LEU 109 OK 100 100 100 100 3.0-3.2 3.1=100 QD2 LEU 17 - HB3 LEU 109 far 10 100 10 - 2.2-17.3 QG1 VAL 103 - HB3 LEU 109 far 4 77 5 - 2.6-13.8 QD1 LEU 17 - HB3 LEU 109 far 0 100 0 - 4.3-18.0 HG LEU 15 - HB3 LEU 109 far 0 100 0 - 6.3-15.1 QG2 ILE 11 - HB3 LEU 109 far 0 99 0 - 7.0-18.8 QG2 VAL 102 - HB3 LEU 109 far 0 100 0 - 9.9-19.5 QD1 LEU 12 - HB3 LEU 109 far 0 100 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (8.36, 1.55, 42.04 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 110 + HB3 LEU 109 OK 100 100 100 100 2.0-4.3 4.2=100 H VAL 103 - HB3 LEU 109 far 0 94 0 - 7.3-19.4 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (8.13, 1.53, 26.70 ppm; 4.27 A increased from 4.02 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 109 + HG LEU 109 OK 100 100 100 100 2.5-4.2 7349/3.0=73, 5.0=61...(10) H HIS 111 - HG LEU 109 poor 7 99 25 27 3.1-8.6 4.6/3026=14, 3011/3.0=8 H LYS 52 - HG LEU 36 far 0 30 0 - 9.3-9.7 H LYS 52 - HG LEU 12 far 0 62 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (4.26, 1.53, 26.70 ppm; 4.09 A increased from 3.44 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 109 + HG LEU 109 OK 100 100 100 100 2.5-4.3 3.7=100 HA VAL 102 + HG LEU 12 OK 91 93 100 99 3.8-4.3 11265/3.0=42, ~10212=39...(18) HA3 GLY 106 - HG LEU 109 far 0 84 0 - 4.7-13.6 HA ALA 24 - HG LEU 12 far 0 99 0 - 5.5-6.1 HA ALA 24 - HG LEU 36 far 0 58 0 - 8.1-8.4 HA SER 38 - HG LEU 36 far 0 49 0 - 8.3-8.5 HA VAL 102 - HG LEU 109 far 0 94 0 - 8.8-21.9 HB THR 74 - HG LEU 12 far 0 70 0 - 9.4-9.6 HA SER 38 - HG LEU 109 far 0 92 0 - 9.4-17.6 HA ILE 28 - HG LEU 36 far 0 57 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3021 from cnoeabs.peaks (1.48, 1.53, 26.70 ppm; 2.70 A increased from 2.40 A): 2 out of 12 assignments used, quality = 0.99: * HB2 LEU 109 + HG LEU 109 OK 98 100 100 98 2.5-2.9 3.0=74, 3037/2.1=58...(17) HB2 LEU 36 + HG LEU 36 OK 48 50 100 97 3.0-3.0 3.0=74, 1059/2.1=46...(12) HD2 LYS 13 - HG LEU 109 far 0 100 0 - 4.9-18.3 HG3 LYS 58 - HG LEU 36 far 0 56 0 - 5.2-5.7 HD3 LYS 13 - HG LEU 109 far 0 100 0 - 5.8-19.4 HD2 LYS 13 - HG LEU 12 far 0 100 0 - 6.0-7.7 QB ALA 57 - HG LEU 36 far 0 32 0 - 6.3-6.7 HD3 LYS 13 - HG LEU 12 far 0 100 0 - 6.9-7.8 HB3 LEU 51 - HG LEU 12 far 0 99 0 - 7.2-8.4 HB3 LEU 51 - HG LEU 36 far 0 58 0 - 8.5-9.6 HB ILE 77 - HG LEU 12 far 0 94 0 - 8.8-9.1 HD3 LYS 13 - HG LEU 36 far 0 59 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 3022 from cnoeabs.peaks (1.55, 1.53, 26.70 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: HG LEU 109 + HG LEU 109 OK 92 92 - 100 HG LEU 12 + HG LEU 12 OK 81 81 - 100 HG LEU 36 + HG LEU 36 OK 56 56 - 100 Reference assignment not found: HB3 LEU 109 - HG LEU 109 Peak 3023 from cnoeabs.peaks (1.53, 1.53, 26.70 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 109 + HG LEU 109 OK 100 100 - 100 HG LEU 12 + HG LEU 12 OK 99 99 - 100 HG LEU 36 + HG LEU 36 OK 37 37 - 100 Peak 3024 from cnoeabs.peaks (0.75, 1.53, 26.70 ppm; 2.79 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 109 + HG LEU 109 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 36 + HG LEU 36 OK 32 32 100 100 2.1-2.1 2.1=100 QD1 ILE 23 - HG LEU 12 far 0 100 0 - 5.0-5.3 HB3 LEU 55 - HG LEU 36 far 0 53 0 - 5.0-5.4 QG2 VAL 69 - HG LEU 12 far 0 84 0 - 6.1-6.5 QG2 VAL 69 - HG LEU 36 far 0 44 0 - 6.5-6.7 QD1 ILE 11 - HG LEU 109 far 0 98 0 - 6.6-20.2 QD1 ILE 11 - HG LEU 36 far 0 55 0 - 7.1-9.1 QD1 ILE 11 - HG LEU 12 far 0 97 0 - 7.1-7.6 QG2 VAL 29 - HG LEU 36 far 0 40 0 - 8.0-8.2 QD2 LEU 36 - HG LEU 12 far 0 64 0 - 8.9-9.2 QD2 LEU 109 - HG LEU 12 far 0 100 0 - 9.3-17.2 QD1 ILE 23 - HG LEU 36 far 0 59 0 - 9.7-10.1 QG2 VAL 29 - HG LEU 109 far 0 79 0 - 10.0-24.5 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (0.84, 1.53, 26.70 ppm; 2.65 A): 2 out of 22 assignments used, quality = 1.00: * QD1 LEU 109 + HG LEU 109 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 12 + HG LEU 12 OK 99 99 100 100 2.1-2.1 2.1=100 QG1 VAL 103 - HG LEU 109 far 4 77 5 - 2.3-14.9 QD2 LEU 17 - HG LEU 109 far 0 100 0 - 3.3-18.0 QG2 VAL 102 - HG LEU 12 far 0 100 0 - 3.8-4.2 QG2 VAL 25 - HG LEU 12 far 0 99 0 - 3.9-4.1 HG LEU 15 - HG LEU 109 far 0 100 0 - 4.3-16.1 QG2 ILE 23 - HG LEU 12 far 0 60 0 - 4.4-4.8 QG1 VAL 103 - HG LEU 12 far 0 76 0 - 4.5-6.3 QD1 LEU 51 - HG LEU 36 far 0 52 0 - 4.9-5.2 QD1 LEU 17 - HG LEU 109 far 0 100 0 - 5.0-19.0 QG2 ILE 11 - HG LEU 12 far 0 98 0 - 5.6-5.7 QD1 LEU 51 - HG LEU 12 far 0 94 0 - 5.8-6.1 QG2 VAL 25 - HG LEU 36 far 0 58 0 - 5.9-6.2 QG2 ILE 11 - HG LEU 109 far 0 99 0 - 6.6-20.5 QD1 LEU 12 - HG LEU 36 far 0 58 0 - 8.6-9.0 QG2 VAL 6 - HG LEU 36 far 0 59 0 - 9.3-11.1 QG2 VAL 102 - HG LEU 109 far 0 100 0 - 9.4-18.8 QG2 ILE 11 - HG LEU 36 far 0 56 0 - 9.7-9.9 QG2 ILE 23 - HG LEU 109 far 0 61 0 - 9.8-19.2 HG LEU 15 - HG LEU 12 far 0 100 0 - 9.8-10.6 QG1 VAL 6 - HG LEU 36 far 0 59 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 3026 from cnoeabs.peaks (8.36, 1.53, 26.70 ppm; 5.05 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 110 + HG LEU 109 OK 100 100 100 100 4.0-5.6 7358/3.0=90, 7357/3.7=86...(8) H ALA 73 + HG LEU 12 OK 84 84 100 100 5.4-5.5 8488/2.1=85, 8487/2.1=84...(15) H VAL 103 + HG LEU 12 OK 72 93 100 77 3.7-4.5 7288/3.0=38, 3.5/3020=36...(4) H VAL 103 - HG LEU 109 far 0 94 0 - 7.0-20.0 H ILE 77 - HG LEU 12 far 0 98 0 - 7.3-7.6 H ASP 53 - HG LEU 36 far 0 40 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 3028 from cnoeabs.peaks (4.26, 0.75, 23.00 ppm; 3.46 A increased from 2.91 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 109 + QD2 LEU 109 OK 100 100 100 100 2.1-3.4 3001/2.1=66, 4.0=66...(14) HA3 GLY 106 - QD2 LEU 109 far 0 84 0 - 5.1-11.0 HA SER 38 - QD2 LEU 109 far 0 92 0 - 7.1-14.7 HA ILE 28 - QD2 LEU 109 far 0 99 0 - 8.3-21.6 HA VAL 102 - QD2 LEU 109 far 0 94 0 - 8.4-17.7 Violated in 0 structures by 0.00 A. Peak 3029 from cnoeabs.peaks (1.48, 0.75, 23.00 ppm; 3.26 A increased from 2.90 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 109 + QD2 LEU 109 OK 100 100 100 100 2.8-3.2 3.1=100 HD2 LYS 13 - QD2 LEU 109 far 0 100 0 - 4.5-14.6 HD3 LYS 13 - QD2 LEU 109 far 0 100 0 - 4.6-15.3 QB ALA 45 - QD2 LEU 109 far 0 99 0 - 9.8-20.2 HB2 LEU 36 - QD2 LEU 109 far 0 93 0 - 9.9-19.2 Violated in 0 structures by 0.00 A. Peak 3030 from cnoeabs.peaks (1.55, 0.75, 23.00 ppm; 2.75 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 109 + QD2 LEU 109 OK 97 100 100 97 2.1-2.6 3.1=68, 2998/3028=35...(14) HG LEU 109 + QD2 LEU 109 OK 92 92 100 100 2.1-2.1 2.1=100 HG3 ARG 44 - QD2 LEU 109 far 0 96 0 - 8.2-25.3 HG2 ARG 44 - QD2 LEU 109 far 0 94 0 - 8.9-24.1 HG LEU 12 - QD2 LEU 109 far 0 82 0 - 9.3-17.2 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (1.53, 0.75, 23.00 ppm; 2.75 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 109 + QD2 LEU 109 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 109 + QD2 LEU 109 OK 90 92 100 97 2.1-2.6 3.1=68, 2999/3028=35...(14) HG3 ARG 44 - QD2 LEU 109 far 0 65 0 - 8.2-25.3 HG2 ARG 44 - QD2 LEU 109 far 0 61 0 - 8.9-24.1 HG LEU 12 - QD2 LEU 109 far 0 100 0 - 9.3-17.2 Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (0.75, 0.75, 23.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 109 + QD2 LEU 109 OK 100 100 - 100 Peak 3033 from cnoeabs.peaks (0.84, 0.75, 23.00 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 109 + QD2 LEU 109 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 17 - QD2 LEU 109 far 5 100 5 - 2.4-16.1 QG1 VAL 103 - QD2 LEU 109 far 4 77 5 - 2.8-12.2 QD1 LEU 17 - QD2 LEU 109 far 0 100 0 - 3.5-16.8 HG LEU 15 - QD2 LEU 109 far 0 100 0 - 4.6-14.6 QG2 ILE 11 - QD2 LEU 109 far 0 99 0 - 5.5-16.3 QG2 ILE 23 - QD2 LEU 109 far 0 61 0 - 8.8-16.7 QG2 VAL 102 - QD2 LEU 109 far 0 100 0 - 8.9-15.8 QG2 VAL 25 - QD2 LEU 109 far 0 100 0 - 9.3-15.2 QD1 LEU 12 - QD2 LEU 109 far 0 100 0 - 9.4-15.6 Violated in 0 structures by 0.00 A. Peak 3035 from cnoeabs.peaks (8.13, 0.84, 24.66 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 109 + QD1 LEU 109 OK 100 100 100 100 1.8-2.5 4.7=100 H HIS 111 - QD1 LEU 109 poor 20 99 20 - 4.3-7.5 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (4.26, 0.84, 24.66 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 109 + QD1 LEU 109 OK 100 100 100 100 3.3-3.7 3001=100, 2997/3037=73...(14) HA3 GLY 106 - QD1 LEU 109 far 4 84 5 - 2.3-10.2 HA SER 38 - QD1 LEU 109 far 0 92 0 - 7.7-14.3 HA ILE 28 - QD1 LEU 109 far 0 99 0 - 9.0-22.8 HA VAL 102 - QD1 LEU 109 far 0 94 0 - 9.2-17.8 Violated in 1 structures by 0.01 A. Peak 3037 from cnoeabs.peaks (1.48, 0.84, 24.66 ppm; 2.67 A): 1 out of 3 assignments used, quality = 0.97: * HB2 LEU 109 + QD1 LEU 109 OK 97 100 100 97 2.0-2.1 3009=75, 3021/2.1=38...(15) HD2 LYS 13 - QD1 LEU 109 far 0 100 0 - 6.0-15.0 HD3 LYS 13 - QD1 LEU 109 far 0 100 0 - 6.6-15.9 Violated in 0 structures by 0.00 A. Peak 3038 from cnoeabs.peaks (1.55, 0.84, 24.66 ppm; 2.51 A): 1 out of 2 assignments used, quality = 0.92: HG LEU 109 + QD1 LEU 109 OK 92 92 100 100 2.1-2.1 2.1=100 ! HB3 LEU 109 - QD1 LEU 109 far 5 100 5 - 3.0-3.2 Violated in 0 structures by 0.00 A. Peak 3039 from cnoeabs.peaks (1.53, 0.84, 24.66 ppm; 2.51 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 109 + QD1 LEU 109 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 109 - QD1 LEU 109 far 5 92 5 - 3.0-3.2 Violated in 0 structures by 0.00 A. Peak 3040 from cnoeabs.peaks (0.75, 0.84, 24.66 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 109 + QD1 LEU 109 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 ILE 11 - QD1 LEU 109 far 0 98 0 - 6.9-16.6 QG2 VAL 29 - QD1 LEU 109 far 0 79 0 - 8.2-20.5 QG1 VAL 29 - QD1 LEU 109 far 0 100 0 - 8.5-21.9 QG2 ILE 28 - QD1 LEU 109 far 0 81 0 - 8.9-20.7 Violated in 0 structures by 0.00 A. Peak 3041 from cnoeabs.peaks (0.84, 0.84, 24.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 109 + QD1 LEU 109 OK 100 100 - 100 Peak 3042 from cnoeabs.peaks (8.36, 0.84, 24.66 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 110 + QD1 LEU 109 OK 100 100 100 100 3.8-4.7 7358/3037=98...(7) H VAL 103 - QD1 LEU 109 far 0 94 0 - 7.7-16.2 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (8.36, 4.13, 56.71 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 110 + HA GLU 110 OK 100 100 100 100 2.3-2.9 2.9=100 H ASP 53 + HA ASP 53 OK 39 39 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 3044 from cnoeabs.peaks (4.13, 4.13, 56.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 110 + HA GLU 110 OK 100 100 - 100 HA ASP 53 + HA ASP 53 OK 43 43 - 100 Peak 3045 from cnoeabs.peaks (1.89, 4.13, 56.71 ppm; 2.79 A): 2 out of 6 assignments used, quality = 0.99: * HB2 GLU 110 + HA GLU 110 OK 98 100 100 98 2.4-3.0 3.0=82, 3066/3065=38...(16) HB2 GLU 56 + HA ASP 53 OK 35 48 100 72 2.2-2.5 1.8/1718=25, 1710=24...(6) HG3 GLU 56 - HA ASP 53 poor 16 57 40 72 3.3-4.7 3.0/1710=22...(8) HB2 LEU 17 - HA GLU 110 far 0 73 0 - 8.4-23.1 HG3 PRO 35 - HA GLU 110 far 0 99 0 - 8.4-21.4 HB VAL 103 - HA GLU 110 far 0 91 0 - 8.9-19.2 Violated in 0 structures by 0.00 A. Peak 3046 from cnoeabs.peaks (1.83, 4.13, 56.71 ppm; 3.04 A increased from 2.86 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 110 + HA GLU 110 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 56 - HA ASP 53 far 0 58 0 - 3.8-4.2 HB2 LEU 17 - HA GLU 110 far 0 77 0 - 8.4-23.1 Violated in 0 structures by 0.00 A. Peak 3047 from cnoeabs.peaks (2.17, 4.13, 56.71 ppm; 3.48 A increased from 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 110 + HA GLU 110 OK 100 100 100 100 2.1-3.5 3065=100, 1.8/3048=77...(12) HB3 GLU 54 - HA ASP 53 far 0 46 0 - 5.5-5.6 HB2 PRO 35 - HA GLU 110 far 0 94 0 - 7.7-19.0 Violated in 1 structures by 0.00 A. Peak 3048 from cnoeabs.peaks (2.09, 4.13, 56.71 ppm; 3.31 A increased from 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 110 + HA GLU 110 OK 100 100 100 100 2.5-3.2 3072=97, 1.8/3065=69...(12) HG2 PRO 35 - HA GLU 110 far 0 77 0 - 6.8-20.0 HB2 GLN 49 - HA ASP 53 far 0 34 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 3049 from cnoeabs.peaks (8.13, 4.13, 56.71 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 111 + HA GLU 110 OK 100 100 100 100 2.2-3.6 3.6=100 H LEU 109 - HA GLU 110 far 5 99 5 - 4.6-6.1 Violated in 0 structures by 0.00 A. Peak 3050 from cnoeabs.peaks (8.36, 1.89, 29.77 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 110 + HB2 GLU 110 OK 100 100 100 100 2.2-4.0 3.6=100 Violated in 3 structures by 0.02 A. Peak 3051 from cnoeabs.peaks (4.13, 1.89, 29.77 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 110 + HB2 GLU 110 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3052 from cnoeabs.peaks (1.89, 1.89, 29.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 110 + HB2 GLU 110 OK 100 100 - 100 Peak 3053 from cnoeabs.peaks (1.83, 1.89, 29.77 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 110 + HB2 GLU 110 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 29 - HB2 GLU 110 far 0 96 0 - 9.1-29.2 HB2 LEU 17 - HB2 GLU 110 far 0 77 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (2.17, 1.89, 29.77 ppm; 3.00 A): 1 out of 2 assignments used, quality = 0.99: * HG2 GLU 110 + HB2 GLU 110 OK 99 100 100 99 2.2-2.7 3.0=99 HB2 PRO 35 - HB2 GLU 110 far 0 94 0 - 7.5-20.7 Violated in 0 structures by 0.00 A. Peak 3055 from cnoeabs.peaks (2.09, 1.89, 29.77 ppm; 2.99 A increased from 2.81 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 110 + HB2 GLU 110 OK 100 100 100 100 2.8-3.0 3.0=98, 1.8/3066=75...(11) HG2 PRO 35 - HB2 GLU 110 far 0 77 0 - 6.2-21.4 Violated in 1 structures by 0.00 A. Peak 3056 from cnoeabs.peaks (8.13, 1.89, 29.77 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 111 + HB2 GLU 110 OK 100 100 100 100 2.1-4.5 4.7=100 H LEU 109 - HB2 GLU 110 far 5 99 5 - 5.3-7.7 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (8.36, 1.83, 29.77 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 110 + HB3 GLU 110 OK 100 100 100 100 2.1-3.5 7365=100, 3071/3074=47...(10) H GLN 89 - HB3 GLN 86 far 0 72 0 - 5.0-6.5 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (4.13, 1.83, 29.77 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 110 + HB3 GLU 110 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (1.89, 1.83, 29.77 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 110 + HB3 GLU 110 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 35 - HB3 GLU 110 far 0 99 0 - 6.8-21.5 HB2 GLN 89 - HB3 GLN 86 far 0 72 0 - 8.3-9.6 HB2 LEU 17 - HB3 GLU 110 far 0 73 0 - 8.5-23.4 HB3 ARG 44 - HB3 GLU 110 far 0 100 0 - 9.7-26.0 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (1.83, 1.83, 29.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 110 + HB3 GLU 110 OK 100 100 - 100 HB3 GLN 86 + HB3 GLN 86 OK 99 99 - 100 Peak 3061 from cnoeabs.peaks (2.17, 1.83, 29.77 ppm; 3.05 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 110 + HB3 GLU 110 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 PRO 35 - HB3 GLU 110 far 0 94 0 - 6.4-19.5 HG12 ILE 90 - HB3 GLN 86 far 0 75 0 - 6.9-8.2 HG3 GLN 27 - HB3 GLU 110 far 0 93 0 - 9.0-26.4 Violated in 0 structures by 0.00 A. Peak 3062 from cnoeabs.peaks (2.09, 1.83, 29.77 ppm; 2.99 A increased from 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 110 + HB3 GLU 110 OK 100 100 100 100 2.2-2.9 3074=100, 3055/1.8=68...(11) HG2 PRO 35 - HB3 GLU 110 far 0 77 0 - 5.5-20.1 Violated in 0 structures by 0.00 A. Peak 3064 from cnoeabs.peaks (8.36, 2.17, 36.11 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 110 + HG2 GLU 110 OK 100 100 100 100 3.7-4.1 7366=80, 3071/1.8=80...(8) Violated in 0 structures by 0.00 A. Peak 3065 from cnoeabs.peaks (4.13, 2.17, 36.11 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 110 + HG2 GLU 110 OK 100 100 100 100 2.1-3.5 3047=90, 3048/1.8=72...(12) Violated in 1 structures by 0.01 A. Peak 3066 from cnoeabs.peaks (1.89, 2.17, 36.11 ppm; 2.74 A increased from 2.58 A): 1 out of 5 assignments used, quality = 0.99: * HB2 GLU 110 + HG2 GLU 110 OK 99 100 100 99 2.2-2.7 3054=76, 3055/1.8=57...(11) HB2 LEU 17 - HG2 GLU 110 far 0 73 0 - 8.2-25.3 HG3 PRO 35 - HG2 GLU 110 far 0 99 0 - 9.4-22.9 HB3 ARG 44 - HG2 GLU 110 far 0 100 0 - 9.5-28.5 HB VAL 103 - HG2 GLU 110 far 0 91 0 - 9.8-21.7 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (1.83, 2.17, 36.11 ppm; 3.06 A increased from 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 110 + HG2 GLU 110 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 LEU 17 - HG2 GLU 110 far 0 77 0 - 8.2-25.3 HB VAL 29 - HG2 GLU 110 far 0 96 0 - 9.2-28.9 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (2.17, 2.17, 36.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 110 + HG2 GLU 110 OK 100 100 - 100 Peak 3069 from cnoeabs.peaks (2.09, 2.17, 36.11 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 110 + HG2 GLU 110 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 35 - HG2 GLU 110 far 0 77 0 - 8.1-21.4 Violated in 0 structures by 0.00 A. Peak 3071 from cnoeabs.peaks (8.36, 2.09, 36.11 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 110 + HG3 GLU 110 OK 100 100 100 100 2.4-4.5 7367=94, 2.9/3048=75...(8) Violated in 1 structures by 0.02 A. Peak 3072 from cnoeabs.peaks (4.13, 2.09, 36.11 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 110 + HG3 GLU 110 OK 100 100 100 100 2.5-3.2 3048=100, 3065/1.8=71...(12) Violated in 0 structures by 0.00 A. Peak 3073 from cnoeabs.peaks (1.89, 2.09, 36.11 ppm; 3.12 A increased from 2.77 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 110 + HG3 GLU 110 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 LEU 17 - HG3 GLU 110 far 0 73 0 - 7.2-23.8 HG3 PRO 35 - HG3 GLU 110 far 0 99 0 - 9.6-21.2 Violated in 0 structures by 0.00 A. Peak 3074 from cnoeabs.peaks (1.83, 2.09, 36.11 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 110 + HG3 GLU 110 OK 100 100 100 100 2.2-2.9 3062=99, 1.8/3055=67...(11) HB2 LEU 17 - HG3 GLU 110 far 0 77 0 - 7.2-23.8 Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (2.17, 2.09, 36.11 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 110 + HG3 GLU 110 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 35 - HG3 GLU 110 far 0 94 0 - 8.8-19.1 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (2.09, 2.09, 36.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 110 + HG3 GLU 110 OK 100 100 - 100 Peak 3139 from cnoeabs.peaks (4.53, 4.53, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.55: HA GLN 19 + HA GLN 19 OK 55 55 - 100 Peak 3141 from cnoeabs.peaks (2.95, 4.53, 55.95 ppm; 2.50 A): 0 out of 2 assignments used, quality = 0.00: HD2 ARG 44 - HA GLN 19 far 0 69 0 - 8.5-12.6 HD3 ARG 44 - HA GLN 19 far 0 68 0 - 8.8-13.3 Violated in 20 structures by 6.89 A. Peak 3142 from cnoeabs.peaks (7.87, 4.53, 55.95 ppm; 3.18 A): 0 out of 0 assignments used, quality = 0.00: Peak 3145 from cnoeabs.peaks (2.90, 2.90, 30.74 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 3146 from cnoeabs.peaks (2.95, 2.90, 30.74 ppm; 2.40 A): 0 out of 0 assignments used, quality = 0.00: Peak 3150 from cnoeabs.peaks (2.90, 2.95, 30.74 ppm; 2.40 A): 0 out of 0 assignments used, quality = 0.00: Peak 3151 from cnoeabs.peaks (2.95, 2.95, 30.74 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 3153 from cnoeabs.peaks (7.87, 4.34, 57.25 ppm; 3.62 A): 0 out of 0 assignments used, quality = 0.00: Peak 3154 from cnoeabs.peaks (4.34, 4.34, 57.25 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 3155 from cnoeabs.peaks (3.07, 4.34, 57.25 ppm; 2.66 A): 0 out of 0 assignments used, quality = 0.00: Peak 3156 from cnoeabs.peaks (2.95, 4.34, 57.25 ppm; 2.83 A): 0 out of 0 assignments used, quality = 0.00: Peak 3157 from cnoeabs.peaks (7.87, 3.07, 30.69 ppm; 4.42 A): 0 out of 0 assignments used, quality = 0.00: Peak 3158 from cnoeabs.peaks (4.34, 3.07, 30.69 ppm; 2.90 A): 0 out of 4 assignments used, quality = 0.00: HA THR 5 - HB3 HIS 7 far 0 73 0 - 5.2-8.0 HA THR 5 - HB2 HIS 7 far 0 78 0 - 6.9-9.3 HA ALA 3 - HB3 HIS 7 far 0 72 0 - 9.2-12.6 HA LYS 31 - HB2 HIS 7 far 0 59 0 - 9.4-10.9 Violated in 20 structures by 3.59 A. Peak 3159 from cnoeabs.peaks (3.07, 3.07, 30.69 ppm; diagonal): 2 out of 2 assignments used, quality = 0.75: HB2 HIS 7 + HB2 HIS 7 OK 55 55 - 100 HB3 HIS 7 + HB3 HIS 7 OK 46 46 - 100 Peak 3160 from cnoeabs.peaks (2.95, 3.07, 30.69 ppm; 2.40 A): 0 out of 0 assignments used, quality = 0.00: Peak 3162 from cnoeabs.peaks (4.34, 2.95, 30.69 ppm; 3.03 A): 0 out of 0 assignments used, quality = 0.00: Peak 3163 from cnoeabs.peaks (3.07, 2.95, 30.69 ppm; 2.40 A): 0 out of 0 assignments used, quality = 0.00: Peak 3164 from cnoeabs.peaks (2.95, 2.95, 30.69 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 3205 from cnoeabs.peaks (7.66, 3.81, 57.36 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 84 + HA LYS 84 OK 100 100 100 100 2.8-2.9 2.9=100 HE21 GLN 19 - HA LYS 84 far 0 82 0 - 8.2-11.2 QD PHE 79 - HA LYS 84 far 0 81 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 3206 from cnoeabs.peaks (3.81, 3.81, 57.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 84 + HA LYS 84 OK 100 100 - 100 Peak 3207 from cnoeabs.peaks (0.84, 3.81, 57.36 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 84 + HA LYS 84 OK 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 3208 from cnoeabs.peaks (1.52, 3.81, 57.36 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 84 + HA LYS 84 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 83 - HA LYS 84 poor 15 59 25 - 4.1-4.8 HD2 LYS 88 - HA LYS 84 far 0 100 0 - 8.0-9.0 HD3 LYS 88 - HA LYS 84 far 0 100 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (1.21, 3.81, 57.36 ppm; 3.78 A increased from 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 84 + HA LYS 84 OK 100 100 100 100 2.2-3.9 4.0=85, 1.8/3250=56...(21) HD2 LYS 84 + HA LYS 84 OK 59 100 60 99 2.0-4.9 3.0/3294=44, 2.9/3250=44...(19) HB2 LEU 83 - HA LYS 84 far 7 73 10 - 4.2-4.8 HG2 LYS 88 - HA LYS 84 far 0 99 0 - 6.0-8.5 Violated in 0 structures by 0.00 A. Peak 3210 from cnoeabs.peaks (1.38, 3.81, 57.36 ppm; 3.66 A increased from 3.44 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 84 + HA LYS 84 OK 99 100 100 99 2.1-3.9 4.0=78, 1.8/3209=44...(23) HD3 LYS 84 + HA LYS 84 OK 49 100 50 99 2.2-4.9 2.9/3250=41, 3.0/3294=41...(17) HG LEU 83 - HA LYS 84 far 0 87 0 - 6.2-6.5 HB2 LYS 88 - HA LYS 84 far 0 96 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 3211 from cnoeabs.peaks (1.20, 3.81, 57.36 ppm; 3.84 A increased from 3.62 A): 2 out of 4 assignments used, quality = 1.00: HG2 LYS 84 + HA LYS 84 OK 100 100 100 100 2.2-3.9 4.0=90, 1.8/3250=58...(21) * HD2 LYS 84 + HA LYS 84 OK 69 100 70 99 2.0-4.9 3.0/3294=46, 2.9/3250=45...(19) HB2 LEU 83 - HA LYS 84 far 6 63 10 - 4.2-4.8 HG2 LYS 88 - HA LYS 84 far 0 100 0 - 6.0-8.5 Violated in 0 structures by 0.00 A. Peak 3212 from cnoeabs.peaks (1.37, 3.81, 57.36 ppm; 3.66 A increased from 3.44 A): 2 out of 4 assignments used, quality = 1.00: HG3 LYS 84 + HA LYS 84 OK 99 100 100 99 2.1-3.9 4.0=78, 1.8/3209=44...(23) * HD3 LYS 84 + HA LYS 84 OK 49 100 50 99 2.2-4.9 2.9/3250=41, 3.0/3294=41...(17) HG LEU 83 - HA LYS 84 far 0 92 0 - 6.2-6.5 HB2 LYS 88 - HA LYS 84 far 0 92 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 3213 from cnoeabs.peaks (2.69, 3.81, 57.36 ppm; 5.31 A increased from 5.00 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 84 + HA LYS 84 OK 100 100 100 100 3.2-5.1 1.8/3294=95, ~3295=75...(18) HB2 ASN 87 - HA LYS 84 far 0 100 0 - 6.3-6.7 HB2 ASP 82 - HA LYS 84 far 0 95 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (2.80, 3.81, 57.36 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 84 + HA LYS 84 OK 100 100 100 100 2.9-4.6 3294=100, 3295/3.0=92...(18) HG2 GLN 81 - HA LYS 84 far 0 93 0 - 6.2-8.8 Violated in 0 structures by 0.00 A. Peak 3215 from cnoeabs.peaks (8.77, 3.81, 57.36 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 85 + HA LYS 84 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 90 - HA LYS 84 far 0 92 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 3216 from cnoeabs.peaks (7.66, 0.84, 30.09 ppm; 6.00 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 84 + HB2 LYS 84 OK 100 100 100 100 2.2-3.6 4.0=100 HE21 GLN 19 - HB2 LYS 84 far 0 82 0 - 8.4-11.0 QD PHE 79 - HB2 LYS 84 far 0 81 0 - 8.8-10.5 HD21 ASN 20 - HB2 LYS 84 far 0 87 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 3217 from cnoeabs.peaks (3.81, 0.84, 30.09 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 84 + HB2 LYS 84 OK 100 100 100 100 2.3-2.7 3.0=100 HA TRP 80 - HB2 LYS 84 far 0 70 0 - 6.3-8.5 Violated in 0 structures by 0.00 A. Peak 3218 from cnoeabs.peaks (0.84, 0.84, 30.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 84 + HB2 LYS 84 OK 100 100 - 100 Peak 3219 from cnoeabs.peaks (1.52, 0.84, 30.09 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 84 + HB2 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 83 + HB2 LYS 84 OK 23 59 60 64 4.3-6.8 4.2/9470=49...(3) HD2 LYS 88 - HB2 LYS 84 far 0 100 0 - 8.9-11.2 HD3 LYS 88 - HB2 LYS 84 far 0 100 0 - 9.2-11.4 HG2 PRO 43 - HB2 LYS 84 far 0 61 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 3227 from cnoeabs.peaks (7.66, 1.52, 30.09 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.6-3.0 4.0=96, 9470/1.8=72...(16) H GLU 54 - HB3 LYS 58 far 0 40 0 - 8.0-8.9 QD PHE 79 - HB3 LYS 84 far 0 81 0 - 9.2-9.7 HE21 GLN 19 - HB3 LYS 84 far 0 82 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3228 from cnoeabs.peaks (3.81, 1.52, 30.09 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 84 + HB3 LYS 84 OK 100 100 100 100 3.0-3.0 3.0=100 HA TRP 80 - HB3 LYS 84 far 0 70 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 3229 from cnoeabs.peaks (0.84, 1.52, 30.09 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 84 + HB3 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 6 - HB3 LYS 58 far 0 49 0 - 7.5-11.0 QG1 VAL 6 - HB3 LYS 58 far 0 49 0 - 7.6-10.1 QD1 LEU 51 - HB3 LYS 58 far 0 41 0 - 7.7-8.5 QG2 VAL 25 - HB3 LYS 58 far 0 47 0 - 8.9-9.7 QD1 ILE 67 - HB3 LYS 58 far 0 25 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (1.52, 1.52, 30.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 84 + HB3 LYS 84 OK 100 100 - 100 HB3 LYS 58 + HB3 LYS 58 OK 27 27 - 100 Peak 3231 from cnoeabs.peaks (1.21, 1.52, 30.09 ppm; 4.73 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.7-4.2 3.8=100 HB2 LEU 83 - HB3 LYS 84 far 0 73 0 - 5.5-6.8 HG2 LYS 88 - HB3 LYS 84 far 0 99 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. Peak 3232 from cnoeabs.peaks (1.38, 1.52, 30.09 ppm; 5.82 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.4-4.2 3.8=100 HD3 LYS 58 + HB3 LYS 58 OK 45 45 100 100 2.3-2.6 3.6=100 HG LEU 83 - HB3 LYS 84 far 0 87 0 - 6.6-7.2 HB2 LYS 88 - HB3 LYS 84 far 0 96 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (1.20, 1.52, 30.09 ppm; 5.01 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.7-4.2 3.8=100 HG2 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 83 - HB3 LYS 84 far 6 63 10 - 5.5-6.8 HG2 LYS 88 - HB3 LYS 84 far 0 100 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. Peak 3234 from cnoeabs.peaks (1.37, 1.52, 30.09 ppm; 5.82 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.4-4.2 3.8=100 HG3 LYS 84 + HB3 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 58 + HB3 LYS 58 OK 47 47 100 100 2.3-2.6 3.6=100 HG LEU 83 - HB3 LYS 84 far 0 92 0 - 6.6-7.2 HB2 LYS 88 - HB3 LYS 84 far 0 92 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (2.80, 1.52, 30.09 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 84 + HB3 LYS 84 OK 100 100 100 100 3.5-4.3 5.0=100 HG2 GLN 81 + HB3 LYS 84 OK 77 93 95 88 3.7-6.6 3.7/11173=86, ~10042=7 HD2 ARG 66 - HB3 LYS 58 far 5 49 10 - 5.7-8.3 HB2 PHE 10 - HB3 LYS 58 far 0 39 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 3237 from cnoeabs.peaks (8.77, 1.52, 30.09 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 85 + HB3 LYS 84 OK 100 100 100 100 2.4-2.8 4.7=100 H GLU 63 - HB3 LYS 58 far 0 33 0 - 9.3-9.8 H ILE 90 - HB3 LYS 84 far 0 92 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 3239 from cnoeabs.peaks (3.81, 1.21, 27.31 ppm; 3.88 A increased from 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 84 + HG2 LYS 84 OK 100 100 100 100 2.2-3.9 4.0=93, 3250/1.8=59...(21) HA LYS 84 + HD2 LYS 84 OK 66 95 70 99 2.0-4.9 3294/3.0=47, 3250/2.9=46...(19) HA TRP 80 - HG2 LYS 84 far 0 70 0 - 4.9-9.5 HA TRP 80 - HD2 LYS 84 far 0 62 0 - 5.1-9.9 HB2 PHE 79 - HG2 LYS 84 far 0 96 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 3240 from cnoeabs.peaks (0.84, 1.21, 27.31 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 84 + HG2 LYS 84 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 84 + HD2 LYS 84 OK 95 95 100 100 2.3-3.7 3.8=100 QD1 LEU 17 - HD2 LYS 84 far 0 95 0 - 7.7-10.6 QD2 LEU 17 - HD2 LYS 84 far 0 94 0 - 8.2-11.7 QD1 LEU 17 - HG2 LYS 84 far 0 100 0 - 9.0-11.4 QD2 LEU 17 - HG2 LYS 84 far 0 100 0 - 9.4-12.1 QG2 ILE 23 - HD2 LYS 84 far 0 60 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 3241 from cnoeabs.peaks (1.52, 1.21, 27.31 ppm; 4.29 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 84 + HG2 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 84 + HD2 LYS 84 OK 95 95 100 100 2.7-4.2 3.8=100 HB3 LEU 83 - HG2 LYS 84 poor 15 59 25 - 3.6-6.8 HB3 LEU 83 - HD2 LYS 84 far 8 52 15 - 3.4-7.7 HG2 PRO 43 - HD2 LYS 84 far 0 54 0 - 6.9-11.8 HD2 LYS 88 - HG2 LYS 84 far 0 100 0 - 8.3-12.3 HD3 LYS 88 - HD2 LYS 84 far 0 95 0 - 8.6-13.7 HD2 LYS 88 - HD2 LYS 84 far 0 95 0 - 8.7-13.5 HD3 LYS 88 - HG2 LYS 84 far 0 100 0 - 8.8-12.4 HG2 PRO 43 - HG2 LYS 84 far 0 61 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 3242 from cnoeabs.peaks (1.21, 1.21, 27.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 84 + HG2 LYS 84 OK 100 100 - 100 HD2 LYS 84 + HD2 LYS 84 OK 94 94 - 100 Peak 3243 from cnoeabs.peaks (1.38, 1.21, 27.31 ppm; 2.76 A): 4 out of 9 assignments used, quality = 1.00: * HG3 LYS 84 + HG2 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 84 + HD2 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 HD3 LYS 84 + HG2 LYS 84 OK 94 100 100 94 2.3-3.0 2.9=83, 3251/3.0=17...(13) HG3 LYS 84 + HD2 LYS 84 OK 89 95 100 94 2.2-3.0 2.9=83, 3300/3.0=12...(13) HG LEU 83 - HG2 LYS 84 far 0 87 0 - 4.9-8.7 HG LEU 83 - HD2 LYS 84 far 0 78 0 - 5.5-9.4 HB2 LYS 88 - HD2 LYS 84 far 0 88 0 - 7.8-11.9 HB2 LYS 88 - HG2 LYS 84 far 0 96 0 - 7.9-11.2 HG LEU 17 - HD2 LYS 84 far 0 93 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 3244 from cnoeabs.peaks (1.20, 1.21, 27.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 84 + HG2 LYS 84 OK 100 100 - 100 HD2 LYS 84 + HD2 LYS 84 OK 95 95 - 100 Reference assignment not found: HD2 LYS 84 - HG2 LYS 84 Peak 3245 from cnoeabs.peaks (1.37, 1.21, 27.31 ppm; 2.76 A): 4 out of 9 assignments used, quality = 1.00: HG3 LYS 84 + HG2 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 84 + HD2 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 * HD3 LYS 84 + HG2 LYS 84 OK 94 100 100 94 2.3-3.0 2.9=83, 3251/3.0=17...(13) HG3 LYS 84 + HD2 LYS 84 OK 89 95 100 94 2.2-3.0 2.9=83, 3300/3.0=12...(13) HG LEU 83 - HG2 LYS 84 far 0 92 0 - 4.9-8.7 HG LEU 83 - HD2 LYS 84 far 0 84 0 - 5.5-9.4 HB2 LYS 88 - HD2 LYS 84 far 0 84 0 - 7.8-11.9 HB2 LYS 88 - HG2 LYS 84 far 0 92 0 - 7.9-11.2 HG LEU 17 - HD2 LYS 84 far 0 91 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 3246 from cnoeabs.peaks (2.69, 1.21, 27.31 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 84 + HG2 LYS 84 OK 100 100 100 100 2.1-4.2 3.8=100 HE2 LYS 84 + HD2 LYS 84 OK 95 95 100 100 2.2-3.0 3.0=100 HB2 ASP 82 - HG2 LYS 84 far 0 95 0 - 6.0-9.2 HB2 ASP 82 - HD2 LYS 84 far 0 87 0 - 7.5-10.5 HB2 ASN 87 - HG2 LYS 84 far 0 100 0 - 7.7-10.0 HB2 ASN 87 - HD2 LYS 84 far 0 95 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 3247 from cnoeabs.peaks (2.80, 1.21, 27.31 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 84 + HG2 LYS 84 OK 100 100 100 100 2.0-4.0 3.8=100 HE3 LYS 84 + HD2 LYS 84 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 GLN 81 - HD2 LYS 84 far 8 85 10 - 3.6-8.4 HG2 GLN 81 - HG2 LYS 84 far 0 93 0 - 4.8-8.7 Violated in 0 structures by 0.00 A. Peak 3249 from cnoeabs.peaks (7.66, 1.38, 27.31 ppm; 6.00 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 84 + HG3 LYS 84 OK 100 100 100 100 1.8-4.6 5.1=100 H LYS 84 + HD3 LYS 84 OK 95 95 100 100 3.2-5.8 6.2=92, 3227/3.8=91...(20) HE21 GLN 19 - HD3 LYS 84 far 7 74 10 - 6.5-10.4 HD21 ASN 20 - HD3 LYS 84 far 0 79 0 - 7.5-10.7 HE21 GLN 19 - HG3 LYS 84 far 0 82 0 - 7.6-11.1 QD PHE 79 - HG3 LYS 84 far 0 81 0 - 7.7-11.3 QD PHE 79 - HD3 LYS 84 far 0 72 0 - 8.4-12.0 HE3 TRP 16 - HD3 LYS 84 far 0 81 0 - 8.9-14.0 HE3 TRP 16 - HG3 LYS 84 far 0 90 0 - 9.2-14.4 HD21 ASN 20 - HG3 LYS 84 far 0 87 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3250 from cnoeabs.peaks (3.81, 1.38, 27.31 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 84 + HG3 LYS 84 OK 99 100 100 99 2.1-3.9 4.0=76, 3209/1.8=43...(22) HA LYS 84 + HD3 LYS 84 OK 37 95 40 98 2.2-4.9 3294/3.0=41, 3210/2.9=37...(17) HA TRP 80 - HG3 LYS 84 far 0 70 0 - 5.0-9.7 HA TRP 80 - HD3 LYS 84 far 0 62 0 - 5.0-9.8 HB2 PHE 79 - HG3 LYS 84 far 0 96 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (0.84, 1.38, 27.31 ppm; 3.02 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 84 + HG3 LYS 84 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 84 + HD3 LYS 84 OK 75 95 80 98 2.1-3.7 3.8=52, 3295/3.0=43...(31) QD1 LEU 17 - HD3 LYS 84 far 0 95 0 - 7.7-10.5 QD2 LEU 17 - HD3 LYS 84 far 0 95 0 - 8.6-11.5 QD1 LEU 17 - HG3 LYS 84 far 0 100 0 - 9.1-11.9 QG2 ILE 23 - HD3 LYS 84 far 0 60 0 - 9.5-13.4 QD2 LEU 17 - HG3 LYS 84 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3252 from cnoeabs.peaks (1.52, 1.38, 27.31 ppm; 4.05 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 84 + HG3 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 84 + HD3 LYS 84 OK 95 95 100 100 2.4-4.2 3.8=100 HB3 LEU 83 - HG3 LYS 84 poor 15 59 25 - 3.5-6.9 HB3 LEU 83 - HD3 LYS 84 far 5 52 10 - 3.9-7.6 HG2 PRO 43 - HD3 LYS 84 far 0 54 0 - 7.6-11.5 HD2 LYS 88 - HG3 LYS 84 far 0 100 0 - 8.4-12.1 HD3 LYS 88 - HG3 LYS 84 far 0 100 0 - 8.5-12.0 HG2 PRO 43 - HG3 LYS 84 far 0 61 0 - 8.7-12.1 HD2 LYS 88 - HD3 LYS 84 far 0 95 0 - 9.2-13.4 HD3 LYS 88 - HD3 LYS 84 far 0 95 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 3253 from cnoeabs.peaks (1.21, 1.38, 27.31 ppm; 2.79 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 84 + HG3 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 84 + HG3 LYS 84 OK 95 100 100 95 2.2-3.0 2.9=85, 3.0/3300=12...(15) HD2 LYS 84 + HD3 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 HG2 LYS 84 + HD3 LYS 84 OK 91 95 100 96 2.3-3.0 2.9=85, 3.0/3251=17...(15) HB2 LEU 83 - HG3 LYS 84 far 4 73 5 - 3.4-8.0 HB2 LEU 83 - HD3 LYS 84 far 0 65 0 - 3.6-8.8 HG2 LYS 88 - HG3 LYS 84 far 0 99 0 - 6.8-11.4 HG2 LYS 88 - HD3 LYS 84 far 0 93 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3254 from cnoeabs.peaks (1.38, 1.38, 27.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 84 + HG3 LYS 84 OK 100 100 - 100 HD3 LYS 84 + HD3 LYS 84 OK 95 95 - 100 Peak 3255 from cnoeabs.peaks (1.20, 1.38, 27.31 ppm; 2.87 A): 4 out of 8 assignments used, quality = 1.00: HG2 LYS 84 + HG3 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 * HD2 LYS 84 + HG3 LYS 84 OK 98 100 100 98 2.2-3.0 2.9=93, 3.0/3300=13...(15) HD2 LYS 84 + HD3 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 HG2 LYS 84 + HD3 LYS 84 OK 93 95 100 98 2.3-3.0 2.9=93, 3.0/3251=18...(15) HB2 LEU 83 - HG3 LYS 84 far 3 63 5 - 3.4-8.0 HB2 LEU 83 - HD3 LYS 84 far 0 56 0 - 3.6-8.8 HG2 LYS 88 - HG3 LYS 84 far 0 100 0 - 6.8-11.4 HG2 LYS 88 - HD3 LYS 84 far 0 95 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3256 from cnoeabs.peaks (1.37, 1.38, 27.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 84 + HG3 LYS 84 OK 100 100 - 100 HD3 LYS 84 + HD3 LYS 84 OK 95 95 - 100 Reference assignment not found: HD3 LYS 84 - HG3 LYS 84 Peak 3257 from cnoeabs.peaks (2.69, 1.38, 27.31 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 84 + HG3 LYS 84 OK 100 100 100 100 3.3-4.2 3.8=100 HE2 LYS 84 + HD3 LYS 84 OK 95 95 100 100 2.3-3.0 3.0=100 HB2 ASP 82 - HG3 LYS 84 far 0 95 0 - 6.0-9.2 HB2 ASP 82 - HD3 LYS 84 far 0 87 0 - 7.7-10.5 HB2 ASN 87 - HG3 LYS 84 far 0 100 0 - 7.8-10.3 HB2 ASN 87 - HD3 LYS 84 far 0 95 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 3258 from cnoeabs.peaks (2.80, 1.38, 27.31 ppm; 3.89 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 84 + HG3 LYS 84 OK 100 100 100 100 2.1-4.2 3.8=100 HE3 LYS 84 + HD3 LYS 84 OK 95 95 100 100 2.3-3.0 3.0=100 HG2 GLN 81 - HD3 LYS 84 far 4 85 5 - 3.8-8.9 HG2 GLN 81 - HG3 LYS 84 far 0 93 0 - 4.8-8.7 Violated in 0 structures by 0.00 A. Peak 3261 from cnoeabs.peaks (3.81, 1.20, 27.51 ppm; 3.86 A): 2 out of 5 assignments used, quality = 0.98: HA LYS 84 + HG2 LYS 84 OK 95 95 100 100 2.2-3.9 4.0=91, 3250/1.8=58...(21) * HA LYS 84 + HD2 LYS 84 OK 69 100 70 99 2.0-4.9 3294/3.0=46, 3250/2.9=45...(19) HA TRP 80 - HG2 LYS 84 far 0 62 0 - 4.9-9.5 HA TRP 80 - HD2 LYS 84 far 0 70 0 - 5.1-9.9 HB2 PHE 79 - HG2 LYS 84 far 0 88 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 3262 from cnoeabs.peaks (0.84, 1.20, 27.51 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 84 + HD2 LYS 84 OK 100 100 100 100 2.3-3.7 3.8=100 HB2 LYS 84 + HG2 LYS 84 OK 95 95 100 100 2.5-3.0 3.0=100 QD1 LEU 17 - HD2 LYS 84 far 0 100 0 - 7.7-10.6 QD2 LEU 17 - HD2 LYS 84 far 0 100 0 - 8.2-11.7 QD1 LEU 17 - HG2 LYS 84 far 0 95 0 - 9.0-11.4 QD2 LEU 17 - HG2 LYS 84 far 0 94 0 - 9.4-12.1 QG2 ILE 23 - HD2 LYS 84 far 0 68 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 3263 from cnoeabs.peaks (1.52, 1.20, 27.51 ppm; 4.52 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 84 + HD2 LYS 84 OK 100 100 100 100 2.7-4.2 3.8=100 HB3 LYS 84 + HG2 LYS 84 OK 95 95 100 100 2.2-3.0 3.0=100 HB3 LEU 83 - HD2 LYS 84 poor 15 59 25 - 3.4-7.7 HB3 LEU 83 - HG2 LYS 84 poor 13 52 25 - 3.6-6.8 HG2 PRO 43 - HD2 LYS 84 far 0 61 0 - 6.9-11.8 HD2 LYS 88 - HG2 LYS 84 far 0 95 0 - 8.3-12.3 HD3 LYS 88 - HD2 LYS 84 far 0 100 0 - 8.6-13.7 HD2 LYS 88 - HD2 LYS 84 far 0 100 0 - 8.7-13.5 HD3 LYS 88 - HG2 LYS 84 far 0 95 0 - 8.8-12.4 HG2 PRO 43 - HG2 LYS 84 far 0 54 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 3264 from cnoeabs.peaks (1.21, 1.20, 27.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 84 + HD2 LYS 84 OK 100 100 - 100 HG2 LYS 84 + HG2 LYS 84 OK 95 95 - 100 Reference assignment not found: HG2 LYS 84 - HD2 LYS 84 Peak 3265 from cnoeabs.peaks (1.38, 1.20, 27.51 ppm; 2.93 A): 4 out of 9 assignments used, quality = 1.00: HD3 LYS 84 + HD2 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 * HG3 LYS 84 + HD2 LYS 84 OK 100 100 100 100 2.2-3.0 2.9=99, 3300/3.0=13...(13) HG3 LYS 84 + HG2 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 HD3 LYS 84 + HG2 LYS 84 OK 94 95 100 100 2.3-3.0 2.9=99, 3251/3.0=19...(13) HG LEU 83 - HG2 LYS 84 far 0 78 0 - 4.9-8.7 HG LEU 83 - HD2 LYS 84 far 0 87 0 - 5.5-9.4 HB2 LYS 88 - HD2 LYS 84 far 0 96 0 - 7.8-11.9 HB2 LYS 88 - HG2 LYS 84 far 0 88 0 - 7.9-11.2 HG LEU 17 - HD2 LYS 84 far 0 99 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 3266 from cnoeabs.peaks (1.20, 1.20, 27.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 84 + HD2 LYS 84 OK 100 100 - 100 HG2 LYS 84 + HG2 LYS 84 OK 94 94 - 100 Peak 3267 from cnoeabs.peaks (1.37, 1.20, 27.51 ppm; 2.93 A): 4 out of 9 assignments used, quality = 1.00: * HD3 LYS 84 + HD2 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 84 + HD2 LYS 84 OK 99 100 100 100 2.2-3.0 2.9=99, 3300/3.0=13...(13) HD3 LYS 84 + HG2 LYS 84 OK 95 95 100 100 2.3-3.0 2.9=99, 3251/3.0=19...(13) HG3 LYS 84 + HG2 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 HG LEU 83 - HG2 LYS 84 far 0 84 0 - 4.9-8.7 HG LEU 83 - HD2 LYS 84 far 0 92 0 - 5.5-9.4 HB2 LYS 88 - HD2 LYS 84 far 0 92 0 - 7.8-11.9 HB2 LYS 88 - HG2 LYS 84 far 0 84 0 - 7.9-11.2 HG LEU 17 - HD2 LYS 84 far 0 98 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 3271 from cnoeabs.peaks (7.66, 1.37, 27.51 ppm; 6.00 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 84 + HD3 LYS 84 OK 100 100 100 100 3.2-5.8 6.2=92, 3227/3.8=91...(20) H LYS 84 + HG3 LYS 84 OK 95 95 100 100 1.8-4.6 5.1=100 HE21 GLN 19 - HD3 LYS 84 far 8 82 10 - 6.5-10.4 HD21 ASN 20 - HD3 LYS 84 far 0 87 0 - 7.5-10.7 HE21 GLN 19 - HG3 LYS 84 far 0 74 0 - 7.6-11.1 QD PHE 79 - HG3 LYS 84 far 0 72 0 - 7.7-11.3 QD PHE 79 - HD3 LYS 84 far 0 81 0 - 8.4-12.0 HE3 TRP 16 - HD3 LYS 84 far 0 90 0 - 8.9-14.0 HE3 TRP 16 - HG3 LYS 84 far 0 81 0 - 9.2-14.4 HD21 ASN 20 - HG3 LYS 84 far 0 79 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3272 from cnoeabs.peaks (3.81, 1.37, 27.51 ppm; 3.75 A): 2 out of 5 assignments used, quality = 0.98: HA LYS 84 + HG3 LYS 84 OK 95 95 100 100 2.1-3.9 4.0=84, 3209/1.8=46...(23) * HA LYS 84 + HD3 LYS 84 OK 54 100 55 99 2.2-4.9 3294/3.0=43, 3210/2.9=39...(17) HA TRP 80 - HG3 LYS 84 far 0 62 0 - 5.0-9.7 HA TRP 80 - HD3 LYS 84 far 0 70 0 - 5.0-9.8 HB2 PHE 79 - HG3 LYS 84 far 0 88 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 3273 from cnoeabs.peaks (0.84, 1.37, 27.51 ppm; 4.14 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 84 + HD3 LYS 84 OK 100 100 100 100 2.1-3.7 3.8=100 HB2 LYS 84 + HG3 LYS 84 OK 95 95 100 100 2.5-3.0 3.0=100 QD1 LEU 17 - HD3 LYS 84 far 0 100 0 - 7.7-10.5 QD2 LEU 17 - HD3 LYS 84 far 0 100 0 - 8.6-11.5 QD1 LEU 17 - HG3 LYS 84 far 0 95 0 - 9.1-11.9 QG2 ILE 23 - HD3 LYS 84 far 0 68 0 - 9.5-13.4 QD2 LEU 17 - HG3 LYS 84 far 0 95 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3274 from cnoeabs.peaks (1.52, 1.37, 27.51 ppm; 4.37 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 84 + HD3 LYS 84 OK 100 100 100 100 2.4-4.2 3.8=100 HB3 LYS 84 + HG3 LYS 84 OK 95 95 100 100 2.2-3.0 3.0=100 HB3 LEU 83 - HG3 LYS 84 poor 16 52 30 - 3.5-6.9 HB3 LEU 83 - HD3 LYS 84 poor 12 59 20 - 3.9-7.6 HG2 PRO 43 - HD3 LYS 84 far 0 61 0 - 7.6-11.5 HD2 LYS 88 - HG3 LYS 84 far 0 95 0 - 8.4-12.1 HD3 LYS 88 - HG3 LYS 84 far 0 95 0 - 8.5-12.0 HG2 PRO 43 - HG3 LYS 84 far 0 54 0 - 8.7-12.1 HD2 LYS 88 - HD3 LYS 84 far 0 100 0 - 9.2-13.4 HD3 LYS 88 - HD3 LYS 84 far 0 100 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 3275 from cnoeabs.peaks (1.21, 1.37, 27.51 ppm; 2.96 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 84 + HD3 LYS 84 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 84 + HD3 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 84 + HG3 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 HD2 LYS 84 + HG3 LYS 84 OK 95 95 100 100 2.2-3.0 2.9=100 HB2 LEU 83 - HG3 LYS 84 far 3 65 5 - 3.4-8.0 HB2 LEU 83 - HD3 LYS 84 far 0 73 0 - 3.6-8.8 HG2 LYS 88 - HG3 LYS 84 far 0 93 0 - 6.8-11.4 HG2 LYS 88 - HD3 LYS 84 far 0 99 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3276 from cnoeabs.peaks (1.38, 1.37, 27.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 84 + HD3 LYS 84 OK 100 100 - 100 HG3 LYS 84 + HG3 LYS 84 OK 95 95 - 100 Reference assignment not found: HG3 LYS 84 - HD3 LYS 84 Peak 3277 from cnoeabs.peaks (1.20, 1.37, 27.51 ppm; 2.98 A): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 84 + HD3 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 84 + HD3 LYS 84 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 84 + HG3 LYS 84 OK 95 95 100 100 2.2-3.0 2.9=100 HG2 LYS 84 + HG3 LYS 84 OK 95 95 100 100 1.8-1.8 1.8=100 HB2 LEU 83 - HG3 LYS 84 far 3 56 5 - 3.4-8.0 HB2 LEU 83 - HD3 LYS 84 far 0 63 0 - 3.6-8.8 HG2 LYS 88 - HG3 LYS 84 far 0 95 0 - 6.8-11.4 HG2 LYS 88 - HD3 LYS 84 far 0 100 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3278 from cnoeabs.peaks (1.37, 1.37, 27.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 84 + HD3 LYS 84 OK 100 100 - 100 HG3 LYS 84 + HG3 LYS 84 OK 95 95 - 100 Peak 3279 from cnoeabs.peaks (2.69, 1.37, 27.51 ppm; 4.43 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 84 + HD3 LYS 84 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 84 + HG3 LYS 84 OK 95 95 100 100 3.3-4.2 3.8=100 HB2 ASP 82 - HG3 LYS 84 far 0 87 0 - 6.0-9.2 HB2 ASP 82 - HD3 LYS 84 far 0 95 0 - 7.7-10.5 HB2 ASN 87 - HG3 LYS 84 far 0 95 0 - 7.8-10.3 HB2 ASN 87 - HD3 LYS 84 far 0 100 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 3280 from cnoeabs.peaks (2.80, 1.37, 27.51 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 84 + HD3 LYS 84 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 84 + HG3 LYS 84 OK 95 95 100 100 2.1-4.2 3.8=100 HG2 GLN 81 - HD3 LYS 84 far 5 93 5 - 3.8-8.9 HG2 GLN 81 - HG3 LYS 84 far 0 85 0 - 4.8-8.7 Violated in 0 structures by 0.00 A. Peak 3283 from cnoeabs.peaks (3.81, 2.69, 41.89 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 84 + HE2 LYS 84 OK 100 100 100 100 3.2-5.1 3213=100, 3294/1.8=100...(18) HA TRP 80 - HE2 LYS 84 far 0 70 0 - 6.8-9.2 Violated in 0 structures by 0.00 A. Peak 3284 from cnoeabs.peaks (0.84, 2.69, 41.89 ppm; 4.47 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 84 + HE2 LYS 84 OK 100 100 100 100 1.9-4.2 5.0=70, ~3296=58...(27) QG2 VAL 25 + HB3 PHE 10 OK 54 54 100 99 4.1-4.3 ~8154=59, ~8968=57...(11) QD1 LEU 51 - HB3 PHE 10 far 0 48 0 - 5.5-5.7 QG2 ILE 11 - HB3 PHE 10 far 0 52 0 - 5.6-5.6 QD1 LEU 12 - HB3 PHE 10 far 0 55 0 - 6.8-7.0 QD1 LEU 17 - HE2 LYS 84 far 0 100 0 - 7.1-9.7 QD2 LEU 17 - HE2 LYS 84 far 0 100 0 - 7.5-10.6 QG1 VAL 103 - HB3 PHE 10 far 0 33 0 - 8.2-9.9 QG2 VAL 6 - HB3 PHE 10 far 0 56 0 - 8.3-9.9 QG1 VAL 6 - HB3 PHE 10 far 0 56 0 - 8.6-11.2 QD1 ILE 67 - HB3 PHE 10 far 0 29 0 - 8.7-9.2 QG2 VAL 102 - HB3 PHE 10 far 0 56 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 3285 from cnoeabs.peaks (1.52, 2.69, 41.89 ppm; 5.16 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 84 + HE2 LYS 84 OK 100 100 100 100 2.8-5.2 5.0=100 HB3 LEU 83 - HE2 LYS 84 far 9 59 15 - 5.4-8.2 HG2 PRO 43 - HE2 LYS 84 far 0 61 0 - 7.5-10.9 QB ALA 73 - HB3 PHE 10 far 0 55 0 - 8.4-8.7 HG LEU 12 - HB3 PHE 10 far 0 54 0 - 8.8-8.9 HB3 LYS 58 - HB3 PHE 10 far 0 31 0 - 9.0-9.5 HB3 LEU 51 - HB3 PHE 10 far 0 32 0 - 9.7-10.4 Violated in 1 structures by 0.00 A. Peak 3286 from cnoeabs.peaks (1.21, 2.69, 41.89 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 84 + HE2 LYS 84 OK 100 100 100 100 2.1-4.2 3.8=100 HD2 LYS 84 + HE2 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 83 - HE2 LYS 84 far 0 73 0 - 5.9-8.4 HB2 LEU 12 - HB3 PHE 10 far 0 42 0 - 6.4-6.6 HG2 LYS 88 - HE2 LYS 84 far 0 99 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (1.38, 2.69, 41.89 ppm; 4.11 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 84 + HE2 LYS 84 OK 100 100 100 100 3.3-4.2 3.8=100 HD3 LYS 84 + HE2 LYS 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 83 - HE2 LYS 84 far 0 87 0 - 7.3-8.9 QB ALA 64 - HB3 PHE 10 far 0 56 0 - 7.8-8.2 HD3 LYS 58 - HB3 PHE 10 far 0 51 0 - 8.0-8.6 HG LEU 17 - HE2 LYS 84 far 0 99 0 - 9.3-12.7 HB2 LYS 88 - HE2 LYS 84 far 0 96 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3288 from cnoeabs.peaks (1.20, 2.69, 41.89 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 84 + HE2 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 84 + HE2 LYS 84 OK 100 100 100 100 2.1-4.2 3.8=100 HB2 LEU 83 - HE2 LYS 84 far 0 63 0 - 5.9-8.4 HB2 LEU 12 - HB3 PHE 10 far 0 47 0 - 6.4-6.6 HG2 LYS 88 - HE2 LYS 84 far 0 100 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3289 from cnoeabs.peaks (1.37, 2.69, 41.89 ppm; 4.11 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 84 + HE2 LYS 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 84 + HE2 LYS 84 OK 100 100 100 100 3.3-4.2 3.8=100 HG LEU 83 - HE2 LYS 84 far 0 92 0 - 7.3-8.9 QB ALA 64 - HB3 PHE 10 far 0 56 0 - 7.8-8.2 HD3 LYS 58 - HB3 PHE 10 far 0 54 0 - 8.0-8.6 HG LEU 17 - HE2 LYS 84 far 0 98 0 - 9.3-12.7 HB2 LYS 88 - HE2 LYS 84 far 0 92 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3290 from cnoeabs.peaks (2.69, 2.69, 41.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 84 + HE2 LYS 84 OK 100 100 - 100 HB3 PHE 10 + HB3 PHE 10 OK 30 30 - 100 Peak 3291 from cnoeabs.peaks (2.80, 2.69, 41.89 ppm; 2.45 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 84 + HE2 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 10 + HB3 PHE 10 OK 45 45 100 100 1.8-1.8 1.8=100 HG2 GLN 81 - HE2 LYS 84 far 0 93 0 - 3.9-8.5 HD2 ARG 66 - HB3 PHE 10 far 0 56 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 3293 from cnoeabs.peaks (7.66, 2.80, 41.89 ppm; 5.37 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 84 + HE3 LYS 84 OK 100 100 100 100 3.7-5.9 4.0/3295=87, 2.9/3294=83...(18) H VAL 69 + HB2 PHE 10 OK 59 61 100 96 4.7-5.0 4.0/8453=84, 4.0/9806=72...(4) HE21 GLN 19 - HE3 LYS 84 far 8 82 10 - 5.9-9.2 H LEU 51 - HE3 LYS 52 far 0 61 0 - 6.7-8.3 H GLU 54 - HE3 LYS 52 far 0 88 0 - 6.8-9.0 HD21 ASN 20 - HE3 LYS 84 far 0 87 0 - 7.3-9.3 H VAL 69 - HE3 LYS 52 far 0 83 0 - 8.9-12.1 QD PHE 79 - HE3 LYS 84 far 0 81 0 - 9.1-11.4 HE3 TRP 16 - HE3 LYS 84 far 0 90 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (3.81, 2.80, 41.89 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 84 + HE3 LYS 84 OK 100 100 100 100 2.9-4.6 3.0/3295=85, 3214=81...(18) HA TRP 80 - HE3 LYS 84 far 0 70 0 - 6.3-8.7 HB3 TRP 16 - HE3 LYS 84 far 0 82 0 - 9.9-13.5 Violated in 2 structures by 0.01 A. Peak 3295 from cnoeabs.peaks (0.84, 2.80, 41.89 ppm; 3.27 A): 1 out of 16 assignments used, quality = 0.96: * HB2 LYS 84 + HE3 LYS 84 OK 96 100 100 96 2.0-3.3 1.8/3296=39, 3.0/3294=32...(26) QD1 ILE 67 - HE3 LYS 52 far 0 61 0 - 4.3-6.8 QG2 VAL 25 - HB2 PHE 10 far 0 77 0 - 4.8-5.1 QG2 ILE 11 - HB2 PHE 10 far 0 74 0 - 5.6-5.7 QD1 LEU 51 - HB2 PHE 10 far 0 69 0 - 6.4-6.6 QD1 LEU 51 - HE3 LYS 52 far 0 91 0 - 7.0-8.1 QD1 LEU 12 - HB2 PHE 10 far 0 77 0 - 7.4-7.6 QG1 VAL 6 - HB2 PHE 10 far 0 79 0 - 8.0-11.0 QG2 VAL 6 - HB2 PHE 10 far 0 79 0 - 8.0-9.7 QD1 ILE 67 - HB2 PHE 10 far 0 43 0 - 8.1-8.5 QG2 VAL 25 - HE3 LYS 52 far 0 98 0 - 8.1-9.5 QD1 LEU 17 - HE3 LYS 84 far 0 100 0 - 8.3-8.7 QD1 LEU 12 - HE3 LYS 52 far 0 98 0 - 8.6-10.5 QD2 LEU 17 - HE3 LYS 84 far 0 100 0 - 8.7-9.6 QG1 VAL 103 - HB2 PHE 10 far 0 49 0 - 8.9-10.6 QG2 VAL 102 - HB2 PHE 10 far 0 79 0 - 9.6-9.9 Violated in 1 structures by 0.00 A. Peak 3296 from cnoeabs.peaks (1.52, 2.80, 41.89 ppm; 4.43 A increased from 4.17 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 84 + HE3 LYS 84 OK 100 100 100 100 3.5-4.3 1.8/3295=98, 5.0=68...(25) HB3 LEU 83 - HE3 LYS 84 poor 15 59 25 - 4.5-8.5 HB3 LEU 51 - HE3 LYS 52 far 0 67 0 - 6.8-9.3 QB ALA 73 - HE3 LYS 52 far 0 98 0 - 7.1-9.2 HG2 PRO 43 - HE3 LYS 84 far 0 61 0 - 7.4-11.2 QB ALA 73 - HB2 PHE 10 far 0 78 0 - 8.8-9.0 HG LEU 12 - HB2 PHE 10 far 0 76 0 - 9.5-9.6 HB3 LYS 58 - HB2 PHE 10 far 0 46 0 - 9.7-10.1 HD2 LYS 88 - HE3 LYS 84 far 0 100 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 3297 from cnoeabs.peaks (1.21, 2.80, 41.89 ppm; 3.03 A): 3 out of 6 assignments used, quality = 1.00: HD2 LYS 84 + HE3 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 84 + HE3 LYS 84 OK 71 100 75 95 2.0-4.0 3.8=52, 3.0/3295=44...(16) HD2 LYS 52 + HE3 LYS 52 OK 59 59 100 100 2.3-3.0 3.0=100 HB2 LEU 83 - HE3 LYS 84 far 0 73 0 - 5.8-7.8 HB2 LEU 12 - HB2 PHE 10 far 0 61 0 - 6.8-7.0 HG2 LYS 88 - HE3 LYS 84 far 0 99 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (1.38, 2.80, 41.89 ppm; 3.31 A): 3 out of 7 assignments used, quality = 1.00: HD3 LYS 84 + HE3 LYS 84 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 LYS 84 + HE3 LYS 84 OK 74 100 75 98 2.1-4.2 3.8=68, 3.0/3295=53...(15) HB3 LYS 52 + HE3 LYS 52 OK 51 89 60 94 2.9-4.5 2.9/1588=54, 1.8/1585=39...(10) HG LEU 83 - HE3 LYS 84 far 0 87 0 - 6.2-9.1 QB ALA 64 - HB2 PHE 10 far 0 79 0 - 6.5-6.8 HD3 LYS 58 - HB2 PHE 10 far 0 73 0 - 8.9-9.5 HB2 LYS 88 - HE3 LYS 84 far 0 96 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 3299 from cnoeabs.peaks (1.20, 2.80, 41.89 ppm; 3.01 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 84 + HE3 LYS 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 84 + HE3 LYS 84 OK 71 100 75 94 2.0-4.0 3.8=51, 3.0/3295=43...(16) HB2 LEU 83 - HE3 LYS 84 far 0 63 0 - 5.8-7.8 HB2 LEU 12 - HB2 PHE 10 far 0 67 0 - 6.8-7.0 HG2 LYS 88 - HE3 LYS 84 far 0 100 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 3300 from cnoeabs.peaks (1.37, 2.80, 41.89 ppm; 3.31 A): 3 out of 7 assignments used, quality = 1.00: * HD3 LYS 84 + HE3 LYS 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 84 + HE3 LYS 84 OK 74 100 75 98 2.1-4.2 3.8=68, 3.0/3295=53...(15) HB3 LYS 52 + HE3 LYS 52 OK 47 84 60 94 2.9-4.5 2.9/1588=54, 1.8/1585=39...(10) HG LEU 83 - HE3 LYS 84 far 0 92 0 - 6.2-9.1 QB ALA 64 - HB2 PHE 10 far 0 79 0 - 6.5-6.8 HD3 LYS 58 - HB2 PHE 10 far 0 76 0 - 8.9-9.5 HB2 LYS 88 - HE3 LYS 84 far 0 92 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 3301 from cnoeabs.peaks (2.69, 2.80, 41.89 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 84 + HE3 LYS 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 10 + HB2 PHE 10 OK 45 45 100 100 1.8-1.8 1.8=100 HB2 ASP 82 - HE3 LYS 84 far 0 95 0 - 8.1-10.5 HB2 ASN 87 - HE3 LYS 84 far 0 100 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 3302 from cnoeabs.peaks (2.80, 2.80, 41.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 84 + HE3 LYS 84 OK 100 100 - 100 HE3 LYS 52 + HE3 LYS 52 OK 98 98 - 100 HB2 PHE 10 + HB2 PHE 10 OK 65 65 - 100 Peak 3304 from cnoeabs.peaks (8.77, 4.36, 55.01 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 85 + HA ASN 85 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (4.36, 4.36, 55.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HA ASN 85 OK 100 100 - 100 Peak 3306 from cnoeabs.peaks (2.90, 4.36, 55.01 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 85 + HA ASN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 88 - HA ASN 85 far 0 96 0 - 9.3-11.0 HE2 LYS 88 - HA ASN 85 far 0 92 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 3307 from cnoeabs.peaks (3.19, 4.36, 55.01 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 3309 from cnoeabs.peaks (7.98, 4.36, 55.01 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HA ASN 85 OK 100 100 100 100 3.9-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 3310 from cnoeabs.peaks (7.56, 4.36, 55.01 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 86 + HA ASN 85 OK 100 100 100 100 3.4-3.5 3.6=100 HD22 ASN 87 - HA ASN 85 far 0 99 0 - 5.7-6.3 H LEU 83 - HA ASN 85 far 0 65 0 - 7.2-7.3 Violated in 0 structures by 0.00 A. Peak 3311 from cnoeabs.peaks (8.77, 2.90, 37.51 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.97: * H ASN 85 + HB2 ASN 85 OK 97 100 100 97 2.4-3.6 7473=93, 7491/7493=44 Violated in 0 structures by 0.00 A. Peak 3312 from cnoeabs.peaks (4.36, 2.90, 37.51 ppm; 3.24 A): 2 out of 3 assignments used, quality = 1.00: * HA ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASN 78 + HB3 ASN 78 OK 65 65 100 100 3.0-3.0 3.0=100 HA ASN 78 - HB2 ASN 85 far 0 90 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 3313 from cnoeabs.peaks (2.90, 2.90, 37.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 85 + HB2 ASN 85 OK 100 100 - 100 HB3 ASN 78 + HB3 ASN 78 OK 79 79 - 100 Peak 3314 from cnoeabs.peaks (3.19, 2.90, 37.51 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3315 from cnoeabs.peaks (7.21, 2.90, 37.51 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 85 + HB2 ASN 85 OK 100 100 100 100 3.4-4.0 3.5=100 HZ3 TRP 80 - HB2 ASN 85 far 0 100 0 - 8.9-11.3 HZ3 TRP 80 - HB3 ASN 78 far 0 78 0 - 8.9-9.6 HD21 ASN 85 - HB3 ASN 78 far 0 79 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3316 from cnoeabs.peaks (7.98, 2.90, 37.51 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.1-3.4 3.5=100 H VAL 76 - HB3 ASN 78 far 0 49 0 - 4.8-4.9 HD22 ASN 85 - HB3 ASN 78 far 0 79 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3317 from cnoeabs.peaks (7.56, 2.90, 37.51 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.99: * H GLN 86 + HB2 ASN 85 OK 97 100 100 97 2.6-4.2 7493=69, 7494/1.8=63...(8) HD21 ASN 78 + HB3 ASN 78 OK 79 79 100 100 2.1-2.2 3.5=100 H GLU 75 - HB3 ASN 78 far 0 58 0 - 4.7-4.9 H LEU 83 - HB2 ASN 85 far 0 65 0 - 5.8-7.7 HD22 ASN 87 - HB2 ASN 85 far 0 99 0 - 7.2-8.4 H LEU 83 - HB3 ASN 78 far 0 45 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 3318 from cnoeabs.peaks (8.77, 3.19, 37.51 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.4-3.6 4.0=100 H ALA 45 - HB3 ASP 46 far 0 42 0 - 6.6-7.1 H ILE 23 - HB3 ASP 46 far 0 39 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (4.36, 3.19, 37.51 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.3-2.6 3.0=100 HA ASN 78 - HB3 ASN 85 far 0 90 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 3320 from cnoeabs.peaks (2.90, 3.19, 37.51 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 85 + HB3 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 88 - HB3 ASN 85 far 0 96 0 - 9.0-11.7 HE2 LYS 88 - HB3 ASN 85 far 0 92 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 3321 from cnoeabs.peaks (3.19, 3.19, 37.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 85 + HB3 ASN 85 OK 100 100 - 100 HB3 ASP 46 + HB3 ASP 46 OK 60 60 - 100 Peak 3322 from cnoeabs.peaks (7.21, 3.19, 37.51 ppm; 5.85 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 85 + HB3 ASN 85 OK 100 100 100 100 3.4-4.1 3.5=100 HZ3 TRP 80 - HB3 ASN 85 far 0 100 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 3323 from cnoeabs.peaks (7.98, 3.19, 37.51 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 3324 from cnoeabs.peaks (7.56, 3.19, 37.51 ppm; 4.73 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 86 + HB3 ASN 85 OK 100 100 100 100 3.7-4.2 4.4=100 H GLN 49 + HB3 ASP 46 OK 61 68 100 90 3.0-3.6 9367/9373=49...(5) H LEU 83 - HB3 ASN 85 far 0 65 0 - 6.4-7.8 HD22 ASN 87 - HB3 ASN 85 far 0 99 0 - 7.3-8.5 H ARG 44 - HB3 ASP 46 far 0 42 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 3325 from cnoeabs.peaks (7.56, 4.31, 55.01 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 86 + HA GLN 86 OK 100 100 100 100 2.9-2.9 3.0=100 HD22 ASN 87 - HA GLN 86 far 0 99 0 - 5.0-5.3 H LEU 83 - HA GLN 86 far 0 65 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 3326 from cnoeabs.peaks (4.31, 4.31, 55.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 86 + HA GLN 86 OK 100 100 - 100 Peak 3327 from cnoeabs.peaks (2.27, 4.31, 55.01 ppm; 2.84 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 86 + HA GLN 86 OK 99 100 100 99 2.4-2.5 3.0=89, 3.0/3353=38...(18) HG2 GLN 86 + HA GLN 86 OK 89 92 100 97 2.4-2.6 3353=58, 1.8/3362=51...(17) HG3 GLN 89 - HA GLN 86 far 0 79 0 - 7.5-11.7 HG2 GLN 89 - HA GLN 86 far 0 93 0 - 7.5-12.4 Violated in 0 structures by 0.00 A. Peak 3328 from cnoeabs.peaks (1.83, 4.31, 55.01 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 86 + HA GLN 86 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLN 89 - HA GLN 86 far 0 82 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (2.29, 4.31, 55.01 ppm; 2.77 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 86 + HA GLN 86 OK 97 100 100 97 2.4-2.6 3353=58, 1.8/3362=48...(17) HB2 GLN 86 + HA GLN 86 OK 90 92 100 98 2.4-2.5 3.0=82, 3.0/3353=36...(18) HG2 GLN 89 - HA GLN 86 far 0 59 0 - 7.5-12.4 Violated in 0 structures by 0.00 A. Peak 3330 from cnoeabs.peaks (2.50, 4.31, 55.01 ppm; 3.44 A increased from 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 86 + HA GLN 86 OK 100 100 100 100 3.3-3.4 3362=100, 1.8/3353=75...(16) HG3 GLN 81 - HA GLN 86 far 0 99 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 3333 from cnoeabs.peaks (8.09, 4.31, 55.01 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + HA GLN 86 OK 100 100 100 100 3.2-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (7.56, 2.27, 29.86 ppm; 3.38 A): 3 out of 8 assignments used, quality = 1.00: * H GLN 86 + HB2 GLN 86 OK 100 100 100 100 3.6-3.7 7499/1.8=72, 4.0=61...(16) H GLU 75 + HB2 GLU 75 OK 63 64 100 99 2.6-2.8 4.0=62, 7063/3.0=40...(16) H GLU 75 + HB3 GLU 75 OK 62 63 100 98 3.6-3.6 4.0=62, 7063/3.0=40...(13) HD21 ASN 78 - HB3 GLU 75 far 0 84 0 - 5.1-5.4 HD21 ASN 78 - HB2 GLU 75 far 0 85 0 - 5.8-6.0 H LEU 83 - HB2 GLN 86 far 0 65 0 - 6.2-6.6 HD22 ASN 87 - HB2 GLN 86 far 0 99 0 - 6.6-6.9 H ARG 44 - HB2 GLN 19 far 0 69 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 3335 from cnoeabs.peaks (4.31, 2.27, 29.86 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 86 + HB2 GLN 86 OK 100 100 100 100 2.4-2.5 3.0=100 HA ASN 87 - HB2 GLN 86 far 0 82 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 3336 from cnoeabs.peaks (2.27, 2.27, 29.86 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 86 + HB2 GLN 86 OK 100 100 - 100 HB2 GLN 19 + HB2 GLN 19 OK 100 100 - 100 HB2 GLU 75 + HB2 GLU 75 OK 84 84 - 100 HB3 GLU 75 + HB3 GLU 75 OK 84 84 - 100 Peak 3337 from cnoeabs.peaks (1.83, 2.27, 29.86 ppm; 2.98 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 86 + HB2 GLN 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 17 - HB2 GLN 19 far 0 82 0 - 4.5-5.6 HB VAL 76 - HB2 GLU 75 far 0 79 0 - 4.5-4.6 HB VAL 76 - HB3 GLU 75 far 0 79 0 - 5.8-6.0 HB3 LEU 12 - HB2 GLU 75 far 0 57 0 - 8.2-8.4 HB2 GLN 89 - HB2 GLN 86 far 0 82 0 - 8.9-10.4 HB3 LEU 12 - HB3 GLU 75 far 0 57 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3338 from cnoeabs.peaks (2.29, 2.27, 29.86 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLN 86 + HB2 GLN 86 OK 92 92 - 100 HB2 GLN 19 + HB2 GLN 19 OK 88 88 - 100 HB3 GLU 75 + HB3 GLU 75 OK 79 79 - 100 HB2 GLU 75 + HB2 GLU 75 OK 78 78 - 100 Reference assignment not found: HG2 GLN 86 - HB2 GLN 86 Peak 3339 from cnoeabs.peaks (2.50, 2.27, 29.86 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 86 + HB2 GLN 86 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLN 81 - HB2 GLN 86 far 0 99 0 - 9.7-12.4 HG3 GLN 81 - HB3 GLU 75 far 0 83 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 3340 from cnoeabs.peaks (6.76, 2.27, 29.86 ppm; 5.35 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 86 + HB2 GLN 86 OK 100 100 100 100 3.9-4.1 4.6=100 HE21 GLN 89 - HB2 GLN 86 far 0 87 0 - 6.7-12.0 HD22 ASN 78 - HB3 GLU 75 far 0 77 0 - 6.9-7.2 HD22 ASN 78 - HB2 GLU 75 far 0 77 0 - 7.4-7.7 HE21 GLN 89 - HB2 GLN 19 far 0 86 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 3342 from cnoeabs.peaks (8.09, 2.27, 29.86 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + HB2 GLN 86 OK 100 100 100 100 4.1-4.4 7524=99, 7525/1.8=79...(8) Violated in 0 structures by 0.00 A. Peak 3343 from cnoeabs.peaks (7.56, 1.83, 29.86 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 86 + HB3 GLN 86 OK 100 100 100 100 2.4-2.6 7499=100, 7501/3.0=62...(15) H LEU 83 - HB3 GLN 86 far 0 65 0 - 4.6-5.0 HD22 ASN 87 - HB3 GLN 86 far 0 99 0 - 6.9-7.2 Violated in 0 structures by 0.00 A. Peak 3344 from cnoeabs.peaks (4.31, 1.83, 29.86 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 86 + HB3 GLN 86 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASN 87 - HB3 GLN 86 far 0 82 0 - 5.0-5.2 Violated in 0 structures by 0.00 A. Peak 3345 from cnoeabs.peaks (2.27, 1.83, 29.86 ppm; 2.86 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 86 + HB3 GLN 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 86 + HB3 GLN 86 OK 91 92 100 99 3.0-3.0 3.0=91, 3353/3.0=35...(14) HG3 GLN 89 - HB3 GLN 86 far 0 79 0 - 6.2-10.2 HG2 GLN 89 - HB3 GLN 86 far 0 93 0 - 6.3-10.7 Violated in 0 structures by 0.00 A. Peak 3346 from cnoeabs.peaks (1.83, 1.83, 29.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 86 + HB3 GLN 86 OK 100 100 - 100 HB3 GLU 110 + HB3 GLU 110 OK 99 99 - 100 Peak 3347 from cnoeabs.peaks (2.29, 1.83, 29.86 ppm; 2.84 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 86 + HB3 GLN 86 OK 99 100 100 99 3.0-3.0 3.0=89, 3353/3.0=38...(15) HB2 GLN 86 + HB3 GLN 86 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 GLN 89 - HB3 GLN 86 far 0 59 0 - 6.3-10.7 HB2 ASP 26 - HB3 GLU 110 far 0 64 0 - 9.6-22.7 Violated in 0 structures by 0.00 A. Peak 3348 from cnoeabs.peaks (2.50, 1.83, 29.86 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 86 + HB3 GLN 86 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 TYR 39 - HB3 GLU 110 far 5 99 5 - 3.4-14.8 HE3 LYS 13 - HB3 GLU 110 far 0 89 0 - 7.8-18.3 HG3 GLN 81 - HB3 GLN 86 far 0 99 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 3351 from cnoeabs.peaks (8.09, 1.83, 29.86 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 87 + HB3 GLN 86 OK 100 100 100 100 3.3-3.6 4.6=100 H LEU 109 - HB3 GLU 110 far 7 66 10 - 3.7-7.0 Violated in 0 structures by 0.00 A. Peak 3352 from cnoeabs.peaks (7.56, 2.29, 34.08 ppm; 3.69 A): 1 out of 9 assignments used, quality = 1.00: * H GLN 86 + HG2 GLN 86 OK 100 100 100 100 3.1-3.6 7501/1.8=80, 3.0/3353=63...(15) H ALA 95 - HG2 GLN 96 far 0 71 0 - 5.1-6.2 H GLU 75 - HG2 GLN 72 far 0 55 0 - 6.0-6.2 H LEU 83 - HG2 GLN 86 far 0 65 0 - 6.3-6.6 H GLN 86 - HG2 GLN 89 far 0 59 0 - 6.4-11.6 HD22 ASN 87 - HG2 GLN 89 far 0 55 0 - 6.9-11.7 H LEU 83 - HG2 GLN 89 far 0 31 0 - 7.1-11.1 HD22 ASN 87 - HG2 GLN 86 far 0 99 0 - 7.4-7.8 H ASN 68 - HG2 GLN 72 far 0 45 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 3353 from cnoeabs.peaks (4.31, 2.29, 34.08 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 86 + HG2 GLN 86 OK 100 100 100 100 2.4-2.6 3362/1.8=69, 4.1=52...(18) HA ASN 87 - HG2 GLN 89 poor 8 42 20 - 3.0-8.6 HA ASN 87 - HG2 GLN 86 far 0 82 0 - 7.1-7.1 HA GLN 86 - HG2 GLN 89 far 0 59 0 - 7.5-12.4 Violated in 0 structures by 0.00 A. Peak 3354 from cnoeabs.peaks (2.27, 2.29, 34.08 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 86 + HG2 GLN 86 OK 92 92 - 100 HG2 GLN 96 + HG2 GLN 96 OK 87 87 - 100 HG2 GLN 72 + HG2 GLN 72 OK 52 52 - 100 HG2 GLN 89 + HG2 GLN 89 OK 50 50 - 100 Reference assignment not found: HB2 GLN 86 - HG2 GLN 86 Peak 3355 from cnoeabs.peaks (1.83, 2.29, 34.08 ppm; 3.10 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLN 86 + HG2 GLN 86 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 12 + HG2 GLN 72 OK 45 49 100 92 2.3-2.6 3.1/8775=36, 3.1/8076=20...(21) HB2 GLN 89 + HG2 GLN 89 OK 42 42 100 100 2.3-3.0 3.0=100 HB VAL 76 - HG2 GLN 72 far 0 69 0 - 5.9-6.1 HB VAL 103 - HG2 GLN 96 far 0 47 0 - 6.3-8.0 HB3 GLN 86 - HG2 GLN 89 far 0 59 0 - 6.3-10.7 HB VAL 103 - HG2 GLN 72 far 0 39 0 - 7.4-9.9 HB2 LEU 17 - HG2 GLN 89 far 0 42 0 - 8.8-14.5 HB ILE 67 - HG2 GLN 72 far 0 63 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3356 from cnoeabs.peaks (2.29, 2.29, 34.08 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 86 + HG2 GLN 86 OK 100 100 - 100 HG2 GLN 96 + HG2 GLN 96 OK 75 75 - 100 HG2 GLN 72 + HG2 GLN 72 OK 72 72 - 100 HG2 GLN 89 + HG2 GLN 89 OK 28 28 - 100 Peak 3357 from cnoeabs.peaks (2.50, 2.29, 34.08 ppm; 2.61 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 86 + HG2 GLN 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 86 - HG2 GLN 89 far 0 59 0 - 8.2-12.9 HG3 GLN 81 - HG2 GLN 86 far 0 99 0 - 8.4-11.1 HE3 LYS 13 - HG2 GLN 96 far 0 74 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 3358 from cnoeabs.peaks (6.76, 2.29, 34.08 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 86 + HG2 GLN 86 OK 100 100 100 100 4.1-4.1 3.5=100 HE21 GLN 89 + HG2 GLN 89 OK 45 45 100 100 2.1-3.6 3.5=100 HE21 GLN 89 - HG2 GLN 86 far 0 87 0 - 7.9-14.3 HE21 GLN 86 - HG2 GLN 89 far 0 59 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3359 from cnoeabs.peaks (7.27, 2.29, 34.08 ppm; 3.64 A): 2 out of 15 assignments used, quality = 1.00: * HE22 GLN 86 + HG2 GLN 86 OK 100 100 100 100 3.5-3.5 3.5=100 QE PHE 104 + HG2 GLN 96 OK 43 46 100 94 3.4-3.8 10958/3.5=40...(12) H PHE 99 - HG2 GLN 96 far 0 80 0 - 5.9-6.5 QD PHE 99 - HG2 GLN 72 far 0 52 0 - 6.4-7.1 QD PHE 99 - HG2 GLN 96 far 0 62 0 - 6.6-7.5 QE PHE 79 - HG2 GLN 86 far 0 70 0 - 6.6-7.9 H ASN 20 - HG2 GLN 89 far 0 28 0 - 7.8-13.7 QE PHE 104 - HG2 GLN 72 far 0 37 0 - 7.9-8.6 HZ PHE 79 - HG2 GLN 86 far 0 88 0 - 8.1-9.6 HE22 GLN 86 - HG2 GLN 89 far 0 59 0 - 8.2-12.1 QE PHE 79 - HG2 GLN 96 far 0 54 0 - 8.4-9.9 QE PHE 79 - HG2 GLN 89 far 0 34 0 - 9.2-11.3 H PHE 99 - HG2 GLN 72 far 0 68 0 - 9.4-10.2 HZ PHE 79 - HG2 GLN 89 far 0 46 0 - 9.6-11.7 HE3 TRP 80 - HG2 GLN 89 far 0 39 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 3360 from cnoeabs.peaks (8.09, 2.29, 34.08 ppm; 5.07 A increased from 4.51 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 87 + HG2 GLN 86 OK 100 100 100 100 5.0-5.0 4.9=100 H ASN 87 - HG2 GLN 89 poor 5 59 40 22 4.7-10.2 7549/10069=18...(3) Violated in 0 structures by 0.00 A. Peak 3361 from cnoeabs.peaks (7.56, 2.50, 34.08 ppm; 3.71 A): 1 out of 7 assignments used, quality = 1.00: * H GLN 86 + HG3 GLN 86 OK 100 100 100 100 2.2-2.8 7501=100, 3352/1.8=74...(15) H LEU 83 - HG3 GLN 86 far 0 65 0 - 4.6-4.9 H LEU 83 - HG3 GLN 81 far 0 59 0 - 4.8-7.2 H GLN 86 - HG3 GLN 81 far 0 96 0 - 6.7-9.3 HD21 ASN 78 - HG3 GLN 81 far 0 96 0 - 7.3-10.2 HD22 ASN 87 - HG3 GLN 86 far 0 99 0 - 8.1-8.3 H ARG 44 - HG3 GLN 81 far 0 63 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (4.31, 2.50, 34.08 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 86 + HG3 GLN 86 OK 100 100 100 100 3.3-3.4 3330=95, 3353/1.8=73...(16) HA ASN 87 - HG3 GLN 86 far 0 82 0 - 6.6-6.8 HA GLN 86 - HG3 GLN 81 far 0 96 0 - 9.2-12.0 HA ASN 87 - HG3 GLN 81 far 0 76 0 - 9.5-12.2 Violated in 1 structures by 0.00 A. Peak 3363 from cnoeabs.peaks (2.27, 2.50, 34.08 ppm; 2.66 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLN 86 + HG3 GLN 86 OK 96 100 100 96 3.0-3.0 3.0=73, 3.0/3362=32...(14) HG2 GLN 86 + HG3 GLN 86 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 GLN 89 - HG3 GLN 86 far 0 93 0 - 8.2-12.9 HG3 GLN 89 - HG3 GLN 86 far 0 79 0 - 8.2-12.4 HG2 GLN 86 - HG3 GLN 81 far 0 85 0 - 8.4-11.1 HB2 GLN 86 - HG3 GLN 81 far 0 96 0 - 9.7-12.4 HB3 GLU 75 - HG3 GLN 81 far 0 96 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 3364 from cnoeabs.peaks (1.83, 2.50, 34.08 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 86 + HG3 GLN 86 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLN 86 - HG3 GLN 81 far 0 96 0 - 8.2-11.0 HB VAL 76 - HG3 GLN 81 far 0 91 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 3365 from cnoeabs.peaks (2.29, 2.50, 34.08 ppm; 2.49 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 86 + HG3 GLN 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 86 + HG3 GLN 86 OK 84 92 100 92 3.0-3.0 3.0=60, 3.0/3362=27...(14) HG2 GLN 89 - HG3 GLN 86 far 0 59 0 - 8.2-12.9 HG2 GLN 86 - HG3 GLN 81 far 0 96 0 - 8.4-11.1 HB2 GLN 86 - HG3 GLN 81 far 0 85 0 - 9.7-12.4 HB3 GLU 75 - HG3 GLN 81 far 0 91 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 3366 from cnoeabs.peaks (2.50, 2.50, 34.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 86 + HG3 GLN 86 OK 100 100 - 100 HG3 GLN 81 + HG3 GLN 81 OK 95 95 - 100 Peak 3367 from cnoeabs.peaks (6.76, 2.50, 34.08 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 86 + HG3 GLN 86 OK 100 100 100 100 3.5-3.6 3.5=100 HE21 GLN 89 - HG3 GLN 86 far 0 87 0 - 6.9-13.7 HD22 ASN 78 - HG3 GLN 81 far 0 90 0 - 7.3-10.0 HE21 GLN 86 - HG3 GLN 81 far 0 96 0 - 8.3-11.7 HE21 GLN 89 - HG3 GLN 81 far 0 80 0 - 8.6-17.8 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (7.27, 2.50, 34.08 ppm; 3.49 A): 1 out of 10 assignments used, quality = 1.00: * HE22 GLN 86 + HG3 GLN 86 OK 100 100 100 100 2.3-2.5 7519=100, 7503/7501=29...(12) HE3 TRP 80 - HG3 GLN 81 far 7 72 10 - 3.9-5.2 HH2 TRP 42 - HG3 GLN 81 far 0 96 0 - 4.9-7.7 QE PHE 79 - HG3 GLN 86 far 0 70 0 - 5.7-7.0 HZ PHE 79 - HG3 GLN 86 far 0 88 0 - 7.2-8.5 HE22 GLN 86 - HG3 GLN 81 far 0 96 0 - 7.3-10.6 QE PHE 79 - HG3 GLN 81 far 0 63 0 - 7.8-10.8 HZ PHE 79 - HG3 GLN 81 far 0 82 0 - 9.6-12.9 H ASN 20 - HG3 GLN 81 far 0 54 0 - 9.6-11.4 HE3 TRP 80 - HG3 GLN 86 far 0 79 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 3369 from cnoeabs.peaks (8.09, 2.50, 34.08 ppm; 4.83 A increased from 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 87 + HG3 GLN 86 OK 100 100 100 100 4.5-4.7 4.9=97, 7522/7501=86...(8) H ASN 87 - HG3 GLN 81 far 0 96 0 - 8.1-10.8 Violated in 0 structures by 0.00 A. Peak 3370 from cnoeabs.peaks (8.09, 4.28, 53.92 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + HA ASN 87 OK 100 100 100 100 2.3-2.3 7530=100, 7549/7550=39...(13) Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (4.28, 4.28, 53.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 87 + HA ASN 87 OK 100 100 - 100 Peak 3372 from cnoeabs.peaks (2.69, 4.28, 53.92 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 87 + HA ASN 87 OK 100 100 100 100 2.9-3.0 3.0=100 HE2 LYS 84 - HA ASN 87 far 0 100 0 - 6.5-8.9 HB2 ASP 82 - HA ASN 87 far 0 98 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 3373 from cnoeabs.peaks (3.11, 4.28, 53.92 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 87 + HA ASN 87 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 3375 from cnoeabs.peaks (7.55, 4.28, 53.92 ppm; 4.27 A increased from 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 87 + HA ASN 87 OK 100 100 100 100 4.1-4.2 7544=99, 7546/3385=81...(6) H GLN 86 + HA ASN 87 OK 92 99 100 93 4.4-4.8 7522/7530=85...(3) H LEU 83 - HA ASN 87 far 0 85 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 3376 from cnoeabs.peaks (8.04, 4.28, 53.92 ppm; 3.24 A increased from 2.88 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + HA ASN 87 OK 100 100 100 100 3.0-3.1 7550=99, 7549/7530=65...(7) Violated in 0 structures by 0.00 A. Peak 3377 from cnoeabs.peaks (8.09, 2.69, 36.95 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.99: * H ASN 87 + HB2 ASN 87 OK 99 100 100 99 3.2-3.3 7531=87, 7530/3378=61...(6) Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (4.28, 2.69, 36.95 ppm; 2.96 A increased from 2.79 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 87 + HB2 ASN 87 OK 100 100 100 100 2.9-3.0 3372=97, 3385/1.8=68...(11) HA GLN 86 - HB2 ASN 87 far 0 82 0 - 3.9-4.0 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (2.69, 2.69, 36.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 87 + HB2 ASN 87 OK 100 100 - 100 Peak 3380 from cnoeabs.peaks (3.11, 2.69, 36.95 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 87 + HB2 ASN 87 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (6.82, 2.69, 36.95 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 87 + HB2 ASN 87 OK 100 100 100 100 3.4-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 3382 from cnoeabs.peaks (7.55, 2.69, 36.95 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 87 + HB2 ASN 87 OK 100 100 100 100 2.1-2.2 7545=100, 7546/1.8=76...(5) H GLN 86 - HB2 ASN 87 far 0 99 0 - 4.9-5.3 H LEU 83 - HB2 ASN 87 far 0 85 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 3383 from cnoeabs.peaks (8.04, 2.69, 36.95 ppm; 4.08 A increased from 3.44 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + HB2 ASN 87 OK 100 100 100 100 4.0-4.1 4.3=85, 7549/7531=76...(6) Violated in 0 structures by 0.00 A. Peak 3384 from cnoeabs.peaks (8.09, 3.11, 36.95 ppm; 4.28 A increased from 3.43 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 87 + HB3 ASN 87 OK 100 100 100 100 4.1-4.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 3385 from cnoeabs.peaks (4.28, 3.11, 36.95 ppm; 2.94 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 87 + HB3 ASN 87 OK 100 100 100 100 2.7-2.8 3.0=95, 3378/1.8=66...(12) HA GLN 86 - HB3 ASN 87 far 0 82 0 - 5.4-5.5 HA VAL 102 - HB3 ASN 71 far 0 58 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 3386 from cnoeabs.peaks (2.69, 3.11, 36.95 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 87 + HB3 ASN 87 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 84 - HB3 ASN 87 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 3387 from cnoeabs.peaks (3.11, 3.11, 36.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 87 + HB3 ASN 87 OK 100 100 - 100 HB3 ASN 71 + HB3 ASN 71 OK 98 98 - 100 Peak 3388 from cnoeabs.peaks (6.82, 3.11, 36.95 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 87 + HB3 ASN 87 OK 100 100 100 100 3.8-3.9 3.5=100 HD21 ASN 71 + HB3 ASN 71 OK 91 91 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 3389 from cnoeabs.peaks (7.55, 3.11, 36.95 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 87 + HB3 ASN 87 OK 100 100 100 100 3.0-3.1 3.5=100 H GLU 75 - HB3 ASN 71 far 0 92 0 - 5.7-6.8 H GLN 86 - HB3 ASN 87 far 0 99 0 - 6.0-6.4 HD21 ASN 78 - HB3 ASN 71 far 0 93 0 - 9.1-10.4 H LEU 83 - HB3 ASN 87 far 0 85 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 3390 from cnoeabs.peaks (8.04, 3.11, 36.95 ppm; 4.31 A increased from 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + HB3 ASN 87 OK 100 100 100 100 4.1-4.2 4.3=100 Violated in 0 structures by 0.00 A. Peak 3391 from cnoeabs.peaks (8.04, 4.50, 54.47 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + HA LYS 88 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 3392 from cnoeabs.peaks (4.50, 4.50, 54.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 88 + HA LYS 88 OK 100 100 - 100 Peak 3393 from cnoeabs.peaks (1.39, 4.50, 54.47 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 88 + HA LYS 88 OK 100 100 100 100 2.4-2.7 3.0=100 HD3 LYS 84 - HA LYS 88 far 0 92 0 - 8.3-11.8 HG3 LYS 84 - HA LYS 88 far 0 96 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 3394 from cnoeabs.peaks (1.69, 4.50, 54.47 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 88 + HA LYS 88 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (1.20, 4.50, 54.47 ppm; 3.71 A increased from 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 88 + HA LYS 88 OK 100 100 100 100 2.3-3.6 3425=98, 1.8/3436=69...(28) HD2 LYS 84 - HA LYS 88 far 0 100 0 - 8.2-11.9 HG2 LYS 84 - HA LYS 88 far 0 99 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 3396 from cnoeabs.peaks (1.32, 4.50, 54.47 ppm; 3.99 A increased from 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 88 + HA LYS 88 OK 100 100 100 100 2.5-3.8 3.9=100 HG LEU 83 - HA LYS 88 far 0 77 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 3397 from cnoeabs.peaks (1.52, 4.50, 54.47 ppm; 4.33 A increased from 4.08 A): 2 out of 4 assignments used, quality = 1.00: HD3 LYS 88 + HA LYS 88 OK 100 100 100 100 3.0-4.3 3.0/3395=73, 3.0/3436=71...(37) * HD2 LYS 88 + HA LYS 88 OK 100 100 100 100 3.0-4.8 3.0/3395=73, 3.0/3436=71...(37) HB3 LEU 83 - HA LYS 88 far 7 65 10 - 4.7-6.5 HB3 LYS 84 - HA LYS 88 far 0 100 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 3398 from cnoeabs.peaks (1.52, 4.50, 54.47 ppm; 4.33 A increased from 4.08 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 88 + HA LYS 88 OK 100 100 100 100 3.0-4.3 3.0/3395=73, 3.0/3436=71...(37) HD2 LYS 88 + HA LYS 88 OK 100 100 100 100 3.0-4.8 3.0/3395=73, 3.0/3436=71...(37) HB3 LEU 83 - HA LYS 88 far 7 65 10 - 4.7-6.5 HB3 LYS 84 - HA LYS 88 far 0 100 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 3399 from cnoeabs.peaks (2.88, 4.50, 54.47 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 88 + HA LYS 88 OK 100 100 100 100 3.7-5.6 5.8=100 HE3 LYS 88 + HA LYS 88 OK 100 100 100 100 3.8-5.6 5.8=100 HB2 ASN 85 - HA LYS 88 far 0 92 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 3400 from cnoeabs.peaks (2.88, 4.50, 54.47 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 88 + HA LYS 88 OK 100 100 100 100 3.8-5.6 5.8=100 HE2 LYS 88 + HA LYS 88 OK 100 100 100 100 3.7-5.6 5.8=100 HB2 ASN 85 - HA LYS 88 far 0 96 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 3401 from cnoeabs.peaks (8.32, 4.50, 54.47 ppm; 3.58 A increased from 3.37 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + HA LYS 88 OK 100 100 100 100 2.3-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3402 from cnoeabs.peaks (8.04, 1.39, 35.33 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + HB2 LYS 88 OK 100 100 100 100 3.5-3.6 7556=100, 3413/1.8=81...(17) Violated in 0 structures by 0.00 A. Peak 3403 from cnoeabs.peaks (4.50, 1.39, 35.33 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLN 89 + HB2 LYS 88 OK 27 100 30 91 4.1-5.1 ~7569=32, ~3423=32...(12) Violated in 0 structures by 0.00 A. Peak 3404 from cnoeabs.peaks (1.39, 1.39, 35.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 88 + HB2 LYS 88 OK 100 100 - 100 Peak 3405 from cnoeabs.peaks (1.69, 1.39, 35.33 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 88 + HB2 LYS 88 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3406 from cnoeabs.peaks (1.20, 1.39, 35.33 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 84 - HB2 LYS 88 far 0 100 0 - 7.8-11.9 HG2 LYS 84 - HB2 LYS 88 far 0 99 0 - 7.9-11.2 Violated in 0 structures by 0.00 A. Peak 3407 from cnoeabs.peaks (1.32, 1.39, 35.33 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.7-3.0 3.0=100 HG LEU 83 - HB2 LYS 88 far 0 77 0 - 4.8-5.6 HB3 LYS 98 - HB2 LYS 88 far 0 99 0 - 9.5-11.2 QB ALA 93 - HB2 LYS 88 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3408 from cnoeabs.peaks (1.52, 1.39, 35.33 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.0-3.5 3.7=89, 3.0/3426=58...(48) HD3 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.2-3.3 3.7=89, 3.0/3426=58...(48) HB3 LEU 83 - HB2 LYS 88 far 7 65 10 - 3.3-5.4 HB3 LYS 84 - HB2 LYS 88 far 0 100 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 3409 from cnoeabs.peaks (1.52, 1.39, 35.33 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.0-3.5 3.7=89, 3.0/3426=58...(48) * HD3 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.2-3.3 3.7=89, 3.0/3426=58...(48) HB3 LEU 83 - HB2 LYS 88 far 7 65 10 - 3.3-5.4 HB3 LYS 84 - HB2 LYS 88 far 0 100 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 3410 from cnoeabs.peaks (2.88, 1.39, 35.33 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 88 + HB2 LYS 88 OK 100 100 100 100 3.4-4.6 4.8=100 HE3 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.6-4.5 4.8=100 HB2 ASN 85 - HB2 LYS 88 far 0 92 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 3411 from cnoeabs.peaks (2.88, 1.39, 35.33 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 88 + HB2 LYS 88 OK 100 100 100 100 2.6-4.5 4.8=100 HE2 LYS 88 + HB2 LYS 88 OK 100 100 100 100 3.4-4.6 4.8=100 HB2 ASN 85 - HB2 LYS 88 far 0 96 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 3412 from cnoeabs.peaks (8.32, 1.39, 35.33 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + HB2 LYS 88 OK 100 100 100 100 2.1-3.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 3413 from cnoeabs.peaks (8.04, 1.69, 35.33 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 88 + HB3 LYS 88 OK 100 100 100 100 2.2-2.7 7557=85, 7556/1.8=68...(20) H GLN 50 - HB VAL 25 far 0 93 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 3414 from cnoeabs.peaks (4.50, 1.69, 35.33 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 88 + HB3 LYS 88 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 89 - HB3 LYS 88 far 0 100 0 - 4.0-5.0 HA TYR 39 - HB VAL 25 far 0 74 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (1.39, 1.69, 35.33 ppm; 2.65 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LYS 88 + HB3 LYS 88 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 70 - HB VAL 25 far 0 56 0 - 6.0-6.5 HD3 LYS 84 - HB3 LYS 88 far 0 92 0 - 6.2-10.2 HG3 LYS 84 - HB3 LYS 88 far 0 96 0 - 6.4-9.5 HG13 ILE 11 - HB VAL 25 far 0 65 0 - 7.4-9.4 HB3 LYS 52 - HB VAL 25 far 0 93 0 - 7.7-9.4 HD3 LYS 58 - HB VAL 25 far 0 67 0 - 7.7-8.6 QB ALA 47 - HB VAL 25 far 0 56 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 3416 from cnoeabs.peaks (1.69, 1.69, 35.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 88 + HB3 LYS 88 OK 100 100 - 100 HB VAL 25 + HB VAL 25 OK 84 84 - 100 Peak 3417 from cnoeabs.peaks (1.20, 1.69, 35.33 ppm; 3.09 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 88 + HB3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 12 - HB VAL 25 far 0 86 0 - 5.3-5.5 HD2 LYS 84 - HB3 LYS 88 far 0 100 0 - 6.3-10.3 HG2 LYS 84 - HB3 LYS 88 far 0 99 0 - 6.6-9.5 HG13 ILE 23 - HB VAL 25 far 0 63 0 - 7.7-8.0 HD3 LYS 52 - HB VAL 25 far 0 51 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3418 from cnoeabs.peaks (1.32, 1.69, 35.33 ppm; 2.96 A): 1 out of 4 assignments used, quality = 0.99: * HG3 LYS 88 + HB3 LYS 88 OK 99 100 100 99 2.2-3.0 3.0=99 HG LEU 83 - HB3 LYS 88 far 0 77 0 - 4.0-4.3 HB2 LYS 13 - HB VAL 25 far 0 89 0 - 6.6-8.3 HG2 ARG 66 - HB VAL 25 far 0 67 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 3419 from cnoeabs.peaks (1.52, 1.69, 35.33 ppm; 3.78 A increased from 3.19 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 88 + HB3 LYS 88 OK 100 100 100 100 2.5-3.7 3.7=100 HD3 LYS 88 + HB3 LYS 88 OK 100 100 100 100 2.7-4.1 3.7=100 HB3 LEU 83 + HB3 LYS 88 OK 65 65 100 100 1.9-3.9 3.1/10565=68...(19) HB3 LEU 51 - HB VAL 25 far 0 54 0 - 4.5-5.8 QB ALA 73 - HB VAL 25 far 0 93 0 - 5.8-6.2 HG LEU 12 - HB VAL 25 far 0 92 0 - 6.3-6.6 HB3 LYS 84 - HB3 LYS 88 far 0 100 0 - 7.5-8.1 HB3 LYS 58 - HB VAL 25 far 0 63 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3420 from cnoeabs.peaks (1.52, 1.69, 35.33 ppm; 3.78 A increased from 3.19 A): 3 out of 8 assignments used, quality = 1.00: HD2 LYS 88 + HB3 LYS 88 OK 100 100 100 100 2.5-3.7 3.7=100 * HD3 LYS 88 + HB3 LYS 88 OK 100 100 100 100 2.7-4.1 3.7=100 HB3 LEU 83 + HB3 LYS 88 OK 65 65 100 100 1.9-3.9 3.1/10565=68...(19) HB3 LEU 51 - HB VAL 25 far 0 54 0 - 4.5-5.8 QB ALA 73 - HB VAL 25 far 0 93 0 - 5.8-6.2 HG LEU 12 - HB VAL 25 far 0 92 0 - 6.3-6.6 HB3 LYS 84 - HB3 LYS 88 far 0 100 0 - 7.5-8.1 HB3 LYS 58 - HB VAL 25 far 0 63 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (2.88, 1.69, 35.33 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 88 + HB3 LYS 88 OK 100 100 100 100 4.0-4.8 4.8=76, 3.8/3418=74...(44) HE3 LYS 88 + HB3 LYS 88 OK 100 100 100 100 4.0-4.3 4.8=76, 3.8/3418=74...(43) HB2 ASN 85 - HB3 LYS 88 far 0 92 0 - 7.2-9.6 HE2 LYS 58 - HB VAL 25 far 0 86 0 - 7.8-8.6 HD3 ARG 66 - HB VAL 25 far 0 75 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 3422 from cnoeabs.peaks (2.88, 1.69, 35.33 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 88 + HB3 LYS 88 OK 100 100 100 100 4.0-4.3 4.8=76, 3.8/3418=74...(43) HE2 LYS 88 + HB3 LYS 88 OK 100 100 100 100 4.0-4.8 4.8=76, 3.8/3418=74...(44) HB2 ASN 85 - HB3 LYS 88 far 0 96 0 - 7.2-9.6 HE2 LYS 58 - HB VAL 25 far 0 82 0 - 7.8-8.6 HD3 ARG 66 - HB VAL 25 far 0 81 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 3423 from cnoeabs.peaks (8.32, 1.69, 35.33 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + HB3 LYS 88 OK 100 100 100 100 1.9-4.1 7569=100, 7570/3.0=51...(12) Violated in 1 structures by 0.00 A. Peak 3424 from cnoeabs.peaks (8.04, 1.20, 24.94 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.2-3.9 7558=100, 7559/1.8=85...(20) H GLN 50 - HG13 ILE 23 far 0 45 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 3425 from cnoeabs.peaks (4.50, 1.20, 24.94 ppm; 3.73 A increased from 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.3-3.6 3395=100, 3436/1.8=70...(27) HA TYR 39 - HG13 ILE 23 far 0 32 0 - 5.4-5.6 HA GLN 89 - HG2 LYS 88 far 0 100 0 - 6.0-6.6 HA ALA 45 - HG13 ILE 23 far 0 41 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (1.39, 1.20, 24.94 ppm; 2.91 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.5-3.0 3.0=94, ~3418=37...(29) QB ALA 47 - HG13 ILE 23 poor 15 23 100 63 1.8-2.0 8303/2.1=34, 8305=22...(8) HG3 LYS 84 - HG2 LYS 88 far 0 96 0 - 6.8-11.4 HD3 LYS 84 - HG2 LYS 88 far 0 92 0 - 7.9-13.0 HB3 LYS 52 - HG13 ILE 23 far 0 45 0 - 8.9-10.4 HG LEU 70 - HG13 ILE 23 far 0 23 0 - 9.3-9.7 HG LEU 17 - HG13 ILE 23 far 0 44 0 - 9.8-10.5 Violated in 16 structures by 0.04 A. Peak 3427 from cnoeabs.peaks (1.69, 1.20, 24.94 ppm; 3.03 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 23 + HG13 ILE 23 OK 28 28 100 100 1.8-1.8 1.8=100 HB VAL 25 - HG13 ILE 23 far 0 39 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 3428 from cnoeabs.peaks (1.20, 1.20, 24.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 88 + HG2 LYS 88 OK 100 100 - 100 HG13 ILE 23 + HG13 ILE 23 OK 27 27 - 100 Peak 3429 from cnoeabs.peaks (1.32, 1.20, 24.94 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 88 + HG2 LYS 88 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 83 - HG2 LYS 88 far 0 77 0 - 4.6-6.9 HB2 LYS 13 - HG13 ILE 23 far 0 42 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 3430 from cnoeabs.peaks (1.52, 1.20, 24.94 ppm; 2.94 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=97, 3451/1.8=34...(38) HD3 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.2-2.7 3.0=97, 3451/1.8=34...(38) HB3 LEU 83 - HG2 LYS 88 far 3 65 5 - 3.3-6.8 HB3 LEU 51 - HG13 ILE 23 far 0 23 0 - 4.4-5.7 QB ALA 73 - HG13 ILE 23 far 0 45 0 - 4.6-4.7 HG LEU 12 - HG13 ILE 23 far 0 44 0 - 6.8-7.1 HB3 LYS 84 - HG2 LYS 88 far 0 100 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. Peak 3431 from cnoeabs.peaks (1.52, 1.20, 24.94 ppm; 2.94 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=97, 3451/1.8=34...(38) * HD3 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.2-2.7 3.0=97, 3451/1.8=34...(38) HB3 LEU 83 - HG2 LYS 88 far 3 65 5 - 3.3-6.8 HB3 LEU 51 - HG13 ILE 23 far 0 23 0 - 4.4-5.7 QB ALA 73 - HG13 ILE 23 far 0 45 0 - 4.6-4.7 HG LEU 12 - HG13 ILE 23 far 0 44 0 - 6.8-7.1 HB3 LYS 84 - HG2 LYS 88 far 0 100 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. Peak 3432 from cnoeabs.peaks (2.88, 1.20, 24.94 ppm; 3.45 A increased from 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.7-3.7 3.8=75, 3473/1.8=45...(34) HE3 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.7-3.9 3.8=75, 3473/1.8=45...(33) HB2 ASN 85 - HG2 LYS 88 far 0 92 0 - 6.5-10.6 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (2.88, 1.20, 24.94 ppm; 3.45 A increased from 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.7-3.9 3.8=75, 3484/1.8=45...(33) HE2 LYS 88 + HG2 LYS 88 OK 100 100 100 100 2.7-3.7 3.8=75, 3484/1.8=45...(34) HB2 ASN 85 - HG2 LYS 88 far 0 96 0 - 6.5-10.6 Violated in 0 structures by 0.00 A. Peak 3434 from cnoeabs.peaks (8.32, 1.20, 24.94 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 89 + HG2 LYS 88 OK 100 100 100 100 3.5-4.6 7570=100, 7569/3.0=76...(9) H ILE 77 - HG13 ILE 23 far 0 35 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 3435 from cnoeabs.peaks (8.04, 1.32, 24.94 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.5-3.3 7559=100, 7558/1.8=72...(23) Violated in 0 structures by 0.00 A. Peak 3436 from cnoeabs.peaks (4.50, 1.32, 24.94 ppm; 3.86 A increased from 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.5-3.8 3.9=96, 3395/1.8=78...(29) HA GLN 89 - HG3 LYS 88 far 0 100 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 3437 from cnoeabs.peaks (1.39, 1.32, 24.94 ppm; 3.06 A increased from 2.58 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 84 - HG3 LYS 88 far 0 92 0 - 7.7-12.0 HG3 LYS 84 - HG3 LYS 88 far 0 96 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 3438 from cnoeabs.peaks (1.69, 1.32, 24.94 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3439 from cnoeabs.peaks (1.20, 1.32, 24.94 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 88 + HG3 LYS 88 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 84 - HG3 LYS 88 far 0 99 0 - 7.4-10.7 HD2 LYS 84 - HG3 LYS 88 far 0 100 0 - 8.3-12.0 Violated in 0 structures by 0.00 A. Peak 3440 from cnoeabs.peaks (1.32, 1.32, 24.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 88 + HG3 LYS 88 OK 100 100 - 100 Peak 3441 from cnoeabs.peaks (1.52, 1.32, 24.94 ppm; 2.93 A increased from 2.76 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.6-2.8 3.0=96, 3.7/3418=35...(39) HD3 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.9-3.0 3.0=96, 3.7/3418=35...(39) HB3 LEU 83 - HG3 LYS 88 far 0 65 0 - 3.6-6.2 HB3 LYS 84 - HG3 LYS 88 far 0 100 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 3442 from cnoeabs.peaks (1.52, 1.32, 24.94 ppm; 2.93 A increased from 2.76 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.6-2.8 3.0=96, 3.7/3418=35...(39) * HD3 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.9-3.0 3.0=96, 3.7/3418=35...(39) HB3 LEU 83 - HG3 LYS 88 far 0 65 0 - 3.6-6.2 HB3 LYS 84 - HG3 LYS 88 far 0 100 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 3443 from cnoeabs.peaks (2.88, 1.32, 24.94 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.1-2.8 3.8=63, 1.8/3484=42...(36) HE3 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.3-3.0 3.8=63, 1.8/3473=42...(34) HB2 ASN 85 - HG3 LYS 88 far 0 92 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 3444 from cnoeabs.peaks (2.88, 1.32, 24.94 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.3-3.0 3.8=63, 1.8/3473=42...(34) HE2 LYS 88 + HG3 LYS 88 OK 100 100 100 100 2.1-2.8 3.8=63, 1.8/3484=42...(36) HB2 ASN 85 - HG3 LYS 88 far 0 96 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 3445 from cnoeabs.peaks (8.32, 1.32, 24.94 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + HG3 LYS 88 OK 100 100 100 100 4.2-5.0 7570/1.8=87...(9) Violated in 1 structures by 0.00 A. Peak 3446 from cnoeabs.peaks (8.04, 1.52, 28.76 ppm; 4.92 A): 2 out of 2 assignments used, quality = 1.00: H LYS 88 + HD3 LYS 88 OK 100 100 100 100 4.2-5.3 7559/3.0=86, 7558/3.0=81...(25) * H LYS 88 + HD2 LYS 88 OK 100 100 100 100 4.4-4.6 7559/3.0=86, 7558/3.0=81...(25) Violated in 0 structures by 0.00 A. Peak 3447 from cnoeabs.peaks (4.50, 1.52, 28.76 ppm; 4.32 A increased from 4.07 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 88 + HD3 LYS 88 OK 100 100 100 100 3.0-4.3 3395/3.0=73, 3436/3.0=70...(37) * HA LYS 88 + HD2 LYS 88 OK 100 100 100 100 3.0-4.8 3395/3.0=73, 3436/3.0=70...(37) HA GLN 89 - HD2 LYS 88 far 0 100 0 - 5.9-7.8 HA GLN 89 - HD3 LYS 88 far 0 100 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (1.39, 1.52, 28.76 ppm; 3.43 A increased from 3.05 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.0-3.5 3.7=79, 3426/3.0=54...(48) HB2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.2-3.3 3.7=79, 3426/3.0=54...(48) HG3 LYS 84 - HD2 LYS 88 far 0 96 0 - 8.4-12.1 HG3 LYS 84 - HD3 LYS 88 far 0 96 0 - 8.5-12.0 HD3 LYS 84 - HD2 LYS 88 far 0 92 0 - 9.2-13.4 HD3 LYS 84 - HD3 LYS 88 far 0 92 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 3449 from cnoeabs.peaks (1.69, 1.52, 28.76 ppm; 3.70 A increased from 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 88 + HD2 LYS 88 OK 99 100 100 99 2.5-3.7 3.7=99 HB3 LYS 88 + HD3 LYS 88 OK 99 100 100 99 2.7-4.1 3.7=99 Violated in 0 structures by 0.00 A. Peak 3450 from cnoeabs.peaks (1.20, 1.52, 28.76 ppm; 2.92 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3462=34...(38) HG2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.2-2.7 3.0=95, 1.8/3451=34...(38) HG2 LYS 84 - HD2 LYS 88 far 0 99 0 - 8.3-12.3 HD2 LYS 84 - HD3 LYS 88 far 0 100 0 - 8.6-13.7 HD2 LYS 84 - HD2 LYS 88 far 0 100 0 - 8.7-13.5 HG2 LYS 84 - HD3 LYS 88 far 0 99 0 - 8.8-12.4 Violated in 0 structures by 0.00 A. Peak 3451 from cnoeabs.peaks (1.32, 1.52, 28.76 ppm; 2.89 A increased from 2.72 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.6-2.8 3.0=92, 3418/3.7=34...(39) HG3 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.9-3.0 3.0=92, 3418/3.7=34...(39) HG LEU 83 - HD2 LYS 88 far 0 77 0 - 4.6-6.6 HG LEU 83 - HD3 LYS 88 far 0 77 0 - 4.7-7.6 HB3 LYS 98 - HD3 LYS 88 far 0 99 0 - 8.6-12.1 HB3 LYS 98 - HD2 LYS 88 far 0 99 0 - 9.3-10.8 QB ALA 93 - HD3 LYS 88 far 0 99 0 - 9.4-12.0 QB ALA 93 - HD2 LYS 88 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3452 from cnoeabs.peaks (1.52, 1.52, 28.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 88 + HD3 LYS 88 OK 100 100 - 100 * HD2 LYS 88 + HD2 LYS 88 OK 100 100 - 100 Peak 3453 from cnoeabs.peaks (1.52, 1.52, 28.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 88 + HD3 LYS 88 OK 100 100 - 100 HD2 LYS 88 + HD2 LYS 88 OK 100 100 - 100 Reference assignment not found: HD3 LYS 88 - HD2 LYS 88 Peak 3454 from cnoeabs.peaks (2.88, 1.52, 28.76 ppm; 3.11 A increased from 2.76 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 85 - HD2 LYS 88 far 0 92 0 - 7.6-10.9 HB2 ASN 85 - HD3 LYS 88 far 0 92 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 3455 from cnoeabs.peaks (2.88, 1.52, 28.76 ppm; 3.11 A increased from 2.76 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 85 - HD2 LYS 88 far 0 96 0 - 7.6-10.9 HB2 ASN 85 - HD3 LYS 88 far 0 96 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 3456 from cnoeabs.peaks (8.32, 1.52, 28.76 ppm; 5.78 A increased from 5.13 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 89 + HD2 LYS 88 OK 100 100 100 100 3.3-5.8 7570/3.0=89, 7569/3.7=88...(8) H GLN 89 + HD3 LYS 88 OK 100 100 100 100 4.3-5.8 7570/3.0=89, 7569/3.7=88...(7) Violated in 0 structures by 0.00 A. Peak 3457 from cnoeabs.peaks (8.04, 1.52, 28.76 ppm; 4.92 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 88 + HD3 LYS 88 OK 100 100 100 100 4.2-5.3 7559/3.0=86, 7558/3.0=81...(25) H LYS 88 + HD2 LYS 88 OK 100 100 100 100 4.4-4.6 7559/3.0=86, 7558/3.0=81...(25) Violated in 0 structures by 0.00 A. Peak 3458 from cnoeabs.peaks (4.50, 1.52, 28.76 ppm; 4.32 A increased from 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 88 + HD3 LYS 88 OK 100 100 100 100 3.0-4.3 3395/3.0=73, 3436/3.0=70...(37) HA LYS 88 + HD2 LYS 88 OK 100 100 100 100 3.0-4.8 3395/3.0=73, 3436/3.0=70...(37) HA GLN 89 - HD2 LYS 88 far 0 100 0 - 5.9-7.8 HA GLN 89 - HD3 LYS 88 far 0 100 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 3459 from cnoeabs.peaks (1.39, 1.52, 28.76 ppm; 3.43 A increased from 3.05 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.0-3.5 3.7=79, 3426/3.0=54...(48) * HB2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.2-3.3 3.7=79, 3426/3.0=54...(48) HG3 LYS 84 - HD2 LYS 88 far 0 96 0 - 8.4-12.1 HG3 LYS 84 - HD3 LYS 88 far 0 96 0 - 8.5-12.0 HD3 LYS 84 - HD2 LYS 88 far 0 92 0 - 9.2-13.4 HD3 LYS 84 - HD3 LYS 88 far 0 92 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (1.69, 1.52, 28.76 ppm; 3.70 A increased from 3.29 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 88 + HD2 LYS 88 OK 99 100 100 99 2.5-3.7 3.7=99 * HB3 LYS 88 + HD3 LYS 88 OK 99 100 100 99 2.7-4.1 3.7=99 Violated in 0 structures by 0.00 A. Peak 3461 from cnoeabs.peaks (1.20, 1.52, 28.76 ppm; 2.92 A): 2 out of 6 assignments used, quality = 1.00: HG2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3462=34...(38) * HG2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.2-2.7 3.0=95, 1.8/3451=34...(38) HG2 LYS 84 - HD2 LYS 88 far 0 99 0 - 8.3-12.3 HD2 LYS 84 - HD3 LYS 88 far 0 100 0 - 8.6-13.7 HD2 LYS 84 - HD2 LYS 88 far 0 100 0 - 8.7-13.5 HG2 LYS 84 - HD3 LYS 88 far 0 99 0 - 8.8-12.4 Violated in 0 structures by 0.00 A. Peak 3462 from cnoeabs.peaks (1.32, 1.52, 28.76 ppm; 2.89 A increased from 2.72 A): 2 out of 8 assignments used, quality = 1.00: HG3 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.6-2.8 3.0=92, 3418/3.7=34...(39) * HG3 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.9-3.0 3.0=92, 3418/3.7=34...(39) HG LEU 83 - HD2 LYS 88 far 0 77 0 - 4.6-6.6 HG LEU 83 - HD3 LYS 88 far 0 77 0 - 4.7-7.6 HB3 LYS 98 - HD3 LYS 88 far 0 99 0 - 8.6-12.1 HB3 LYS 98 - HD2 LYS 88 far 0 99 0 - 9.3-10.8 QB ALA 93 - HD3 LYS 88 far 0 99 0 - 9.4-12.0 QB ALA 93 - HD2 LYS 88 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3463 from cnoeabs.peaks (1.52, 1.52, 28.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 88 + HD3 LYS 88 OK 100 100 - 100 HD2 LYS 88 + HD2 LYS 88 OK 100 100 - 100 Reference assignment not found: HD2 LYS 88 - HD3 LYS 88 Peak 3464 from cnoeabs.peaks (1.52, 1.52, 28.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 88 + HD3 LYS 88 OK 100 100 - 100 HD2 LYS 88 + HD2 LYS 88 OK 100 100 - 100 Peak 3465 from cnoeabs.peaks (2.88, 1.52, 28.76 ppm; 3.11 A increased from 2.76 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 85 - HD2 LYS 88 far 0 92 0 - 7.6-10.9 HB2 ASN 85 - HD3 LYS 88 far 0 92 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 3466 from cnoeabs.peaks (2.88, 1.52, 28.76 ppm; 3.11 A increased from 2.76 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 88 + HD2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 88 + HD3 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 85 - HD2 LYS 88 far 0 96 0 - 7.6-10.9 HB2 ASN 85 - HD3 LYS 88 far 0 96 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (8.32, 1.52, 28.76 ppm; 5.78 A increased from 5.13 A): 2 out of 2 assignments used, quality = 1.00: H GLN 89 + HD2 LYS 88 OK 100 100 100 100 3.3-5.8 7570/3.0=89, 7569/3.7=88...(8) * H GLN 89 + HD3 LYS 88 OK 100 100 100 100 4.3-5.8 7570/3.0=89, 7569/3.7=88...(7) Violated in 0 structures by 0.00 A. Peak 3468 from cnoeabs.peaks (8.04, 2.88, 41.89 ppm; 5.29 A increased from 4.98 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 88 + HE2 LYS 88 OK 100 100 100 100 4.7-5.3 7559/3.8=82, 7558/3.8=77...(20) H LYS 88 + HE3 LYS 88 OK 100 100 100 100 5.2-5.5 7559/3.8=82, 7558/3.8=77...(20) Violated in 0 structures by 0.00 A. Peak 3469 from cnoeabs.peaks (4.50, 2.88, 41.89 ppm; 5.28 A increased from 4.22 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 88 + HE2 LYS 88 OK 100 100 100 100 3.7-5.6 3395/3.8=82, 3436/3.8=80...(28) HA LYS 88 + HE3 LYS 88 OK 100 100 100 100 3.8-5.6 3395/3.8=82, 3436/3.8=80...(27) HA GLN 89 - HE3 LYS 88 far 0 100 0 - 7.6-8.7 HA GLN 89 - HE2 LYS 88 far 0 100 0 - 8.2-8.9 HA TRP 60 - HE2 LYS 58 far 0 58 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 3470 from cnoeabs.peaks (1.39, 2.88, 41.89 ppm; 3.13 A): 3 out of 5 assignments used, quality = 0.91: HB2 LYS 88 + HE3 LYS 88 OK 79 100 80 99 2.6-4.5 3426/3.8=34, 4.8=27...(39) HD3 LYS 58 + HE2 LYS 58 OK 40 40 100 100 2.4-3.0 3.0=100 * HB2 LYS 88 + HE2 LYS 88 OK 30 100 30 99 3.4-4.6 3426/3.8=34, 4.8=27...(39) HG3 LYS 84 - HE3 LYS 88 far 0 95 0 - 9.6-13.2 HD3 LYS 84 - HE3 LYS 88 far 0 91 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 3471 from cnoeabs.peaks (1.69, 2.88, 41.89 ppm; 4.34 A increased from 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 88 + HE2 LYS 88 OK 100 100 100 100 4.0-4.8 4.8=72, 3418/3.8=72...(44) HB3 LYS 88 + HE3 LYS 88 OK 100 100 100 100 4.0-4.3 4.8=72, 3418/3.8=72...(43) HB VAL 25 - HE2 LYS 58 far 0 53 0 - 7.8-8.6 HB3 ARG 66 - HE2 LYS 58 far 0 46 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3472 from cnoeabs.peaks (1.20, 2.88, 41.89 ppm; 3.53 A increased from 2.82 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.7-3.7 3.8=80, 1.8/3473=46...(34) HG2 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.7-3.9 3.8=80, 1.8/3473=46...(33) HG2 LYS 84 - HE3 LYS 88 far 0 99 0 - 9.3-13.2 HG2 LYS 84 - HE2 LYS 88 far 0 99 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 3473 from cnoeabs.peaks (1.32, 2.88, 41.89 ppm; 2.73 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 88 + HE2 LYS 88 OK 98 100 100 98 2.1-2.8 3.8=37, 3444/1.8=25...(31) HG3 LYS 88 + HE3 LYS 88 OK 97 100 100 97 2.3-3.0 3.8=37, 3443/1.8=25...(30) HG LEU 83 - HE3 LYS 88 far 0 77 0 - 5.4-7.5 HG LEU 83 - HE2 LYS 88 far 0 77 0 - 6.3-7.5 HB3 LYS 98 - HE3 LYS 88 far 0 98 0 - 8.1-11.9 HB3 LYS 98 - HE2 LYS 88 far 0 99 0 - 9.7-11.8 QB ALA 93 - HE3 LYS 88 far 0 99 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 3474 from cnoeabs.peaks (1.52, 2.88, 41.89 ppm; 3.05 A increased from 2.44 A): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 58 - HE2 LYS 58 far 0 38 0 - 4.3-4.5 HB3 LEU 83 - HE3 LYS 88 far 0 65 0 - 5.2-7.9 HB3 LEU 83 - HE2 LYS 88 far 0 65 0 - 6.0-7.9 HB3 LYS 84 - HE2 LYS 88 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3475 from cnoeabs.peaks (1.52, 2.88, 41.89 ppm; 3.05 A increased from 2.44 A): 4 out of 8 assignments used, quality = 1.00: HD2 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 58 - HE2 LYS 58 far 0 38 0 - 4.3-4.5 HB3 LEU 83 - HE3 LYS 88 far 0 65 0 - 5.2-7.9 HB3 LEU 83 - HE2 LYS 88 far 0 65 0 - 6.0-7.9 HB3 LYS 84 - HE2 LYS 88 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3476 from cnoeabs.peaks (2.88, 2.88, 41.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 88 + HE2 LYS 88 OK 100 100 - 100 HE3 LYS 88 + HE3 LYS 88 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 55 55 - 100 Peak 3477 from cnoeabs.peaks (2.88, 2.88, 41.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 88 + HE3 LYS 88 OK 100 100 - 100 HE2 LYS 88 + HE2 LYS 88 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 51 51 - 100 Reference assignment not found: HE3 LYS 88 - HE2 LYS 88 Peak 3480 from cnoeabs.peaks (4.50, 2.88, 41.89 ppm; 5.28 A increased from 4.22 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 88 + HE3 LYS 88 OK 100 100 100 100 3.8-5.6 3395/3.8=82, 3436/3.8=80...(27) HA LYS 88 + HE2 LYS 88 OK 100 100 100 100 3.7-5.6 3395/3.8=82, 3436/3.8=80...(28) HA GLN 89 - HE3 LYS 88 far 0 100 0 - 7.6-8.7 HA GLN 89 - HE2 LYS 88 far 0 100 0 - 8.2-8.9 HA TRP 60 - HE2 LYS 58 far 0 54 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 3481 from cnoeabs.peaks (1.39, 2.88, 41.89 ppm; 3.13 A): 3 out of 5 assignments used, quality = 0.91: * HB2 LYS 88 + HE3 LYS 88 OK 79 100 80 99 2.6-4.5 3426/3.8=34, 4.8=27...(39) HD3 LYS 58 + HE2 LYS 58 OK 37 37 100 100 2.4-3.0 3.0=100 HB2 LYS 88 + HE2 LYS 88 OK 30 100 30 99 3.4-4.6 3426/3.8=34, 4.8=27...(39) HG3 LYS 84 - HE3 LYS 88 far 0 96 0 - 9.6-13.2 HD3 LYS 84 - HE3 LYS 88 far 0 92 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 3482 from cnoeabs.peaks (1.69, 2.88, 41.89 ppm; 4.34 A increased from 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 88 + HE3 LYS 88 OK 100 100 100 100 4.0-4.3 4.8=72, 3418/3.8=72...(43) HB3 LYS 88 + HE2 LYS 88 OK 100 100 100 100 4.0-4.8 4.8=72, 3418/3.8=72...(44) HB VAL 25 - HE2 LYS 58 far 0 50 0 - 7.8-8.6 HB3 ARG 66 - HE2 LYS 58 far 0 43 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3483 from cnoeabs.peaks (1.20, 2.88, 41.89 ppm; 3.53 A increased from 2.82 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.7-3.9 3.8=80, 1.8/3484=46...(33) HG2 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.7-3.7 3.8=80, 1.8/3484=46...(34) HG2 LYS 84 - HE3 LYS 88 far 0 99 0 - 9.3-13.2 HG2 LYS 84 - HE2 LYS 88 far 0 99 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 3484 from cnoeabs.peaks (1.32, 2.88, 41.89 ppm; 2.73 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 88 + HE2 LYS 88 OK 98 100 100 98 2.1-2.8 3.8=37, 3444/1.8=25...(31) * HG3 LYS 88 + HE3 LYS 88 OK 97 100 100 97 2.3-3.0 3.8=37, 3443/1.8=25...(30) HG LEU 83 - HE3 LYS 88 far 0 77 0 - 5.4-7.5 HG LEU 83 - HE2 LYS 88 far 0 77 0 - 6.3-7.5 HB3 LYS 98 - HE3 LYS 88 far 0 99 0 - 8.1-11.9 HB3 LYS 98 - HE2 LYS 88 far 0 98 0 - 9.7-11.8 QB ALA 93 - HE3 LYS 88 far 0 99 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 3485 from cnoeabs.peaks (1.52, 2.88, 41.89 ppm; 3.05 A increased from 2.44 A): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 58 - HE2 LYS 58 far 0 35 0 - 4.3-4.5 HB3 LEU 83 - HE3 LYS 88 far 0 65 0 - 5.2-7.9 HB3 LEU 83 - HE2 LYS 88 far 0 65 0 - 6.0-7.9 HB3 LYS 84 - HE2 LYS 88 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3486 from cnoeabs.peaks (1.52, 2.88, 41.89 ppm; 3.05 A increased from 2.44 A): 4 out of 8 assignments used, quality = 1.00: HD2 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 88 + HE3 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 88 + HE2 LYS 88 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 58 - HE2 LYS 58 far 0 35 0 - 4.3-4.5 HB3 LEU 83 - HE3 LYS 88 far 0 65 0 - 5.2-7.9 HB3 LEU 83 - HE2 LYS 88 far 0 65 0 - 6.0-7.9 HB3 LYS 84 - HE2 LYS 88 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3487 from cnoeabs.peaks (2.88, 2.88, 41.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 88 + HE3 LYS 88 OK 100 100 - 100 HE2 LYS 88 + HE2 LYS 88 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 51 51 - 100 Reference assignment not found: HE2 LYS 88 - HE3 LYS 88 Peak 3488 from cnoeabs.peaks (2.88, 2.88, 41.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 88 + HE3 LYS 88 OK 100 100 - 100 HE2 LYS 88 + HE2 LYS 88 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 48 48 - 100 Peak 3490 from cnoeabs.peaks (8.32, 4.50, 55.01 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + HA GLN 89 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3491 from cnoeabs.peaks (4.50, 4.50, 55.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 89 + HA GLN 89 OK 100 100 - 100 HA TRP 60 + HA TRP 60 OK 74 74 - 100 Peak 3492 from cnoeabs.peaks (1.86, 4.50, 55.01 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 89 + HA GLN 89 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 GLN 86 - HA GLN 89 far 0 82 0 - 7.2-7.8 HB2 LEU 17 - HA GLN 89 far 0 100 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 3493 from cnoeabs.peaks (1.95, 4.50, 55.01 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 89 + HA GLN 89 OK 100 100 100 100 2.5-3.0 3.0=100 HG13 ILE 90 - HA GLN 89 far 0 100 0 - 4.3-5.7 HB ILE 90 - HA GLN 89 far 0 71 0 - 6.1-6.3 HB2 GLU 94 - HA GLN 89 far 0 84 0 - 8.6-10.1 HB3 GLN 19 - HA GLN 89 far 0 84 0 - 9.6-12.1 HB2 GLN 27 - HA TRP 60 far 0 63 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 3494 from cnoeabs.peaks (2.25, 4.50, 55.01 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 89 + HA GLN 89 OK 98 100 100 98 2.1-4.2 4.0=76, 1.8/3527=32...(12) HG3 GLN 89 + HA GLN 89 OK 97 99 100 98 2.3-4.2 4.0=76, 1.8/3527=32...(13) HB2 GLN 86 - HA GLN 89 far 0 93 0 - 8.3-8.9 HG3 GLU 94 - HA GLN 89 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 3495 from cnoeabs.peaks (2.24, 4.50, 55.01 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 89 + HA GLN 89 OK 97 100 100 97 2.3-4.2 4.0=74, 1.8/3527=31...(12) HG2 GLN 89 + HA GLN 89 OK 96 99 100 97 2.1-4.2 4.0=74, 1.8/3527=32...(12) HB2 GLN 86 - HA GLN 89 far 0 79 0 - 8.3-8.9 HG3 GLU 94 - HA GLN 89 far 0 95 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 3498 from cnoeabs.peaks (8.79, 4.50, 55.01 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 90 + HA GLN 89 OK 100 100 100 100 2.8-3.1 3.6=100 H ASN 85 - HA GLN 89 far 0 91 0 - 8.0-9.9 H GLU 63 - HA TRP 60 far 0 73 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 3499 from cnoeabs.peaks (8.32, 1.86, 30.41 ppm; 4.23 A increased from 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + HB2 GLN 89 OK 100 100 100 100 3.1-4.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (4.50, 1.86, 30.41 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 89 + HB2 GLN 89 OK 100 100 100 100 2.3-2.9 3.0=100 HA LYS 88 - HB2 GLN 89 far 0 100 0 - 4.2-6.2 HA ALA 45 - HB3 ARG 44 far 0 81 0 - 5.0-5.9 HA GLN 19 - HB2 GLN 89 far 0 100 0 - 7.6-11.4 HA GLN 19 - HB3 ARG 44 far 0 82 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3501 from cnoeabs.peaks (1.86, 1.86, 30.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 89 + HB2 GLN 89 OK 100 100 - 100 HB3 ARG 44 + HB3 ARG 44 OK 64 64 - 100 Peak 3502 from cnoeabs.peaks (1.95, 1.86, 30.41 ppm; 2.49 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 89 + HB2 GLN 89 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 43 - HB3 ARG 44 far 0 61 0 - 5.3-7.8 HG13 ILE 90 - HB2 GLN 89 far 0 100 0 - 6.1-7.7 HB ILE 90 - HB2 GLN 89 far 0 71 0 - 6.7-7.8 HB3 GLN 19 - HB3 ARG 44 far 0 64 0 - 9.0-11.5 HB3 GLN 19 - HB2 GLN 89 far 0 84 0 - 9.7-13.2 HB2 GLU 94 - HB2 GLN 89 far 0 84 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3503 from cnoeabs.peaks (2.25, 1.86, 30.41 ppm; 3.09 A increased from 2.91 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 89 + HB2 GLN 89 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 89 + HB2 GLN 89 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 ASN 20 - HB3 ARG 44 far 0 48 0 - 4.5-7.2 HB2 GLN 19 - HB3 ARG 44 far 0 76 0 - 8.1-10.6 HB2 GLN 86 - HB2 GLN 89 far 0 93 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 3504 from cnoeabs.peaks (2.24, 1.86, 30.41 ppm; 3.14 A increased from 2.95 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 89 + HB2 GLN 89 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 89 + HB2 GLN 89 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 ASN 20 - HB3 ARG 44 far 0 64 0 - 4.5-7.2 HB2 GLN 19 - HB3 ARG 44 far 0 64 0 - 8.1-10.6 HB2 GLN 86 - HB2 GLN 89 far 0 79 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 3507 from cnoeabs.peaks (8.79, 1.86, 30.41 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 90 + HB2 GLN 89 OK 100 100 100 100 4.1-4.5 4.7=100 H ILE 23 - HB3 ARG 44 far 0 76 0 - 7.9-10.2 H ASN 85 - HB2 GLN 89 far 0 91 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 3508 from cnoeabs.peaks (8.32, 1.95, 30.41 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 89 + HB3 GLN 89 OK 100 100 100 100 2.9-3.7 7578=100, 7577/1.8=50...(9) Violated in 0 structures by 0.00 A. Peak 3509 from cnoeabs.peaks (4.50, 1.95, 30.41 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 89 + HB3 GLN 89 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 88 - HB3 GLN 89 far 0 100 0 - 4.2-5.3 HA GLN 19 - HB3 GLN 89 far 0 100 0 - 7.8-12.9 Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (1.86, 1.95, 30.41 ppm; 2.48 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 89 + HB3 GLN 89 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 86 - HB3 GLN 89 far 0 82 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 3511 from cnoeabs.peaks (1.95, 1.95, 30.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 89 + HB3 GLN 89 OK 100 100 - 100 Peak 3512 from cnoeabs.peaks (2.25, 1.95, 30.41 ppm; 3.05 A increased from 2.87 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 89 + HB3 GLN 89 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 89 + HB3 GLN 89 OK 99 99 100 100 2.2-3.0 3.0=100 HB2 GLN 86 - HB3 GLN 89 far 0 93 0 - 7.9-9.6 HG3 GLU 94 - HB3 GLN 89 far 0 100 0 - 10.0-11.9 HG2 GLN 86 - HB3 GLN 89 far 0 59 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 3513 from cnoeabs.peaks (2.24, 1.95, 30.41 ppm; 3.04 A increased from 2.86 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 89 + HB3 GLN 89 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 89 + HB3 GLN 89 OK 99 99 100 100 2.2-3.0 3.0=100 HB2 GLN 86 - HB3 GLN 89 far 0 79 0 - 7.9-9.6 HG3 GLU 94 - HB3 GLN 89 far 0 95 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 3516 from cnoeabs.peaks (8.79, 1.95, 30.41 ppm; 4.73 A increased from 4.45 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 90 + HB3 GLN 89 OK 100 100 100 100 4.0-4.6 4.7=100 H ASN 85 - HB3 GLN 89 far 0 91 0 - 7.7-12.0 Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (8.32, 2.25, 34.01 ppm; 4.41 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 89 + HG2 GLN 89 OK 100 100 100 100 2.9-4.7 7578/3.0=72, 4.9=71...(14) H GLN 89 + HG3 GLN 89 OK 99 99 100 100 2.4-4.7 7578/3.0=72, 4.9=71...(13) H GLN 89 - HG2 GLN 86 far 0 59 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 3518 from cnoeabs.peaks (4.50, 2.25, 34.01 ppm; 3.71 A): 3 out of 8 assignments used, quality = 1.00: * HA GLN 89 + HG2 GLN 89 OK 98 100 100 98 2.1-4.2 4.0=77, 3495/1.8=38...(12) HA GLN 89 + HG3 GLN 89 OK 97 99 100 98 2.3-4.2 4.0=77, 3495/1.8=37...(13) HA LYS 88 + HG3 GLN 89 OK 24 98 50 50 3.8-6.7 3.6/7580=23, 7586/3.5=8...(7) HA LYS 88 - HG2 GLN 89 poor 15 100 30 51 3.7-6.7 3.6/7579=24, 3.0/10079=9...(7) HA GLN 19 - HG2 GLN 89 far 0 100 0 - 6.2-12.2 HA PRO 100 - HG2 GLN 96 far 0 83 0 - 6.8-7.9 HA GLN 19 - HG3 GLN 89 far 0 98 0 - 7.0-12.3 HA LYS 88 - HG2 GLN 86 far 0 58 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (1.86, 2.25, 34.01 ppm; 3.09 A): 4 out of 8 assignments used, quality = 1.00: * HB2 GLN 89 + HG2 GLN 89 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 89 + HG3 GLN 89 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 GLN 96 + HG2 GLN 96 OK 77 77 100 100 2.5-2.8 3.0=100 HB3 GLN 86 + HG2 GLN 86 OK 42 42 100 100 3.0-3.0 3.0=100 HB3 GLN 86 - HG3 GLN 89 far 0 79 0 - 6.2-10.2 HB VAL 103 - HG2 GLN 96 far 0 80 0 - 6.3-8.0 HB3 GLN 86 - HG2 GLN 89 far 0 82 0 - 6.3-10.7 HB2 LEU 17 - HG2 GLN 89 far 0 100 0 - 8.8-14.5 Violated in 0 structures by 0.00 A. Peak 3520 from cnoeabs.peaks (1.95, 2.25, 34.01 ppm; 3.10 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 89 + HG2 GLN 89 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 89 + HG3 GLN 89 OK 99 99 100 100 2.2-3.0 3.0=100 HB ILE 90 - HG3 GLN 89 far 0 69 0 - 5.9-9.0 HG13 ILE 90 - HG3 GLN 89 far 0 99 0 - 5.9-8.9 HB ILE 90 - HG2 GLN 89 far 0 71 0 - 6.0-9.0 HG13 ILE 90 - HG2 GLN 89 far 0 100 0 - 6.1-8.8 HB2 GLU 94 - HG2 GLN 96 far 0 63 0 - 7.9-9.0 HG13 ILE 90 - HG2 GLN 96 far 0 83 0 - 7.9-10.8 HB3 GLN 19 - HG2 GLN 89 far 0 84 0 - 8.2-14.0 HB3 GLN 19 - HG3 GLN 89 far 0 81 0 - 8.6-14.2 HB2 GLU 94 - HG3 GLN 89 far 0 81 0 - 8.8-12.1 HB ILE 90 - HG2 GLN 96 far 0 52 0 - 9.0-10.8 HB2 GLU 94 - HG2 GLN 89 far 0 84 0 - 9.4-12.3 HB3 GLN 89 - HG2 GLN 86 far 0 59 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 3521 from cnoeabs.peaks (2.25, 2.25, 34.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 89 + HG2 GLN 89 OK 100 100 - 100 HG3 GLN 89 + HG3 GLN 89 OK 97 97 - 100 HG2 GLN 96 + HG2 GLN 96 OK 72 72 - 100 HG2 GLN 86 + HG2 GLN 86 OK 28 28 - 100 Peak 3522 from cnoeabs.peaks (2.24, 2.25, 34.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 89 + HG3 GLN 89 OK 99 99 - 100 HG2 GLN 89 + HG2 GLN 89 OK 99 99 - 100 HG2 GLN 96 + HG2 GLN 96 OK 59 59 - 100 Reference assignment not found: HG3 GLN 89 - HG2 GLN 89 Peak 3523 from cnoeabs.peaks (6.74, 2.25, 34.01 ppm; 4.97 A): 3 out of 6 assignments used, quality = 1.00: * HE21 GLN 89 + HG2 GLN 89 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 89 + HG3 GLN 89 OK 99 99 100 100 2.1-3.6 3.5=100 HE21 GLN 86 + HG2 GLN 86 OK 45 45 100 100 4.1-4.1 3.5=100 HE21 GLN 89 - HG2 GLN 86 far 0 59 0 - 7.9-14.3 HE21 GLN 86 - HG3 GLN 89 far 0 84 0 - 9.6-12.7 HE21 GLN 86 - HG2 GLN 89 far 0 87 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3524 from cnoeabs.peaks (7.43, 2.25, 34.01 ppm; 4.18 A): 2 out of 9 assignments used, quality = 1.00: * HE22 GLN 89 + HG2 GLN 89 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 89 + HG3 GLN 89 OK 99 99 100 100 3.4-4.1 3.5=100 H GLY 97 - HG2 GLN 96 poor 16 82 20 - 4.6-5.0 HZ2 TRP 16 - HG2 GLN 89 far 0 59 0 - 6.5-10.1 HZ2 TRP 16 - HG3 GLN 89 far 0 57 0 - 7.1-9.1 HZ3 TRP 16 - HG2 GLN 96 far 0 80 0 - 7.8-9.3 HZ2 TRP 16 - HG2 GLN 96 far 0 43 0 - 8.8-10.9 HE22 GLN 89 - HG2 GLN 86 far 0 59 0 - 8.8-15.4 HZ3 TRP 16 - HG2 GLN 89 far 0 99 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 3526 from cnoeabs.peaks (8.32, 2.24, 34.01 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 89 + HG3 GLN 89 OK 100 100 100 100 2.4-4.7 4.9=73, 7578/3.0=73...(13) H GLN 89 + HG2 GLN 89 OK 99 99 100 100 2.9-4.7 4.9=73, 7578/3.0=73...(14) Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (4.50, 2.24, 34.01 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 89 + HG3 GLN 89 OK 97 100 100 97 2.3-4.2 4.0=73, 3495/1.8=36...(12) HA GLN 89 + HG2 GLN 89 OK 96 99 100 97 2.1-4.2 4.0=73, 3495/1.8=37...(12) HA LYS 88 - HG3 GLN 89 poor 19 100 40 48 3.8-6.7 3.6/7580=22, 7586/3.5=7...(7) HA LYS 88 - HG2 GLN 89 poor 14 98 30 48 3.7-6.7 3.6/7580=23, 3.0/10079=9...(7) HA GLN 19 - HG2 GLN 89 far 0 98 0 - 6.2-12.2 HA PRO 100 - HG2 GLN 96 far 0 69 0 - 6.8-7.9 HA GLN 19 - HG3 GLN 89 far 0 100 0 - 7.0-12.3 HA PRO 100 - HG3 GLN 96 far 0 56 0 - 7.3-9.0 Violated in 0 structures by 0.00 A. Peak 3528 from cnoeabs.peaks (1.86, 2.24, 34.01 ppm; 3.06 A): 4 out of 9 assignments used, quality = 1.00: * HB2 GLN 89 + HG3 GLN 89 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 89 + HG2 GLN 89 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 GLN 96 + HG2 GLN 96 OK 63 63 100 100 2.5-2.8 3.0=100 HB3 GLN 96 + HG3 GLN 96 OK 51 51 100 100 2.2-2.4 3.0=100 HB3 GLN 86 - HG3 GLN 89 far 0 82 0 - 6.2-10.2 HB VAL 103 - HG2 GLN 96 far 0 65 0 - 6.3-8.0 HB3 GLN 86 - HG2 GLN 89 far 0 79 0 - 6.3-10.7 HB VAL 103 - HG3 GLN 96 far 0 53 0 - 6.9-9.3 HB2 LEU 17 - HG2 GLN 89 far 0 99 0 - 8.8-14.5 Violated in 0 structures by 0.00 A. Peak 3529 from cnoeabs.peaks (1.95, 2.24, 34.01 ppm; 3.06 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLN 89 + HG3 GLN 89 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 89 + HG2 GLN 89 OK 99 99 100 100 2.2-3.0 3.0=100 HB ILE 90 - HG3 GLN 89 far 0 71 0 - 5.9-9.0 HG13 ILE 90 - HG3 GLN 89 far 0 100 0 - 5.9-8.9 HB ILE 90 - HG2 GLN 89 far 0 69 0 - 6.0-9.0 HG13 ILE 90 - HG2 GLN 89 far 0 99 0 - 6.1-8.8 HB2 GLU 94 - HG3 GLN 96 far 0 41 0 - 7.8-9.4 HB2 GLU 94 - HG2 GLN 96 far 0 51 0 - 7.9-9.0 HG13 ILE 90 - HG2 GLN 96 far 0 69 0 - 7.9-10.8 HB3 GLN 19 - HG2 GLN 89 far 0 81 0 - 8.2-14.0 HG13 ILE 90 - HG3 GLN 96 far 0 56 0 - 8.4-11.7 HB3 GLN 19 - HG3 GLN 89 far 0 84 0 - 8.6-14.2 HB2 GLU 94 - HG3 GLN 89 far 0 84 0 - 8.8-12.1 HB ILE 90 - HG3 GLN 96 far 0 33 0 - 8.9-11.2 HB ILE 90 - HG2 GLN 96 far 0 42 0 - 9.0-10.8 HB2 GLU 94 - HG2 GLN 89 far 0 81 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (2.25, 2.24, 34.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 89 + HG3 GLN 89 OK 99 99 - 100 HG2 GLN 89 + HG2 GLN 89 OK 99 99 - 100 HG2 GLN 96 + HG2 GLN 96 OK 59 59 - 100 Reference assignment not found: HG2 GLN 89 - HG3 GLN 89 Peak 3531 from cnoeabs.peaks (2.24, 2.24, 34.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 89 + HG3 GLN 89 OK 100 100 - 100 HG2 GLN 89 + HG2 GLN 89 OK 97 97 - 100 HG2 GLN 96 + HG2 GLN 96 OK 47 47 - 100 HG3 GLN 96 + HG3 GLN 96 OK 30 30 - 100 Peak 3532 from cnoeabs.peaks (6.74, 2.24, 34.01 ppm; 4.94 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 89 + HG3 GLN 89 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 89 + HG2 GLN 89 OK 99 99 100 100 2.1-3.6 3.5=100 HE21 GLN 86 - HG3 GLN 89 far 0 87 0 - 9.6-12.7 HE21 GLN 86 - HG2 GLN 89 far 0 84 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3533 from cnoeabs.peaks (7.43, 2.24, 34.01 ppm; 4.18 A): 2 out of 11 assignments used, quality = 1.00: * HE22 GLN 89 + HG3 GLN 89 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 89 + HG2 GLN 89 OK 99 99 100 100 3.4-4.1 3.5=100 H GLY 97 - HG2 GLN 96 poor 14 68 20 - 4.6-5.0 H GLY 97 - HG3 GLN 96 far 3 55 5 - 4.7-5.2 HZ2 TRP 16 - HG2 GLN 89 far 0 57 0 - 6.5-10.1 HZ2 TRP 16 - HG3 GLN 89 far 0 59 0 - 7.1-9.1 HZ3 TRP 16 - HG2 GLN 96 far 0 66 0 - 7.8-9.3 HZ2 TRP 16 - HG2 GLN 96 far 0 34 0 - 8.8-10.9 HZ3 TRP 16 - HG3 GLN 96 far 0 54 0 - 9.0-10.7 HZ2 TRP 16 - HG3 GLN 96 far 0 27 0 - 9.3-12.0 HZ3 TRP 16 - HG2 GLN 89 far 0 97 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (8.79, 4.68, 59.00 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 90 + HA ILE 90 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 3536 from cnoeabs.peaks (4.68, 4.68, 59.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 90 + HA ILE 90 OK 100 100 - 100 Peak 3537 from cnoeabs.peaks (1.99, 4.68, 59.00 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 90 + HA ILE 90 OK 100 100 100 100 2.4-2.4 3.0=100 HG13 ILE 90 + HA ILE 90 OK 71 71 100 100 3.5-3.7 3.8=100 HB3 GLN 89 - HA ILE 90 poor 19 71 55 47 4.5-6.0 ~9612=27, 7610/3.0=19, ~9036=9 HB2 GLU 94 - HA ILE 90 far 10 100 10 - 5.0-6.3 Violated in 0 structures by 0.00 A. Peak 3538 from cnoeabs.peaks (0.78, 4.68, 59.00 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 90 + HA ILE 90 OK 100 100 100 100 2.2-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 3539 from cnoeabs.peaks (2.13, 4.68, 59.00 ppm; 6.00 A): 3 out of 3 assignments used, quality = 1.00: * HG12 ILE 90 + HA ILE 90 OK 100 100 100 100 3.7-4.1 3.8=100 HG2 GLU 94 + HA ILE 90 OK 98 99 100 100 3.8-4.8 10114/3.2=92...(21) HB3 GLU 94 + HA ILE 90 OK 96 96 100 100 4.1-5.3 ~10114=59, ~10117=57...(17) Violated in 0 structures by 0.00 A. Peak 3540 from cnoeabs.peaks (1.95, 4.68, 59.00 ppm; 4.90 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 90 + HA ILE 90 OK 100 100 100 100 3.5-3.7 3.8=100 HB ILE 90 + HA ILE 90 OK 71 71 100 100 2.4-2.4 3.0=100 HB3 GLN 89 + HA ILE 90 OK 30 100 55 54 4.5-6.0 ~9612=30, 7613/3.0=27, ~9036=10 HB2 GLU 94 - HA ILE 90 far 13 84 15 - 5.0-6.3 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (8.79, 1.99, 40.47 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 90 + HB ILE 90 OK 100 100 100 100 3.6-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 3543 from cnoeabs.peaks (4.68, 1.99, 40.47 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 90 + HB ILE 90 OK 100 100 100 100 2.4-2.4 3.0=100 HA LEU 12 - HB3 LEU 70 far 0 49 0 - 9.2-9.5 HA TRP 16 - HB ILE 90 far 0 79 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 3544 from cnoeabs.peaks (1.99, 1.99, 40.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB ILE 90 + HB ILE 90 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 24 24 - 100 Peak 3545 from cnoeabs.peaks (0.78, 1.99, 40.47 ppm; 3.56 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 90 + HB ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 69 + HB3 LEU 70 OK 49 49 100 99 3.5-3.6 11285/2.9=68...(13) QD1 ILE 67 + HB3 LEU 70 OK 37 41 100 92 3.6-3.7 8429/3.1=51...(9) HG2 LYS 52 - HB3 LEU 70 far 0 46 0 - 4.7-7.6 QD1 ILE 23 - HB3 LEU 70 far 0 35 0 - 6.9-7.2 HB3 LEU 55 - HB3 LEU 70 far 0 46 0 - 8.2-8.6 QG2 ILE 23 - HB3 LEU 70 far 0 39 0 - 8.9-9.1 QD2 LEU 36 - HB3 LEU 70 far 0 47 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 3546 from cnoeabs.peaks (2.13, 1.99, 40.47 ppm; 4.03 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 90 + HB ILE 90 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 GLU 94 + HB ILE 90 OK 98 99 100 100 2.6-3.0 10114/2.1=64...(44) HB3 GLU 94 + HB ILE 90 OK 96 96 100 100 2.0-3.0 3.0/2611=38, ~10114=33...(32) HG3 GLU 63 - HB3 LEU 70 far 0 25 0 - 7.7-9.5 HG2 GLU 63 - HB3 LEU 70 far 0 24 0 - 7.8-8.0 HB2 GLU 63 - HB3 LEU 70 far 0 24 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3547 from cnoeabs.peaks (1.95, 1.99, 40.47 ppm; diagonal): 2 out of 2 assignments used, quality = 0.85: HB ILE 90 + HB ILE 90 OK 71 71 - 100 HB3 LEU 70 + HB3 LEU 70 OK 49 49 - 100 Reference assignment not found: HG13 ILE 90 - HB ILE 90 Peak 3548 from cnoeabs.peaks (0.66, 1.99, 40.47 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 90 + HB ILE 90 OK 100 100 100 100 2.0-2.4 3.2=100 QD2 LEU 12 - HB3 LEU 70 far 0 29 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 3549 from cnoeabs.peaks (8.79, 0.78, 16.92 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 90 + QG2 ILE 90 OK 98 100 100 98 2.0-2.3 4.0=81, 3570/3.2=38...(10) H ILE 23 + QG2 ILE 23 OK 80 80 100 99 2.7-2.8 4.0=79, 3.0/620=53...(9) H ASN 85 - QG2 ILE 90 far 0 91 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (4.68, 0.78, 16.92 ppm; 3.83 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 90 + QG2 ILE 90 OK 100 100 100 100 2.2-2.4 3.2=100 HA LEU 12 - QG2 ILE 23 far 0 87 0 - 6.3-6.7 HA HIS 7 - QG2 ILE 28 far 0 100 0 - 6.5-7.1 HA TRP 16 - QG2 ILE 23 far 0 63 0 - 6.5-7.1 HA TRP 16 - QG2 ILE 90 far 0 79 0 - 8.7-9.7 HA LEU 36 - QG2 ILE 28 far 0 68 0 - 9.5-9.9 HA LEU 12 - QG2 ILE 28 far 0 100 0 - 9.7-9.8 Violated in 0 structures by 0.00 A. Peak 3551 from cnoeabs.peaks (1.99, 0.78, 16.92 ppm; 3.07 A): 3 out of 11 assignments used, quality = 1.00: * HB ILE 90 + QG2 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 94 + QG2 ILE 90 OK 85 100 95 90 3.2-4.1 3.0/10114=29...(26) HG13 ILE 90 + QG2 ILE 90 OK 69 71 100 97 2.9-3.2 3.2=89, 2.1/2564=32...(16) HB3 GLN 89 - QG2 ILE 90 far 0 71 0 - 4.7-5.7 HB2 GLN 27 - QG2 ILE 28 far 0 97 0 - 6.4-6.7 HB2 LYS 31 - QG2 ILE 28 far 0 99 0 - 6.8-7.0 HB3 GLN 27 - QG2 ILE 28 far 0 98 0 - 6.9-7.1 HB2 GLN 72 - QG2 ILE 23 far 0 87 0 - 7.1-7.3 HB VAL 69 - QG2 ILE 23 far 0 81 0 - 7.6-7.8 HB VAL 6 - QG2 ILE 28 far 0 99 0 - 8.2-9.8 HB3 LEU 70 - QG2 ILE 23 far 0 48 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 3552 from cnoeabs.peaks (0.78, 0.78, 16.92 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 ILE 90 + QG2 ILE 90 OK 100 100 - 100 QG2 ILE 28 + QG2 ILE 28 OK 100 100 - 100 QG2 ILE 23 + QG2 ILE 23 OK 73 73 - 100 Peak 3553 from cnoeabs.peaks (2.13, 0.78, 16.92 ppm; 4.00 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 90 + QG2 ILE 90 OK 100 100 100 100 2.0-2.4 3.2=100 HG2 GLU 94 + QG2 ILE 90 OK 98 99 100 100 3.6-3.9 10114=78, 1.8/10117=59...(34) HB3 GLU 94 + QG2 ILE 90 OK 96 96 100 100 3.4-3.7 3.0/10114=52...(25) HG2 GLU 110 - QG2 ILE 23 far 0 62 0 - 8.6-18.8 HB3 GLU 54 - QG2 ILE 23 far 0 86 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 3554 from cnoeabs.peaks (1.95, 0.78, 16.92 ppm; 3.18 A): 3 out of 12 assignments used, quality = 1.00: * HG13 ILE 90 + QG2 ILE 90 OK 99 100 100 99 2.9-3.2 3.2=99 HB2 GLU 94 + QG2 ILE 90 OK 74 84 95 93 3.2-4.1 3.0/10114=32...(27) HB ILE 90 + QG2 ILE 90 OK 71 71 100 100 2.1-2.1 2.1=100 HB3 GLN 89 - QG2 ILE 90 far 0 100 0 - 4.7-5.7 HB2 GLN 27 - QG2 ILE 28 far 0 90 0 - 6.4-6.7 HB2 LYS 31 - QG2 ILE 28 far 0 84 0 - 6.8-7.0 HB3 GLN 27 - QG2 ILE 28 far 0 86 0 - 6.9-7.1 HB2 GLN 72 - QG2 ILE 23 far 0 48 0 - 7.1-7.3 HB VAL 69 - QG2 ILE 23 far 0 78 0 - 7.6-7.8 HB3 LEU 70 - QG2 ILE 23 far 0 87 0 - 8.9-9.1 HB3 GLU 101 - QG2 ILE 23 far 0 86 0 - 9.0-9.5 HG3 PRO 43 - QG2 ILE 23 far 0 65 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 3555 from cnoeabs.peaks (0.66, 0.78, 16.92 ppm; 2.40 A): 3 out of 6 assignments used, quality = 0.97: QD1 ILE 28 + QG2 ILE 28 OK 86 88 100 97 1.7-1.7 3.2=41, 2.1/763=38...(29) * QD1 ILE 90 + QG2 ILE 90 OK 74 100 100 74 2.0-2.9 3.2=42, 2.1/2563=14...(17) QG2 VAL 21 + QG2 ILE 23 OK 26 51 100 50 2.7-2.8 11149=28, 2.1/8141=18...(7) QD2 LEU 12 - QG2 ILE 23 far 0 57 0 - 3.8-4.1 QG2 VAL 21 - QG2 ILE 90 far 0 65 0 - 8.8-9.5 QD1 ILE 90 - QG2 ILE 23 far 0 88 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (8.79, 2.13, 29.27 ppm; 4.25 A): 2 out of 4 assignments used, quality = 0.99: * H ILE 90 + HG12 ILE 90 OK 99 100 100 99 2.1-3.1 4.7=76, 3570/2.1=61...(7) H GLU 63 + HB2 GLU 63 OK 58 58 100 100 2.4-2.5 4.0=100 H ILE 90 - HB3 GLU 94 far 0 95 0 - 5.4-6.2 H ASN 85 - HG12 ILE 90 far 0 91 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 3558 from cnoeabs.peaks (1.99, 2.13, 29.27 ppm; 2.59 A): 6 out of 13 assignments used, quality = 1.00: HB2 GLU 94 + HB3 GLU 94 OK 93 93 100 100 1.8-1.8 1.8=100 * HB ILE 90 + HG12 ILE 90 OK 85 100 100 85 2.8-3.0 3.0=64, 4.0/3556=10...(11) HB ILE 90 + HB3 GLU 94 OK 81 95 100 85 2.0-3.0 2611/3.0=17, ~10114=11...(31) HB2 GLU 54 + HB3 GLU 54 OK 74 74 100 100 1.8-1.8 1.8=100 HG13 ILE 90 + HG12 ILE 90 OK 71 71 100 100 1.8-1.8 1.8=100 HG13 ILE 90 + HB3 GLU 94 OK 39 63 75 83 2.6-4.5 2.1/2568=13, ~10115=12...(29) HB2 GLU 94 - HG12 ILE 90 far 0 100 0 - 4.0-5.1 HB3 GLN 89 - HG12 ILE 90 far 0 71 0 - 6.2-7.4 HB3 GLN 89 - HB3 GLU 94 far 0 63 0 - 8.5-10.6 HB VAL 69 - HB3 GLU 54 far 0 94 0 - 8.7-9.0 HB3 GLN 27 - HB3 GLU 54 far 0 98 0 - 9.4-10.2 HB2 GLN 27 - HB3 GLU 54 far 0 96 0 - 9.8-10.3 HB3 LEU 70 - HB2 GLU 63 far 0 30 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3559 from cnoeabs.peaks (0.78, 2.13, 29.27 ppm; 4.48 A): 3 out of 12 assignments used, quality = 1.00: * QG2 ILE 90 + HG12 ILE 90 OK 100 100 100 100 2.0-2.4 3.2=100 QG2 ILE 90 + HB3 GLU 94 OK 95 95 100 100 3.4-3.7 10114/3.0=59...(25) QD1 ILE 67 + HB2 GLU 63 OK 50 50 100 100 4.5-4.9 9750/3.0=67, ~1963=49...(20) QD2 LEU 36 - HB3 GLU 54 far 0 98 0 - 5.5-6.1 HB3 LEU 55 - HB3 GLU 54 far 0 96 0 - 6.1-6.2 HG2 LYS 52 - HB3 GLU 54 far 0 96 0 - 6.3-7.1 QG2 VAL 69 - HB3 GLU 54 far 0 99 0 - 6.6-6.8 QD1 ILE 23 - HB3 GLU 54 far 0 80 0 - 6.9-7.1 QG2 VAL 69 - HB2 GLU 63 far 0 60 0 - 8.5-8.7 HB3 LEU 55 - HB2 GLU 63 far 0 56 0 - 9.0-9.4 QG2 ILE 23 - HB3 GLU 54 far 0 87 0 - 9.4-9.6 QD1 ILE 67 - HB3 GLU 54 far 0 89 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 3560 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG12 ILE 90 + HG12 ILE 90 OK 100 100 - 100 HB3 GLU 54 + HB3 GLU 54 OK 98 98 - 100 HB3 GLU 94 + HB3 GLU 94 OK 88 88 - 100 HB2 GLU 63 + HB2 GLU 63 OK 30 30 - 100 Peak 3561 from cnoeabs.peaks (1.95, 2.13, 29.27 ppm; 2.48 A): 7 out of 14 assignments used, quality = 1.00: * HG13 ILE 90 + HG12 ILE 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 54 + HB3 GLU 54 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 94 + HB3 GLU 94 OK 75 75 100 100 1.8-1.8 1.8=100 HB ILE 90 + HG12 ILE 90 OK 57 71 100 80 2.8-3.0 3.0=56, 4.0/3556=9...(11) HG13 ILE 90 + HB3 GLU 94 OK 57 95 75 80 2.6-4.5 2.1/2568=12, 1627=11...(29) HB3 GLU 63 + HB2 GLU 63 OK 56 56 100 100 1.8-1.8 1.8=100 HB ILE 90 + HB3 GLU 94 OK 50 63 100 80 2.0-3.0 2611/3.0=10, ~10114=10...(31) HB2 GLU 94 - HG12 ILE 90 far 0 84 0 - 4.0-5.1 HB3 GLN 89 - HG12 ILE 90 far 0 100 0 - 6.2-7.4 HB3 GLN 89 - HB3 GLU 94 far 0 95 0 - 8.5-10.6 HB VAL 69 - HB3 GLU 54 far 0 92 0 - 8.7-9.0 HB3 GLN 27 - HB3 GLU 54 far 0 84 0 - 9.4-10.2 HB2 GLN 27 - HB3 GLU 54 far 0 88 0 - 9.8-10.3 HB3 LEU 70 - HB2 GLU 63 far 0 59 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (0.66, 2.13, 29.27 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 90 + HG12 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 90 + HB3 GLU 94 OK 94 95 100 100 1.8-2.1 10115/3.0=59...(25) QG2 VAL 21 - HG12 ILE 90 far 0 65 0 - 8.1-9.3 QG2 VAL 21 - HB3 GLU 94 far 0 57 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 3563 from cnoeabs.peaks (8.79, 1.95, 29.27 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.99: H GLU 63 + HB3 GLU 63 OK 95 95 100 100 2.6-2.7 6823=98, 6822/1.8=80...(12) * H ILE 90 + HG13 ILE 90 OK 88 100 100 88 2.5-3.7 4.7=45, 3570/2.1=40...(7) H ILE 90 - HB2 GLU 94 far 0 82 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (1.99, 1.95, 29.27 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HB2 GLU 94 + HB2 GLU 94 OK 80 80 - 100 HB2 GLU 54 + HB2 GLU 54 OK 76 76 - 100 HG13 ILE 90 + HG13 ILE 90 OK 71 71 - 100 HB2 GLN 72 + HB2 GLN 72 OK 61 61 - 100 Reference assignment not found: HB ILE 90 - HG13 ILE 90 Peak 3566 from cnoeabs.peaks (0.78, 1.95, 29.27 ppm; 4.20 A): 3 out of 20 assignments used, quality = 1.00: * QG2 ILE 90 + HG13 ILE 90 OK 100 100 100 100 2.9-3.2 3.2=100 QG2 ILE 90 + HB2 GLU 94 OK 81 82 100 100 3.2-4.1 10114/3.0=53...(27) QD2 LEU 36 + HB2 GLU 54 OK 63 99 95 67 4.3-4.9 8247/9192=34...(7) QD1 ILE 67 - HB3 GLU 63 far 13 87 15 - 4.6-5.1 HB3 LEU 55 - HB2 GLU 54 far 0 97 0 - 5.3-5.5 QG2 VAL 69 - HB2 GLU 54 far 0 100 0 - 6.5-6.9 QG2 VAL 69 - HB2 GLN 72 far 0 61 0 - 6.8-6.9 QG2 ILE 23 - HB2 GLN 72 far 0 49 0 - 7.1-7.3 QD1 ILE 23 - HB2 GLN 72 far 0 44 0 - 7.4-7.6 QG2 VAL 69 - HB3 GLU 101 far 0 99 0 - 7.5-7.7 HG2 LYS 52 - HB2 GLU 54 far 0 97 0 - 7.6-8.1 QD1 ILE 23 - HB2 GLU 54 far 0 81 0 - 7.9-8.2 QG2 VAL 69 - HB3 GLU 63 far 0 97 0 - 8.3-8.4 QD1 ILE 11 - HB3 GLU 101 far 0 94 0 - 8.4-9.1 QG2 ILE 23 - HB3 GLU 101 far 0 87 0 - 9.0-9.5 QD1 ILE 11 - HB2 GLN 72 far 0 55 0 - 9.2-9.4 QD1 ILE 23 - HB3 GLU 101 far 0 79 0 - 9.4-9.8 QD1 ILE 11 - HB2 GLU 54 far 0 96 0 - 9.4-11.4 HB3 LEU 55 - HB3 GLU 63 far 0 94 0 - 9.5-9.8 QD1 ILE 67 - HB2 GLU 54 far 0 91 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (2.13, 1.95, 29.27 ppm; 2.40 A): 7 out of 10 assignments used, quality = 1.00: * HG12 ILE 90 + HG13 ILE 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 54 + HB2 GLU 54 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 GLU 94 + HB2 GLU 94 OK 75 75 100 100 1.8-1.8 1.8=100 HG2 GLU 94 + HB2 GLU 94 OK 68 78 95 92 2.9-3.0 3.0=51, 2610/3.0=25...(17) HB2 GLU 63 + HB3 GLU 63 OK 56 56 100 100 1.8-1.8 1.8=100 HG2 GLU 63 + HB3 GLU 63 OK 53 56 100 93 2.4-2.6 3.0=52, 1.8/1989=25...(20) HB3 GLU 94 + HG13 ILE 90 OK 52 96 70 77 2.6-4.5 1634=12, 3562/2.1=11...(29) HG3 GLU 63 - HB3 GLU 63 poor 18 58 30 - 2.3-3.0 HG12 ILE 90 - HB2 GLU 94 far 0 82 0 - 4.0-5.1 HG2 GLU 94 - HG13 ILE 90 far 0 99 0 - 4.3-5.5 Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (1.95, 1.95, 29.27 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG13 ILE 90 + HG13 ILE 90 OK 100 100 - 100 HB2 GLU 54 + HB2 GLU 54 OK 100 100 - 100 HB3 GLU 101 + HB3 GLU 101 OK 98 98 - 100 HB3 GLU 63 + HB3 GLU 63 OK 94 94 - 100 HB2 GLU 94 + HB2 GLU 94 OK 62 62 - 100 HB2 GLN 72 + HB2 GLN 72 OK 31 31 - 100 Peak 3569 from cnoeabs.peaks (0.66, 1.95, 29.27 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: * QD1 ILE 90 + HG13 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 90 + HB2 GLU 94 OK 82 82 100 100 1.9-3.2 10115/3.0=73...(28) QD2 LEU 12 + HB2 GLN 72 OK 37 37 100 100 2.4-2.6 8075=58, ~8775=46...(22) QD2 LEU 12 + HB3 GLU 101 OK 33 69 100 48 3.8-4.5 8785/2856=18...(7) QG2 VAL 21 - HG13 ILE 90 far 0 65 0 - 8.1-8.9 QG2 VAL 21 - HB2 GLN 72 far 0 33 0 - 9.0-9.2 QD1 ILE 28 - HB3 GLU 101 far 0 87 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (8.79, 0.66, 13.00 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.99: * H ILE 90 + QD1 ILE 90 OK 99 100 100 99 3.6-4.1 4.9=92, 3556/2.1=54...(5) H ASN 85 - QD1 ILE 90 far 0 91 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 3571 from cnoeabs.peaks (4.68, 0.66, 13.00 ppm; 5.78 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 90 + QD1 ILE 90 OK 100 100 100 100 3.8-4.2 4.2=100 HA TRP 16 - QD1 ILE 90 far 0 79 0 - 6.6-7.8 HA LEU 12 - QD1 ILE 28 far 0 64 0 - 8.0-8.0 HA HIS 7 - QD1 ILE 28 far 0 64 0 - 8.3-8.9 HA LEU 36 - QD1 ILE 28 far 0 37 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 3572 from cnoeabs.peaks (1.99, 0.66, 13.00 ppm; 3.59 A): 3 out of 9 assignments used, quality = 1.00: * HB ILE 90 + QD1 ILE 90 OK 100 100 100 100 2.0-2.4 3.2=100 HB2 GLU 94 + QD1 ILE 90 OK 99 100 100 99 1.9-3.2 3.0/10115=50...(28) HG13 ILE 90 + QD1 ILE 90 OK 71 71 100 100 2.1-2.1 2.1=100 HB3 GLN 89 - QD1 ILE 90 far 0 71 0 - 7.0-7.6 HB2 GLN 27 - QD1 ILE 28 far 0 60 0 - 7.1-7.3 HB3 GLN 27 - QD1 ILE 28 far 0 62 0 - 7.5-7.6 HB2 LYS 31 - QD1 ILE 28 far 0 62 0 - 8.5-8.8 HB VAL 69 - QD1 ILE 28 far 0 58 0 - 8.6-8.9 HB3 PRO 100 - QD1 ILE 28 far 0 62 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 3573 from cnoeabs.peaks (0.78, 0.66, 13.00 ppm; 2.54 A): 3 out of 8 assignments used, quality = 0.97: * QG2 ILE 90 + QD1 ILE 90 OK 81 100 100 81 2.0-2.9 3.2=50, 3554/2.1=16...(18) QG2 ILE 28 + QD1 ILE 28 OK 63 64 100 98 1.7-1.7 3.2=49, 763/2.1=43...(29) QD1 ILE 11 + QD1 ILE 28 OK 52 58 95 94 1.9-3.3 2.1/8763=33, 2.1/8764=33...(16) QD2 LEU 109 - QD1 ILE 28 far 0 46 0 - 6.4-18.7 QG1 VAL 29 - QD1 ILE 28 far 0 44 0 - 6.4-6.5 QD2 LEU 36 - QD1 ILE 28 far 0 62 0 - 7.3-7.4 QG2 VAL 69 - QD1 ILE 28 far 0 64 0 - 8.0-8.2 QG2 ILE 23 - QD1 ILE 90 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 3574 from cnoeabs.peaks (2.13, 0.66, 13.00 ppm; 3.97 A): 3 out of 3 assignments used, quality = 1.00: * HG12 ILE 90 + QD1 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 94 + QD1 ILE 90 OK 98 99 100 100 2.9-3.8 10115=98, 1.8/10118=64...(33) HB3 GLU 94 + QD1 ILE 90 OK 96 96 100 100 1.8-2.1 3.0/10115=60...(25) Violated in 0 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (1.95, 0.66, 13.00 ppm; 3.72 A): 3 out of 9 assignments used, quality = 1.00: * HG13 ILE 90 + QD1 ILE 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 94 + QD1 ILE 90 OK 83 84 100 99 1.9-3.2 3.0/10115=53...(28) HB ILE 90 + QD1 ILE 90 OK 71 71 100 100 2.0-2.4 3.2=100 HB3 GLN 89 - QD1 ILE 90 far 0 100 0 - 7.0-7.6 HB2 GLN 27 - QD1 ILE 28 far 0 53 0 - 7.1-7.3 HB3 GLN 27 - QD1 ILE 28 far 0 49 0 - 7.5-7.6 HB2 LYS 31 - QD1 ILE 28 far 0 48 0 - 8.5-8.8 HB VAL 69 - QD1 ILE 28 far 0 56 0 - 8.6-8.9 HB3 GLU 101 - QD1 ILE 28 far 0 63 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 3576 from cnoeabs.peaks (0.66, 0.66, 13.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 90 + QD1 ILE 90 OK 100 100 - 100 QD1 ILE 28 + QD1 ILE 28 OK 52 52 - 100 Peak 3785 from cnoeabs.peaks (7.26, 5.11, 54.68 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 99 + HA PHE 99 OK 100 100 100 100 2.9-2.9 3.0=100 HZ PHE 79 - HA PHE 99 far 0 99 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 3786 from cnoeabs.peaks (5.11, 5.11, 54.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 99 + HA PHE 99 OK 100 100 - 100 Peak 3787 from cnoeabs.peaks (3.02, 5.11, 54.68 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 99 + HA PHE 99 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (3.12, 5.11, 54.68 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 99 + HA PHE 99 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 ASN 71 - HA PHE 99 far 0 99 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 3789 from cnoeabs.peaks (7.31, 5.11, 54.68 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 99 + HA PHE 99 OK 100 100 100 100 2.4-2.7 3.0=100 QE PHE 104 - HA PHE 99 far 0 100 0 - 4.7-5.7 QE PHE 79 - HA PHE 99 far 0 100 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (7.26, 3.02, 39.70 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 99 + HB2 PHE 99 OK 100 100 100 100 2.5-2.7 3.3=100 HZ PHE 79 - HB2 PHE 99 far 0 99 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 3793 from cnoeabs.peaks (5.11, 3.02, 39.70 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 99 + HB2 PHE 99 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3794 from cnoeabs.peaks (3.02, 3.02, 39.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 99 + HB2 PHE 99 OK 100 100 - 100 Peak 3795 from cnoeabs.peaks (3.12, 3.02, 39.70 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 99 + HB2 PHE 99 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (7.31, 3.02, 39.70 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 99 + HB2 PHE 99 OK 100 100 100 100 2.3-2.3 2.7=100 QE PHE 104 + HB2 PHE 99 OK 98 100 100 98 2.2-3.6 ~10845=38, 2.2/11117=38...(15) QE PHE 79 - HB2 PHE 99 far 0 100 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (7.26, 3.12, 39.70 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 99 + HB3 PHE 99 OK 100 100 100 100 3.7-3.8 3.3=100 HZ PHE 79 - HB3 PHE 99 far 0 99 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 3800 from cnoeabs.peaks (5.11, 3.12, 39.70 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 99 + HB3 PHE 99 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 3801 from cnoeabs.peaks (3.02, 3.12, 39.70 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 99 + HB3 PHE 99 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3802 from cnoeabs.peaks (3.12, 3.12, 39.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 99 + HB3 PHE 99 OK 100 100 - 100 Peak 3803 from cnoeabs.peaks (7.31, 3.12, 39.70 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 99 + HB3 PHE 99 OK 100 100 100 100 2.5-2.6 2.7=100 QE PHE 104 - HB3 PHE 99 far 15 100 15 - 3.3-5.2 QE PHE 79 - HB3 PHE 99 far 0 100 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 3807 from cnoeabs.peaks (3.27, 5.11, 54.68 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 100 + HA PHE 99 OK 100 100 100 100 1.9-2.5 2776=100, 1.8/2778=81...(12) Violated in 0 structures by 0.00 A. Peak 3809 from cnoeabs.peaks (3.63, 5.11, 54.68 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 100 + HA PHE 99 OK 100 100 100 100 1.9-2.7 2778=100, 1.8/2776=76...(13) Violated in 0 structures by 0.00 A. Peak 5502 from cnoeabs.peaks (3.10, 6.96, 120.16 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + HD2 HIS 7 OK 100 100 100 100 2.7-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (3.04, 6.96, 120.16 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 7 + HD2 HIS 7 OK 100 100 100 100 2.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 5504 from cnoeabs.peaks (6.96, 6.96, 120.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 7 + HD2 HIS 7 OK 100 100 - 100 Peak 5508 from cnoeabs.peaks (5.32, 7.04, 131.14 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 10 + QD PHE 10 OK 100 100 100 100 3.2-3.2 3.7=100 HA ASP 26 - QD PHE 10 far 0 99 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 5509 from cnoeabs.peaks (2.81, 7.04, 131.14 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 10 + QD PHE 10 OK 100 100 100 100 2.6-2.6 2.5=100 HD2 ARG 66 - QD PHE 10 far 0 92 0 - 6.4-8.7 Violated in 0 structures by 0.00 A. Peak 5510 from cnoeabs.peaks (2.66, 7.04, 131.14 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 10 + QD PHE 10 OK 100 100 100 100 2.3-2.3 2.5=100 HB3 ASP 65 + QD PHE 10 OK 93 99 100 93 3.9-4.1 1.8/10728=45, ~8424=45...(6) HG3 GLN 72 - QD PHE 10 far 0 84 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 5511 from cnoeabs.peaks (7.04, 7.04, 131.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 10 + QD PHE 10 OK 100 100 - 100 Peak 5512 from cnoeabs.peaks (7.25, 7.04, 131.14 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 10 + QD PHE 10 OK 100 100 100 100 2.2-2.2 2.2=100 HH2 TRP 60 - QD PHE 10 far 0 100 0 - 4.2-4.5 HZ3 TRP 60 - QD PHE 10 far 0 71 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 5514 from cnoeabs.peaks (7.04, 7.25, 130.98 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 10 + QE PHE 10 OK 100 100 100 100 2.2-2.2 2.2=100 H LYS 58 - QE PHE 10 far 0 66 0 - 6.7-7.0 HD21 ASN 68 - QE PHE 10 far 0 98 0 - 7.8-8.3 QE PHE 40 - QE PHE 10 far 0 91 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 5515 from cnoeabs.peaks (7.25, 7.25, 130.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 10 + QE PHE 10 OK 100 100 - 100 Peak 5516 from cnoeabs.peaks (7.32, 7.25, 130.98 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 10 + QE PHE 10 OK 100 100 100 100 2.2-2.2 2.2=100 HE3 TRP 60 - QE PHE 10 far 0 88 0 - 4.2-4.4 Violated in 0 structures by 0.00 A. Peak 5518 from cnoeabs.peaks (7.25, 7.32, 130.07 ppm; 3.89 A): 3 out of 3 assignments used, quality = 1.00: * QE PHE 10 + HZ PHE 10 OK 100 100 100 100 2.2-2.2 2.2=100 HH2 TRP 60 + HZ PHE 10 OK 68 100 100 68 3.3-3.6 5664/2.2=24...(7) HZ3 TRP 60 + HZ PHE 10 OK 39 71 100 55 2.4-2.6 5656/2.2=19, 2.4/5604=14...(6) Violated in 0 structures by 0.00 A. Peak 5519 from cnoeabs.peaks (7.32, 7.32, 130.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 10 + HZ PHE 10 OK 100 100 - 100 Peak 5521 from cnoeabs.peaks (3.13, 7.16, 127.26 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 16 + HD1 TRP 16 OK 100 100 100 100 2.5-2.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 5522 from cnoeabs.peaks (3.78, 7.16, 127.26 ppm; 5.07 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TRP 16 + HD1 TRP 16 OK 100 100 100 100 3.5-3.8 3.9=100 HA TRP 80 - HD1 TRP 16 far 0 100 0 - 7.0-8.7 HB2 SER 105 - HD1 TRP 16 far 0 71 0 - 7.8-11.7 HB3 SER 105 - HD1 TRP 16 far 0 69 0 - 8.7-10.5 HA LYS 84 - HD1 TRP 16 far 0 82 0 - 8.9-12.4 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (7.68, 7.68, 119.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 16 + HE3 TRP 16 OK 100 100 - 100 Peak 5530 from cnoeabs.peaks (7.44, 7.68, 119.93 ppm; 5.02 A): 2 out of 3 assignments used, quality = 1.00: * HZ3 TRP 16 + HE3 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 HZ2 TRP 16 + HE3 TRP 16 OK 73 73 100 100 5.0-5.0 5.0=100 H GLY 97 - HE3 TRP 16 far 0 98 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 5534 from cnoeabs.peaks (7.68, 7.44, 121.04 ppm; 5.45 A): 2 out of 4 assignments used, quality = 1.00: * HE3 TRP 16 + HZ3 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 QD PHE 79 + HZ3 TRP 16 OK 98 100 100 98 3.0-4.3 9920/10880=49, ~11093=46...(9) H GLU 94 - HZ3 TRP 16 far 0 69 0 - 7.9-9.3 H LYS 84 - HZ3 TRP 16 far 0 89 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 5535 from cnoeabs.peaks (7.44, 7.44, 121.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 16 + HZ3 TRP 16 OK 100 100 - 100 Peak 5537 from cnoeabs.peaks (7.35, 7.44, 121.04 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 16 + HZ3 TRP 16 OK 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5541 from cnoeabs.peaks (7.47, 7.47, 115.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 16 + HZ2 TRP 16 OK 100 100 - 100 Peak 5542 from cnoeabs.peaks (7.35, 7.47, 115.68 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 16 + HZ2 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 81 - HZ2 TRP 16 far 0 91 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 5545 from cnoeabs.peaks (7.44, 7.35, 124.14 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HZ3 TRP 16 + HH2 TRP 16 OK 100 100 100 100 2.4-2.4 2.4=100 HZ2 TRP 16 + HH2 TRP 16 OK 73 73 100 100 2.5-2.5 2.5=100 HE22 GLN 89 - HH2 TRP 16 far 0 99 0 - 8.5-13.7 H GLY 97 - HH2 TRP 16 far 0 97 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 5546 from cnoeabs.peaks (7.47, 7.35, 124.14 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HZ2 TRP 16 + HH2 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 HZ3 TRP 16 + HH2 TRP 16 OK 87 87 100 100 2.4-2.4 2.4=100 HE22 GLN 89 - HH2 TRP 16 far 0 69 0 - 8.5-13.7 Violated in 0 structures by 0.00 A. Peak 5547 from cnoeabs.peaks (7.35, 7.35, 124.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 16 + HH2 TRP 16 OK 100 100 - 100 Peak 5551 from cnoeabs.peaks (6.60, 6.60, 133.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD TYR 39 + QD TYR 39 OK 99 99 - 100 Peak 5552 from cnoeabs.peaks (6.35, 6.60, 133.14 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.99: * QE TYR 39 + QD TYR 39 OK 99 99 100 100 2.2-2.2 2.2=100 HE21 GLN 50 - QD TYR 39 far 0 90 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 5553 from cnoeabs.peaks (6.60, 6.35, 117.86 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + QE TYR 39 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5554 from cnoeabs.peaks (6.35, 6.35, 117.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 39 + QE TYR 39 OK 100 100 - 100 Peak 5555 from cnoeabs.peaks (5.03, 7.13, 132.58 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 40 + QD PHE 40 OK 100 100 100 100 2.1-2.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 5556 from cnoeabs.peaks (2.66, 7.13, 132.58 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 40 + QD PHE 40 OK 100 100 100 100 2.3-2.3 2.5=100 Violated in 0 structures by 0.00 A. Peak 5557 from cnoeabs.peaks (3.40, 7.13, 132.58 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 40 + QD PHE 40 OK 100 100 100 100 2.5-2.7 2.5=100 HB3 TRP 48 - QD PHE 40 far 0 99 0 - 6.7-7.6 HA ILE 77 - QD PHE 40 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 5558 from cnoeabs.peaks (7.13, 7.13, 132.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 40 + QD PHE 40 OK 100 100 - 100 Peak 5559 from cnoeabs.peaks (7.07, 7.13, 132.58 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 40 + QD PHE 40 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 40 - QD PHE 40 far 0 88 0 - 3.8-3.8 Violated in 0 structures by 0.00 A. Peak 5561 from cnoeabs.peaks (7.13, 7.07, 130.15 ppm; 2.84 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 40 + QE PHE 40 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 40 + QE PHE 40 OK 61 61 100 100 2.2-2.2 2.2=100 H LYS 98 - QE PHE 99 far 0 70 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 5562 from cnoeabs.peaks (7.07, 7.07, 130.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 40 + QE PHE 40 OK 100 100 - 100 QE PHE 99 + QE PHE 99 OK 71 71 - 100 Peak 5563 from cnoeabs.peaks (7.09, 7.07, 130.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: QE PHE 40 + QE PHE 40 OK 88 88 - 100 Reference assignment not found: HZ PHE 40 - QE PHE 40 Peak 5565 from cnoeabs.peaks (7.07, 7.09, 128.43 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HZ PHE 40 + HZ PHE 40 OK 90 90 - 100 Reference assignment not found: QE PHE 40 - HZ PHE 40 Peak 5566 from cnoeabs.peaks (7.09, 7.09, 128.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 40 + HZ PHE 40 OK 100 100 - 100 Peak 5568 from cnoeabs.peaks (2.38, 6.90, 131.05 ppm; 4.56 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 41 + QD PHE 41 OK 100 100 100 100 2.3-2.6 2.5=100 HB3 LEU 17 - QD PHE 41 far 0 91 0 - 5.8-6.4 HG2 GLN 50 - QD PHE 41 far 0 100 0 - 7.6-8.6 HG3 GLN 19 - QD PHE 41 far 0 99 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 5569 from cnoeabs.peaks (3.03, 6.90, 131.05 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 41 + QD PHE 41 OK 100 100 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 5570 from cnoeabs.peaks (6.90, 6.90, 131.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 41 + QD PHE 41 OK 100 100 - 100 Peak 5571 from cnoeabs.peaks (6.97, 6.90, 131.05 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 41 + QD PHE 41 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 19 - QD PHE 41 far 0 67 0 - 8.2-12.4 HD22 ASN 108 - QD PHE 41 far 0 95 0 - 8.4-20.8 Violated in 0 structures by 0.00 A. Peak 5573 from cnoeabs.peaks (6.90, 6.97, 131.04 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 41 + QE PHE 41 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 19 - QE PHE 41 far 0 63 0 - 6.9-12.2 H LEU 17 - QE PHE 41 far 0 88 0 - 7.0-7.4 HH2 TRP 80 - QE PHE 41 far 0 88 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 5574 from cnoeabs.peaks (6.97, 6.97, 131.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 41 + QE PHE 41 OK 100 100 - 100 Peak 5575 from cnoeabs.peaks (6.83, 6.97, 131.04 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HZ PHE 41 + QE PHE 41 OK 100 100 100 100 2.2-2.2 2.2=100 HD1 TRP 42 - QE PHE 41 far 0 100 0 - 6.6-8.3 HZ2 TRP 80 - QE PHE 41 far 0 89 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 5577 from cnoeabs.peaks (6.97, 6.83, 129.75 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.94: * QE PHE 41 + HZ PHE 41 OK 94 94 100 100 2.2-2.2 2.2=100 HD22 ASN 108 - HZ PHE 41 far 0 87 0 - 6.6-21.4 HE22 GLN 19 - HZ PHE 41 far 0 59 0 - 8.2-14.7 Violated in 0 structures by 0.00 A. Peak 5578 from cnoeabs.peaks (6.83, 6.83, 129.75 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: * HZ PHE 41 + HZ PHE 41 OK 94 94 - 100 Peak 5580 from cnoeabs.peaks (3.17, 6.83, 127.11 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: HB3 TRP 42 + HD1 TRP 42 OK 100 100 100 100 2.9-3.0 3.9=100 * HB2 TRP 42 + HD1 TRP 42 OK 100 100 100 100 3.9-3.9 3.9=100 HB3 ASP 46 - HD1 TRP 42 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 5581 from cnoeabs.peaks (3.17, 6.83, 127.11 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TRP 42 + HD1 TRP 42 OK 100 100 100 100 2.9-3.0 3.9=100 HB2 TRP 42 + HD1 TRP 42 OK 100 100 100 100 3.9-3.9 3.9=100 HB3 ASP 46 - HD1 TRP 42 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 5582 from cnoeabs.peaks (6.83, 6.83, 127.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 42 + HD1 TRP 42 OK 100 100 - 100 Peak 5588 from cnoeabs.peaks (8.16, 8.16, 120.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 42 + HE3 TRP 42 OK 100 100 - 100 Peak 5589 from cnoeabs.peaks (7.34, 8.16, 120.29 ppm; 5.42 A): 1 out of 4 assignments used, quality = 1.00: * HZ3 TRP 42 + HE3 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 81 - HE3 TRP 42 far 0 100 0 - 7.5-12.3 HE3 TRP 80 - HE3 TRP 42 far 0 68 0 - 7.9-8.3 HE22 GLN 50 - HE3 TRP 42 far 0 96 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 5593 from cnoeabs.peaks (8.16, 7.34, 121.96 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 42 + HZ3 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5594 from cnoeabs.peaks (7.34, 7.34, 121.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 42 + HZ3 TRP 42 OK 100 100 - 100 Peak 5596 from cnoeabs.peaks (7.28, 7.34, 121.96 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HH2 TRP 42 + HZ3 TRP 42 OK 100 100 100 100 2.4-2.4 2.4=100 HE3 TRP 48 - HZ3 TRP 42 far 0 100 0 - 6.7-8.0 HE3 TRP 80 - HZ3 TRP 42 far 0 84 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 5600 from cnoeabs.peaks (7.51, 7.51, 114.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 42 + HZ2 TRP 42 OK 100 100 - 100 Peak 5601 from cnoeabs.peaks (7.28, 7.51, 114.90 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * HH2 TRP 42 + HZ2 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 HE3 TRP 80 - HZ2 TRP 42 far 8 84 10 - 3.6-4.6 H ASN 20 - HZ2 TRP 42 far 0 65 0 - 9.6-10.6 HE3 TRP 48 - HZ2 TRP 42 far 0 100 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 5604 from cnoeabs.peaks (7.34, 7.28, 124.68 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: * HZ3 TRP 42 + HH2 TRP 42 OK 100 100 100 100 2.4-2.4 2.4=100 HZ PHE 10 + HH2 TRP 60 OK 23 46 100 50 3.3-3.6 5518=19, ~5661=13...(8) HE3 TRP 60 - HH2 TRP 60 far 0 27 0 - 4.3-4.3 HE22 GLN 81 - HH2 TRP 42 far 0 100 0 - 4.8-9.0 HE3 TRP 80 - HH2 TRP 42 far 0 67 0 - 6.0-7.0 Violated in 0 structures by 0.00 A. Peak 5605 from cnoeabs.peaks (7.51, 7.28, 124.68 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 42 + HH2 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5606 from cnoeabs.peaks (7.28, 7.28, 124.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HH2 TRP 42 + HH2 TRP 42 OK 100 100 - 100 HH2 TRP 60 + HH2 TRP 60 OK 45 45 - 100 Peak 5607 from cnoeabs.peaks (6.70, 6.70, 125.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 48 + HD1 TRP 48 OK 100 100 - 100 Peak 5613 from cnoeabs.peaks (7.27, 7.27, 120.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 TRP 48 + HE3 TRP 48 OK 100 100 - 100 HE3 TRP 60 + HE3 TRP 60 OK 34 34 - 100 Peak 5614 from cnoeabs.peaks (6.94, 7.27, 120.40 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HZ3 TRP 48 + HE3 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 H ILE 61 - HE3 TRP 60 far 0 30 0 - 4.9-5.0 HD2 HIS 7 - HE3 TRP 60 far 0 45 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 5618 from cnoeabs.peaks (7.27, 6.94, 121.94 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 48 + HZ3 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 HH2 TRP 42 - HZ3 TRP 48 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 5619 from cnoeabs.peaks (6.94, 6.94, 121.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 48 + HZ3 TRP 48 OK 100 100 - 100 Peak 5621 from cnoeabs.peaks (7.08, 6.94, 121.94 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 48 + HZ3 TRP 48 OK 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5624 from cnoeabs.peaks (6.94, 7.32, 114.28 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 48 + HZ2 TRP 48 OK 100 100 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 5625 from cnoeabs.peaks (7.32, 7.32, 114.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 48 + HZ2 TRP 48 OK 100 100 - 100 Peak 5626 from cnoeabs.peaks (7.08, 7.32, 114.28 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 48 + HZ2 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 72 - HZ2 TRP 48 far 0 94 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 5629 from cnoeabs.peaks (6.94, 7.08, 124.04 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 48 + HH2 TRP 48 OK 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5630 from cnoeabs.peaks (7.32, 7.08, 124.04 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 48 + HH2 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5631 from cnoeabs.peaks (7.08, 7.08, 124.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 48 + HH2 TRP 48 OK 100 100 - 100 Peak 5632 from cnoeabs.peaks (4.21, 7.12, 119.26 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.98: * HA HIS 59 + HD2 HIS 59 OK 98 100 100 98 2.3-4.2 1852=98 HA ALA 62 - HD2 HIS 59 far 0 88 0 - 7.9-11.2 Violated in 0 structures by 0.00 A. Peak 5633 from cnoeabs.peaks (3.18, 7.12, 119.26 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.7-4.0 3.9=100 HB3 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.9-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 5634 from cnoeabs.peaks (3.18, 7.12, 119.26 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.9-4.0 3.9=100 HB2 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 5635 from cnoeabs.peaks (7.12, 7.12, 119.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 59 + HD2 HIS 59 OK 100 100 - 100 Peak 5639 from cnoeabs.peaks (4.51, 7.19, 127.30 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 60 + HD1 TRP 60 OK 100 100 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 5640 from cnoeabs.peaks (2.97, 7.19, 127.30 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 60 + HD1 TRP 60 OK 100 100 100 100 2.7-2.7 3.9=100 HE3 LYS 58 - HD1 TRP 60 far 0 65 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 5641 from cnoeabs.peaks (3.58, 7.19, 127.30 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 60 + HD1 TRP 60 OK 100 100 100 100 3.8-3.8 3.9=100 HA GLU 56 - HD1 TRP 60 far 0 73 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 5642 from cnoeabs.peaks (7.19, 7.19, 127.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 60 + HD1 TRP 60 OK 100 100 - 100 Peak 5648 from cnoeabs.peaks (7.30, 7.30, 120.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 TRP 60 + HE3 TRP 60 OK 100 100 - 100 HE3 TRP 48 + HE3 TRP 48 OK 36 36 - 100 Peak 5649 from cnoeabs.peaks (7.22, 7.30, 120.80 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HZ3 TRP 60 + HE3 TRP 60 OK 100 100 100 100 2.5-2.5 2.5=100 QE PHE 10 - HE3 TRP 60 far 0 84 0 - 4.2-4.4 HH2 TRP 60 - HE3 TRP 60 far 0 70 0 - 4.3-4.3 HD1 TRP 60 - HE3 TRP 60 far 0 79 0 - 5.1-5.1 Violated in 0 structures by 0.00 A. Peak 5654 from cnoeabs.peaks (7.22, 7.22, 122.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 60 + HZ3 TRP 60 OK 100 100 - 100 Peak 5655 from cnoeabs.peaks (7.46, 7.22, 122.45 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 60 + HZ3 TRP 60 OK 100 100 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 5656 from cnoeabs.peaks (7.26, 7.22, 122.45 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: HZ3 TRP 60 + HZ3 TRP 60 OK 61 61 - 100 Reference assignment not found: HH2 TRP 60 - HZ3 TRP 60 Peak 5660 from cnoeabs.peaks (7.46, 7.46, 114.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 60 + HZ2 TRP 60 OK 100 100 - 100 Peak 5661 from cnoeabs.peaks (7.26, 7.46, 114.23 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * HH2 TRP 60 + HZ2 TRP 60 OK 100 100 100 100 2.5-2.5 2.5=100 QE PHE 10 - HZ2 TRP 60 poor 20 99 20 - 3.4-3.8 HZ3 TRP 60 - HZ2 TRP 60 far 0 61 0 - 4.3-4.3 Violated in 0 structures by 0.00 A. Peak 5664 from cnoeabs.peaks (7.22, 7.26, 125.17 ppm; diagonal): 1 out of 1 assignment used, quality = 0.70: HH2 TRP 60 + HH2 TRP 60 OK 70 70 - 100 Reference assignment not found: HZ3 TRP 60 - HH2 TRP 60 Peak 5665 from cnoeabs.peaks (7.46, 7.26, 125.17 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 60 + HH2 TRP 60 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5666 from cnoeabs.peaks (7.26, 7.26, 125.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 60 + HH2 TRP 60 OK 100 100 - 100 Peak 5667 from cnoeabs.peaks (4.74, 7.68, 132.28 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 79 + QD PHE 79 OK 100 100 100 100 2.1-2.7 3.7=100 HA TRP 16 - QD PHE 79 far 0 77 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 5668 from cnoeabs.peaks (3.79, 7.68, 132.28 ppm; 4.51 A): 2 out of 7 assignments used, quality = 1.00: * HB2 PHE 79 + QD PHE 79 OK 100 100 100 100 2.5-2.7 2.4=100 HA TRP 80 + QD PHE 79 OK 94 94 100 100 3.4-4.2 10006=93, 2.9/7160=70...(22) HA LYS 98 - QD PHE 79 far 0 89 0 - 6.4-7.7 HB3 TRP 16 - QD PHE 79 far 0 98 0 - 7.9-8.9 HA ALA 73 - QD PHE 79 far 0 89 0 - 8.4-9.2 HA LYS 84 - QD PHE 79 far 0 95 0 - 9.2-9.7 HA3 GLY 97 - QD PHE 79 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 5669 from cnoeabs.peaks (3.67, 7.68, 132.28 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 79 + QD PHE 79 OK 100 100 100 100 2.3-2.3 2.4=100 HA LEU 83 - QD PHE 79 far 0 92 0 - 5.9-6.5 HA GLN 96 - QD PHE 79 far 0 79 0 - 7.7-8.9 HA2 GLY 97 - QD PHE 79 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 5670 from cnoeabs.peaks (7.68, 7.68, 132.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + QD PHE 79 OK 100 100 - 100 Peak 5671 from cnoeabs.peaks (7.31, 7.68, 132.28 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * QE PHE 79 + QD PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 99 + QD PHE 79 OK 98 100 100 99 3.9-4.1 10846=59, 2.2/10841=44...(22) HE22 GLN 86 - QD PHE 79 far 0 67 0 - 4.4-5.2 QE PHE 104 - QD PHE 79 far 0 100 0 - 4.8-5.8 HE3 TRP 80 - QD PHE 79 far 0 100 0 - 6.8-7.6 HE22 GLN 81 - QD PHE 79 far 0 84 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 5673 from cnoeabs.peaks (7.68, 7.31, 131.10 ppm; 3.70 A): 2 out of 7 assignments used, quality = 1.00: * QD PHE 79 + QE PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 HE3 TRP 16 + QE PHE 104 OK 61 92 100 67 2.9-3.5 4.2/8838=30...(8) QD PHE 79 - QE PHE 104 far 0 92 0 - 4.8-5.8 HE3 TRP 16 - QE PHE 79 far 0 100 0 - 5.4-7.8 H GLU 94 - QE PHE 79 far 0 63 0 - 6.4-7.9 H GLU 94 - QE PHE 104 far 0 53 0 - 6.5-7.4 H LYS 84 - QE PHE 79 far 0 85 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 5674 from cnoeabs.peaks (7.31, 7.31, 131.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 79 + QE PHE 79 OK 100 100 - 100 QE PHE 104 + QE PHE 104 OK 91 91 - 100 Peak 5675 from cnoeabs.peaks (7.25, 7.31, 131.10 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * HZ PHE 79 + QE PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 H PHE 99 - QE PHE 104 far 14 91 15 - 3.1-3.8 HE22 GLN 86 - QE PHE 79 far 0 91 0 - 3.4-4.8 H PHE 99 - QE PHE 79 far 0 100 0 - 6.3-7.0 HZ PHE 79 - QE PHE 104 far 0 92 0 - 7.1-8.8 Violated in 0 structures by 0.00 A. Peak 5677 from cnoeabs.peaks (7.31, 7.25, 130.43 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * QE PHE 79 + HZ PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 86 - HZ PHE 79 far 0 67 0 - 4.8-6.3 QD PHE 99 - HZ PHE 79 far 0 100 0 - 6.0-7.2 QE PHE 104 - HZ PHE 79 far 0 100 0 - 7.1-8.8 HE3 TRP 80 - HZ PHE 79 far 0 100 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 5678 from cnoeabs.peaks (7.25, 7.25, 130.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 79 + HZ PHE 79 OK 100 100 - 100 Peak 5688 from cnoeabs.peaks (7.30, 7.30, 119.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 80 + HE3 TRP 80 OK 100 100 - 100 Peak 5693 from cnoeabs.peaks (7.30, 7.22, 121.83 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HE3 TRP 80 + HZ3 TRP 80 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 81 - HZ3 TRP 80 poor 14 71 45 42 2.7-6.3 3.5/10650=23...(3) HH2 TRP 42 - HZ3 TRP 80 far 0 87 0 - 5.3-6.7 H ASN 20 - HZ3 TRP 80 far 0 99 0 - 6.4-7.4 HZ3 TRP 42 - HZ3 TRP 80 far 0 65 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 5694 from cnoeabs.peaks (7.22, 7.22, 121.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 80 + HZ3 TRP 80 OK 100 100 - 100 Peak 5695 from cnoeabs.peaks (6.81, 7.22, 121.83 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: * HZ2 TRP 80 + HZ3 TRP 80 OK 100 100 100 100 4.3-4.3 4.3=100 HD1 TRP 42 + HZ3 TRP 80 OK 93 94 100 99 4.1-5.0 10712=75, 2.6/10777=64...(8) Violated in 0 structures by 0.00 A. Peak 5696 from cnoeabs.peaks (6.88, 7.22, 121.83 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 80 + HZ3 TRP 80 OK 100 100 100 100 2.4-2.4 2.4=100 QD PHE 41 - HZ3 TRP 80 far 0 87 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 5698 from cnoeabs.peaks (7.30, 6.81, 114.33 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: H ASN 20 + HZ2 TRP 80 OK 98 98 100 100 2.7-3.5 8114=92, 3.6/10513=59...(9) * HE3 TRP 80 + HZ2 TRP 80 OK 83 100 100 83 5.0-5.0 5.0=74, 8875/10863=27...(4) HE22 GLN 81 - HZ2 TRP 80 far 4 71 5 - 5.0-10.0 HH2 TRP 42 - HZ2 TRP 80 far 0 86 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 5699 from cnoeabs.peaks (7.22, 6.81, 114.33 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 80 + HZ2 TRP 80 OK 100 100 100 100 4.3-4.3 4.3=100 HD21 ASN 85 - HZ2 TRP 80 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 5700 from cnoeabs.peaks (6.81, 6.81, 114.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 80 + HZ2 TRP 80 OK 100 100 - 100 Peak 5701 from cnoeabs.peaks (6.88, 6.81, 114.33 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 80 + HZ2 TRP 80 OK 100 100 100 100 2.5-2.5 2.5=100 QD PHE 41 - HZ2 TRP 80 far 0 86 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 5703 from cnoeabs.peaks (7.30, 6.88, 124.11 ppm; 4.71 A): 2 out of 5 assignments used, quality = 1.00: * HE3 TRP 80 + HH2 TRP 80 OK 100 100 100 100 4.3-4.3 4.3=100 H ASN 20 + HH2 TRP 80 OK 83 98 85 99 4.4-5.4 8114/2.5=91...(6) HE22 GLN 81 - HH2 TRP 80 poor 14 71 50 38 3.1-7.9 5.9/10515=15...(4) HH2 TRP 42 - HH2 TRP 80 far 0 87 0 - 7.2-8.8 HZ3 TRP 42 - HH2 TRP 80 far 0 65 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 5704 from cnoeabs.peaks (7.22, 6.88, 124.11 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 80 + HH2 TRP 80 OK 100 100 100 100 2.4-2.4 2.4=100 HD21 ASN 85 - HH2 TRP 80 far 0 100 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 5705 from cnoeabs.peaks (6.81, 6.88, 124.11 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HZ2 TRP 80 + HH2 TRP 80 OK 100 100 100 100 2.5-2.5 2.5=100 HD1 TRP 42 - HH2 TRP 80 far 0 94 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 5706 from cnoeabs.peaks (6.88, 6.88, 124.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 80 + HH2 TRP 80 OK 100 100 - 100 Peak 5707 from cnoeabs.peaks (5.11, 7.31, 132.56 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 99 + QD PHE 99 OK 100 100 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 5708 from cnoeabs.peaks (7.31, 7.31, 132.56 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 99 + QD PHE 99 OK 99 99 - 100 Peak 5709 from cnoeabs.peaks (7.05, 7.31, 132.56 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.99: * QE PHE 99 + QD PHE 99 OK 99 99 100 100 2.2-2.2 2.2=100 HE22 GLN 72 - QD PHE 99 far 0 99 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 5711 from cnoeabs.peaks (7.31, 7.05, 130.40 ppm; 3.39 A): 2 out of 6 assignments used, quality = 1.00: * QD PHE 99 + QE PHE 99 OK 99 99 100 100 2.2-2.2 2.2=100 QE PHE 79 + QE PHE 99 OK 83 100 95 88 3.5-4.0 2.2/10841=38, ~10846=28...(14) QE PHE 104 - QE PHE 99 far 0 100 0 - 4.7-5.5 HE22 GLN 86 - QE PHE 99 far 0 65 0 - 8.3-9.2 HE3 TRP 80 - QE PHE 99 far 0 99 0 - 8.4-8.8 HE3 TRP 48 - QE PHE 40 far 0 53 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 5712 from cnoeabs.peaks (7.05, 7.05, 130.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 99 + QE PHE 99 OK 100 100 - 100 QE PHE 40 + QE PHE 40 OK 85 85 - 100 Peak 5713 from cnoeabs.peaks (6.93, 7.05, 130.40 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: * HZ PHE 99 + QE PHE 99 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 41 - QE PHE 40 far 0 62 0 - 7.0-8.2 QE PHE 41 - QE PHE 40 far 0 55 0 - 8.1-9.7 HE21 GLN 72 - QE PHE 99 far 0 85 0 - 9.0-9.9 H LEU 17 - QE PHE 99 far 0 99 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 5714 from cnoeabs.peaks (7.31, 6.93, 128.33 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * QD PHE 99 + HZ PHE 99 OK 100 100 100 100 3.8-3.8 3.8=100 QE PHE 79 + HZ PHE 99 OK 55 100 55 99 4.7-5.4 4.4/9992=51...(11) QE PHE 104 - HZ PHE 99 far 0 100 0 - 6.5-7.6 HE22 GLN 86 - HZ PHE 99 far 0 65 0 - 8.4-9.4 HE3 TRP 80 - HZ PHE 99 far 0 100 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 5715 from cnoeabs.peaks (7.05, 6.93, 128.33 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 99 + HZ PHE 99 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5716 from cnoeabs.peaks (6.93, 6.93, 128.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 99 + HZ PHE 99 OK 100 100 - 100 Peak 5717 from cnoeabs.peaks (5.25, 7.17, 131.44 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: * HA PHE 104 + QD PHE 104 OK 98 98 100 100 2.8-3.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 5718 from cnoeabs.peaks (2.93, 7.17, 131.44 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 104 + QD PHE 104 OK 98 98 100 100 2.3-2.5 2.5=100 HB3 PHE 104 + QD PHE 104 OK 98 98 100 100 2.3-2.4 2.5=100 Violated in 0 structures by 0.00 A. Peak 5719 from cnoeabs.peaks (2.94, 7.17, 131.44 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 104 + QD PHE 104 OK 98 98 100 100 2.3-2.4 2.5=100 HB2 PHE 104 + QD PHE 104 OK 98 98 100 100 2.3-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5720 from cnoeabs.peaks (7.17, 7.17, 131.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QD PHE 104 + QD PHE 104 OK 98 98 - 100 Peak 5721 from cnoeabs.peaks (7.30, 7.17, 131.44 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.97: * QE PHE 104 + QD PHE 104 OK 97 97 100 100 2.2-2.2 2.2=100 QD PHE 99 - QD PHE 104 far 0 97 0 - 5.2-6.0 QE PHE 79 - QD PHE 104 far 0 98 0 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 5723 from cnoeabs.peaks (7.17, 7.30, 131.11 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.92: * QD PHE 104 + QE PHE 104 OK 92 92 100 100 2.2-2.2 2.2=100 QD PHE 104 - QE PHE 79 far 0 100 0 - 6.5-8.2 HD1 TRP 16 - QE PHE 104 far 0 82 0 - 6.5-7.6 HD1 TRP 16 - QE PHE 79 far 0 94 0 - 7.4-9.4 HD21 ASN 85 - QE PHE 79 far 0 61 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 5724 from cnoeabs.peaks (7.30, 7.30, 131.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QE PHE 79 + QE PHE 79 OK 100 100 - 100 * QE PHE 104 + QE PHE 104 OK 91 91 - 100 Peak 5725 from cnoeabs.peaks (6.85, 7.30, 131.11 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.91: * HZ PHE 104 + QE PHE 104 OK 91 91 100 100 2.2-2.2 2.2=100 HZ PHE 104 - QE PHE 79 far 0 100 0 - 5.2-6.5 Violated in 0 structures by 0.00 A. Peak 5726 from cnoeabs.peaks (7.17, 6.85, 128.55 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.93: * QD PHE 104 + HZ PHE 104 OK 93 93 100 100 3.8-3.8 3.8=100 HD1 TRP 16 - HZ PHE 104 far 0 83 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 5727 from cnoeabs.peaks (7.30, 6.85, 128.55 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.99: * QE PHE 104 + HZ PHE 104 OK 92 92 100 100 2.2-2.2 2.2=100 QD PHE 99 + HZ PHE 104 OK 90 92 100 98 2.0-2.9 10845=70, 8844/11147=34...(14) QE PHE 79 - HZ PHE 104 far 0 93 0 - 5.2-6.5 Violated in 0 structures by 0.00 A. Peak 5728 from cnoeabs.peaks (6.85, 6.85, 128.55 ppm; diagonal): 1 out of 1 assignment used, quality = 0.91: * HZ PHE 104 + HZ PHE 104 OK 91 91 - 100 Peak 8019 from cnoeabs.peaks (5.91, 0.84, 20.69 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 8021 from cnoeabs.peaks (7.23, 4.08, 69.80 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.94: QE PHE 10 + HB THR 8 OK 83 93 100 89 3.5-3.8 ~8025=40, 2.2/8694=39...(7) HZ3 TRP 60 + HB THR 8 OK 47 99 100 47 2.0-2.4 8024/2.1=28, ~8024=13...(4) HH2 TRP 60 + HB THR 8 OK 35 82 90 48 4.1-4.6 8024/2.1=24, ~8024=15...(4) HD1 TRP 60 - HB THR 8 far 0 65 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 8022 from cnoeabs.peaks (8.18, 1.08, 21.11 ppm; 3.44 A): 0 out of 3 assignments used, quality = 0.00: H VAL 29 - QG2 THR 8 far 0 96 0 - 4.4-4.5 H PHE 10 - QG2 THR 8 far 0 100 0 - 5.1-5.2 H VAL 6 - QG2 THR 8 far 0 63 0 - 6.6-7.7 Violated in 20 structures by 0.73 A. Peak 8023 from cnoeabs.peaks (7.33, 1.08, 21.11 ppm; 4.06 A increased from 3.61 A): 2 out of 2 assignments used, quality = 0.87: HZ PHE 10 + QG2 THR 8 OK 80 98 100 82 3.8-4.0 3.8/8025=46, 2.2/8024=34...(7) HE3 TRP 60 + QG2 THR 8 OK 33 71 100 45 3.7-3.9 2.5/8024=27, 4.3/8024=15 Violated in 0 structures by 0.00 A. Peak 8024 from cnoeabs.peaks (7.23, 1.08, 21.11 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.96: QE PHE 10 + QG2 THR 8 OK 75 90 100 84 3.6-3.7 2.2/8025=40, 2.2/8023=33...(11) HZ3 TRP 60 + QG2 THR 8 OK 63 99 100 64 1.9-2.0 10811/8168=16...(10) HH2 TRP 60 + QG2 THR 8 OK 54 77 100 70 2.4-2.8 10812/10325=33...(11) HD1 TRP 60 - QG2 THR 8 far 0 71 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 8025 from cnoeabs.peaks (7.05, 1.08, 21.11 ppm; 4.34 A increased from 3.65 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 10 + QG2 THR 8 OK 99 100 100 99 4.1-4.2 9015/8686=53...(12) HD21 ASN 68 - QG2 THR 8 far 0 100 0 - 9.2-9.5 H LYS 58 - QG2 THR 8 far 0 63 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 8026 from cnoeabs.peaks (6.71, 1.08, 21.11 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.96: HE22 GLN 27 + QG2 THR 8 OK 96 96 100 100 3.2-3.5 10325=87, 1.7/8168=76...(12) Violated in 0 structures by 0.00 A. Peak 8028 from cnoeabs.peaks (3.64, 1.08, 21.11 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: HB3 SER 34 + QG2 THR 8 OK 98 99 100 99 4.2-4.8 10350/8030=90...(8) HB2 SER 9 + QG2 THR 8 OK 98 100 100 98 4.4-5.0 3.0/10280=69...(9) HB3 SER 9 - QG2 THR 8 far 0 100 0 - 5.1-5.4 HA2 GLY 30 - QG2 THR 8 far 0 75 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 8030 from cnoeabs.peaks (0.72, 1.08, 21.11 ppm; 2.90 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 29 + QG2 THR 8 OK 98 100 100 98 1.9-2.0 8196=70, 2.1/9061=37...(13) QG1 VAL 29 - QG2 THR 8 far 0 79 0 - 3.7-3.8 Violated in 0 structures by 0.00 A. Peak 8031 from cnoeabs.peaks (1.96, 1.08, 21.11 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.97: HB2 GLN 27 + QG2 THR 8 OK 97 99 100 98 3.3-3.6 3.0/8032=51, 3.0/8693=44...(14) HB3 GLN 27 - QG2 THR 8 far 0 98 0 - 4.4-4.7 HB VAL 6 - QG2 THR 8 far 0 81 0 - 5.3-5.9 HB2 LYS 31 - QG2 THR 8 far 0 98 0 - 7.5-8.1 HB2 GLU 54 - QG2 THR 8 far 0 99 0 - 9.9-10.5 HB VAL 69 - QG2 THR 8 far 0 100 0 - 9.9-10.1 Violated in 3 structures by 0.01 A. Peak 8032 from cnoeabs.peaks (2.07, 1.08, 21.11 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLN 27 + QG2 THR 8 OK 100 100 100 100 2.1-3.9 8194/8030=65...(15) HG2 PRO 35 - QG2 THR 8 far 0 100 0 - 9.4-9.7 Violated in 1 structures by 0.00 A. Peak 8036 from cnoeabs.peaks (1.61, 3.65, 64.29 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 28 + HB2 SER 9 OK 99 100 100 100 1.8-1.9 785/8040=52, 8704/3.0=49...(22) HB ILE 28 + HB3 SER 9 OK 99 100 100 99 2.3-3.3 8704/3.0=49, 8171=45...(20) QB ALA 62 - HB3 SER 9 far 0 63 0 - 6.6-7.5 HB ILE 11 - HB2 SER 9 far 0 94 0 - 7.0-8.4 HB ILE 11 - HB3 SER 9 far 0 94 0 - 7.2-8.9 QB ALA 62 - HB2 SER 9 far 0 63 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 8037 from cnoeabs.peaks (0.78, 3.65, 64.29 ppm; 3.43 A): 2 out of 10 assignments used, quality = 1.00: QG2 ILE 28 + HB2 SER 9 OK 99 100 100 99 2.1-2.9 8174=38, 4.0/9049=34...(23) QG2 ILE 28 + HB3 SER 9 OK 99 100 100 99 3.2-3.8 8174=38, 2.1/8036=33...(21) QD1 ILE 11 - HB2 SER 9 far 0 97 0 - 4.4-5.6 QD1 ILE 11 - HB3 SER 9 far 0 98 0 - 5.0-6.7 QG1 VAL 29 - HB2 SER 9 far 0 82 0 - 6.9-7.9 QD2 LEU 36 - HB2 SER 9 far 0 98 0 - 7.1-7.8 QD2 LEU 36 - HB3 SER 9 far 0 99 0 - 7.3-8.1 QG2 VAL 69 - HB3 SER 9 far 0 100 0 - 8.0-8.8 QG1 VAL 29 - HB3 SER 9 far 0 82 0 - 8.1-8.5 QG2 VAL 69 - HB2 SER 9 far 0 100 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 8038 from cnoeabs.peaks (1.61, 3.65, 64.29 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 28 + HB2 SER 9 OK 99 100 100 100 1.8-1.9 785/8040=54, 8704/3.0=51...(22) HB ILE 28 + HB3 SER 9 OK 99 100 100 99 2.3-3.3 8704/3.0=51, 8171=47...(20) QB ALA 62 - HB3 SER 9 far 0 63 0 - 6.6-7.5 HB ILE 11 - HB2 SER 9 far 0 94 0 - 7.0-8.4 HB ILE 11 - HB3 SER 9 far 0 94 0 - 7.2-8.9 QB ALA 62 - HB2 SER 9 far 0 63 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 8040 from cnoeabs.peaks (0.69, 3.65, 64.29 ppm; 3.33 A): 1 out of 4 assignments used, quality = 0.96: QD1 ILE 28 + HB2 SER 9 OK 96 98 100 99 2.7-3.2 8170=40, 8170/1.8=31...(23) QD1 ILE 28 - HB3 SER 9 far 10 97 10 - 3.0-4.0 QG2 VAL 29 - HB2 SER 9 far 0 77 0 - 5.9-6.5 QG2 VAL 29 - HB3 SER 9 far 0 77 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 8044 from cnoeabs.peaks (0.97, 2.66, 41.66 ppm; 3.72 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 25 + HB3 PHE 10 OK 100 100 100 100 2.6-2.7 8950=100, 8968/2.5=71...(11) HG13 ILE 28 - HB3 PHE 10 far 0 94 0 - 5.8-6.0 QG2 THR 37 - HB3 PHE 10 far 0 85 0 - 5.8-6.1 QG1 VAL 25 - HB3 ASP 65 far 0 72 0 - 6.3-6.8 QG2 THR 37 - HB3 ASP 65 far 0 55 0 - 8.4-9.2 QG1 VAL 76 - HE2 LYS 84 far 0 35 0 - 9.2-11.3 QG1 VAL 14 - HE2 LYS 84 far 0 43 0 - 9.5-11.8 HG3 LYS 52 - HB3 ASP 65 far 0 46 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 8045 from cnoeabs.peaks (5.02, 5.32, 56.62 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 27 + HA PHE 10 OK 100 100 100 100 1.9-2.1 9003=92, 6351/8176=57...(18) HA PRO 35 - HA PHE 10 far 0 88 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 8049 from cnoeabs.peaks (2.34, 1.63, 42.55 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASP 26 + HB ILE 11 OK 96 97 100 99 3.6-3.9 ~11205=33, ~8050=32...(25) HB2 ASP 26 + HB ILE 11 OK 91 93 100 97 2.4-2.6 11205/2.1=48...(22) HB2 GLU 101 - HB ILE 11 far 0 96 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 8050 from cnoeabs.peaks (2.28, 0.85, 17.61 ppm; 4.17 A increased from 3.51 A): 1 out of 6 assignments used, quality = 0.61: HB2 ASP 26 + QG2 ILE 11 OK 61 61 100 100 3.9-4.2 8988=49, 11209/2.1=45...(21) HG2 GLN 72 - QG2 ILE 11 far 0 99 0 - 5.4-5.7 HB3 GLN 72 - QG2 ILE 11 far 0 100 0 - 6.4-6.6 HG2 GLU 101 - QG2 ILE 11 far 0 100 0 - 6.4-6.9 HG3 GLU 101 - QG2 ILE 11 far 0 100 0 - 6.9-7.3 HG2 GLN 96 - QG2 ILE 11 far 0 94 0 - 8.7-9.5 Violated in 1 structures by 0.00 A. Peak 8051 from cnoeabs.peaks (2.34, 1.05, 27.04 ppm; 4.49 A increased from 3.99 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASP 26 + HG12 ILE 11 OK 97 97 100 100 3.6-4.7 8052/2.1=47, ~11205=46...(23) HB2 ASP 26 + HG12 ILE 11 OK 93 93 100 100 3.4-4.5 11205/172=69...(20) HB2 GLU 101 - HG12 ILE 11 far 0 96 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 8052 from cnoeabs.peaks (2.34, 0.77, 13.56 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: HB3 ASP 26 + QD1 ILE 11 OK 97 97 100 100 1.9-2.6 8217/8213=43...(30) HB2 ASP 26 + QD1 ILE 11 OK 92 93 100 99 1.9-2.9 11205/167=49...(25) HG2 GLU 54 - QD1 ILE 23 far 0 94 0 - 7.3-7.8 HB2 GLU 101 - QD1 ILE 11 far 0 96 0 - 7.8-8.7 HG2 GLU 75 - QD1 ILE 23 far 0 62 0 - 8.1-8.6 HB2 GLN 81 - QD1 ILE 23 far 0 88 0 - 9.3-10.7 HB2 ASP 26 - QD1 ILE 23 far 0 85 0 - 9.4-10.0 HB3 LEU 17 - QD1 ILE 23 far 0 80 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 8053 from cnoeabs.peaks (1.28, 0.85, 17.61 ppm; 4.04 A increased from 3.40 A): 1 out of 2 assignments used, quality = 0.99: HG12 ILE 28 + QG2 ILE 11 OK 99 99 100 100 3.8-4.0 2.1/8762=89, 8766/172=49...(15) HB2 LYS 13 - QG2 ILE 11 far 0 81 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 8055 from cnoeabs.peaks (1.85, 0.85, 17.61 ppm; 4.04 A increased from 3.40 A): 2 out of 3 assignments used, quality = 0.98: HB3 LEU 12 + QG2 ILE 11 OK 96 99 100 96 3.8-3.9 6104/6098=73...(7) HB VAL 103 + QG2 ILE 11 OK 53 96 85 65 4.0-5.2 4.0/8736=41, 8759/2.1=18...(5) HB VAL 76 - QG2 ILE 11 far 0 99 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 8057 from cnoeabs.peaks (1.52, 0.77, 13.56 ppm; 2.72 A): 2 out of 8 assignments used, quality = 0.95: QB ALA 73 + QD1 ILE 23 OK 92 95 100 96 2.2-2.3 8493=59, 8495/8144=38...(15) HB3 LEU 51 + QD1 ILE 23 OK 46 55 100 83 2.5-3.2 3.1/8144=37, 1.8/9398=27...(14) HG LEU 12 - QD1 ILE 23 far 0 95 0 - 5.0-5.3 HB3 LEU 109 - QD1 ILE 11 far 0 71 0 - 6.4-18.6 HG LEU 109 - QD1 ILE 11 far 0 98 0 - 6.6-20.2 HG LEU 12 - QD1 ILE 11 far 0 100 0 - 7.1-7.6 QB ALA 73 - QD1 ILE 11 far 0 100 0 - 8.3-9.1 HB3 LEU 51 - QD1 ILE 11 far 0 61 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 8058 from cnoeabs.peaks (3.58, 0.77, 13.56 ppm; 3.51 A): 1 out of 4 assignments used, quality = 0.95: HA TRP 48 + QD1 ILE 23 OK 95 95 100 100 1.9-2.3 9318=99, 9405/8144=43...(17) HA THR 74 - QD1 ILE 23 far 0 62 0 - 5.0-5.2 HA ILE 67 - QD1 ILE 23 far 0 89 0 - 9.1-9.3 HA2 GLY 30 - QD1 ILE 11 far 0 70 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 8059 from cnoeabs.peaks (5.33, 1.63, 42.55 ppm; 3.95 A): 0 out of 4 assignments used, quality = 0.00: HA ASP 26 - HB ILE 11 far 0 98 0 - 4.9-5.3 HA PHE 10 - HB ILE 11 far 0 100 0 - 5.1-5.1 HG1 THR 37 - HB ILE 11 far 0 63 0 - 8.2-8.5 HA VAL 14 - HB ILE 11 far 0 59 0 - 9.2-9.4 Violated in 20 structures by 0.54 A. Peak 8060 from cnoeabs.peaks (5.32, 0.85, 17.61 ppm; 3.76 A): 0 out of 2 assignments used, quality = 0.00: HA PHE 10 - QG2 ILE 11 far 0 100 0 - 5.0-5.1 HA ASP 26 - QG2 ILE 11 far 0 100 0 - 6.1-6.4 Violated in 20 structures by 1.08 A. Peak 8061 from cnoeabs.peaks (4.25, 0.85, 17.61 ppm; 4.31 A increased from 3.83 A): 1 out of 5 assignments used, quality = 0.78: HA VAL 102 + QG2 ILE 11 OK 78 98 100 80 4.0-4.2 3.5/8736=52...(4) HA ILE 28 - QG2 ILE 11 far 0 100 0 - 5.9-6.0 HA LEU 109 - QG2 ILE 11 far 0 100 0 - 7.9-18.0 HA ALA 24 - QG2 ILE 11 far 0 100 0 - 8.6-8.8 HA VAL 29 - QG2 ILE 11 far 0 92 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 8062 from cnoeabs.peaks (4.25, 0.77, 13.56 ppm; 4.10 A): 3 out of 11 assignments used, quality = 1.00: HA ILE 28 + QD1 ILE 11 OK 100 100 100 100 2.9-3.5 3.0/8743=59...(15) HA ALA 24 + QD1 ILE 23 OK 94 95 100 99 4.5-4.7 3.0/6297=54, 8956/4.2=37...(16) HA ALA 47 + QD1 ILE 23 OK 85 85 100 99 3.4-3.7 2.1/8303=87, ~8305=52...(9) HB THR 74 - QD1 ILE 23 far 0 84 0 - 6.3-6.5 HA VAL 29 - QD1 ILE 11 far 0 98 0 - 6.5-7.2 HA LEU 109 - QD1 ILE 11 far 0 98 0 - 6.5-17.1 HA VAL 102 - QD1 ILE 11 far 0 100 0 - 6.6-7.2 HA ALA 24 - QD1 ILE 11 far 0 100 0 - 7.9-9.3 HA VAL 102 - QD1 ILE 23 far 0 95 0 - 8.1-8.3 HA SER 38 - QD1 ILE 23 far 0 94 0 - 8.6-8.9 HA SER 38 - QD1 ILE 11 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 8063 from cnoeabs.peaks (5.32, 0.77, 13.56 ppm; 4.59 A): 2 out of 3 assignments used, quality = 1.00: HA PHE 10 + QD1 ILE 11 OK 100 100 100 100 2.6-4.4 6081/6092=81...(15) HA ASP 26 + QD1 ILE 11 OK 99 99 100 100 3.4-4.8 3.0/10322=72...(29) HA ASP 26 - QD1 ILE 23 far 0 94 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 8069 from cnoeabs.peaks (3.82, 0.85, 23.88 ppm; 3.73 A): 1 out of 6 assignments used, quality = 1.00: HA ALA 73 + QD1 LEU 12 OK 100 100 100 100 2.5-3.0 8490/2.1=82, 3.0/8487=60...(19) HA ALA 73 - QG2 VAL 25 far 0 98 0 - 5.6-6.0 HA ALA 73 - QD1 LEU 51 far 0 93 0 - 6.9-7.3 HB2 SER 105 - QD1 LEU 12 far 0 100 0 - 9.6-11.7 HB2 PHE 79 - QD1 LEU 12 far 0 81 0 - 9.7-10.4 HB3 SER 105 - QD1 LEU 12 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8070 from cnoeabs.peaks (0.48, 1.53, 26.71 ppm; 3.85 A): 1 out of 5 assignments used, quality = 0.88: QG2 VAL 14 + HG LEU 12 OK 88 93 100 94 2.6-3.0 8090=50, 8812/2.1=45...(12) QD2 LEU 51 - HG LEU 12 far 0 100 0 - 4.5-4.9 QD2 LEU 51 - HG LEU 36 far 0 47 0 - 7.2-7.6 HG12 ILE 77 - HG LEU 12 far 0 95 0 - 8.1-8.4 QG2 VAL 14 - HG LEU 109 far 0 92 0 - 9.1-17.1 Violated in 0 structures by 0.00 A. Peak 8071 from cnoeabs.peaks (0.32, 0.85, 23.88 ppm; 2.80 A): 1 out of 13 assignments used, quality = 0.84: QD2 LEU 55 + QD1 LEU 51 OK 84 91 100 92 2.4-2.8 9510=46, 2.1/10289=33...(17) QD2 LEU 55 - QG2 VAL 25 poor 19 97 20 - 3.3-3.6 QG2 VAL 76 - QD1 LEU 12 far 0 82 0 - 4.3-4.7 QG2 ILE 61 - QD1 LEU 51 far 0 86 0 - 5.5-5.8 QG2 ILE 61 - QG2 VAL 25 far 0 92 0 - 5.9-6.3 QD2 LEU 55 - QD1 LEU 12 far 0 99 0 - 5.9-6.1 QG2 VAL 76 - QG2 VAL 25 far 0 79 0 - 6.9-7.1 QG1 VAL 21 - QD1 LEU 12 far 0 98 0 - 7.0-7.3 QG2 ILE 61 - QD1 LEU 12 far 0 95 0 - 8.4-8.7 QG2 VAL 76 - QD1 LEU 51 far 0 72 0 - 8.4-8.7 HB2 LYS 58 - QD1 LEU 51 far 0 67 0 - 9.0-9.7 QG1 VAL 21 - QG2 VAL 25 far 0 96 0 - 9.3-9.6 QG1 VAL 21 - QD1 LEU 51 far 0 90 0 - 9.4-9.8 Violated in 1 structures by 0.00 A. Peak 8072 from cnoeabs.peaks (0.29, 0.63, 25.54 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 76 + QD2 LEU 12 OK 100 100 100 100 2.5-2.8 8504=95, 10211/10212=46...(14) QG1 VAL 21 - QD2 LEU 12 far 0 97 0 - 7.2-7.4 QD2 LEU 55 - QD2 LEU 12 far 0 65 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 8073 from cnoeabs.peaks (0.21, 0.63, 25.54 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.98: QG1 VAL 102 + QD2 LEU 12 OK 98 98 100 100 1.8-1.9 8526=90, 2.1/10212=81...(25) QB ALA 24 - QD2 LEU 12 far 0 96 0 - 5.6-6.3 HG2 LYS 98 - QD2 LEU 12 far 0 63 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 8074 from cnoeabs.peaks (0.95, 0.63, 25.54 ppm; 3.87 A increased from 3.44 A): 2 out of 7 assignments used, quality = 0.99: QG1 VAL 76 + QD2 LEU 12 OK 98 98 100 100 3.7-3.9 2.1/8072=87, 2.1/9952=71...(12) QG1 VAL 14 + QD2 LEU 12 OK 49 100 55 89 4.3-4.7 ~8070=43, 10853/8526=40...(10) QG1 VAL 25 - QD2 LEU 12 far 0 90 0 - 6.0-6.2 QG2 THR 74 - QD2 LEU 12 far 0 99 0 - 6.2-6.5 HB2 LEU 15 - QD2 LEU 12 far 0 100 0 - 8.0-8.5 HG3 LYS 52 - QD2 LEU 12 far 0 98 0 - 9.2-11.8 HG13 ILE 28 - QD2 LEU 12 far 0 100 0 - 9.7-9.8 Violated in 0 structures by 0.00 A. Peak 8075 from cnoeabs.peaks (1.98, 0.63, 25.54 ppm; 3.43 A): 1 out of 7 assignments used, quality = 0.98: HB2 GLN 72 + QD2 LEU 12 OK 98 99 100 100 2.4-2.6 1.8/8476=56, 3.0/9880=43...(22) HB3 GLU 101 - QD2 LEU 12 far 7 68 10 - 3.8-4.5 HB VAL 69 - QD2 LEU 12 far 0 99 0 - 4.5-5.0 HB3 LEU 70 - QD2 LEU 12 far 0 71 0 - 6.9-7.5 HG2 PRO 100 - QD2 LEU 12 far 0 92 0 - 7.5-7.9 HB3 PRO 100 - QD2 LEU 12 far 0 98 0 - 8.1-8.6 HG3 PRO 100 - QD2 LEU 12 far 0 92 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 8076 from cnoeabs.peaks (2.27, 0.63, 25.54 ppm; 3.38 A): 2 out of 7 assignments used, quality = 1.00: HB3 GLN 72 + QD2 LEU 12 OK 100 100 100 100 3.7-3.8 1.8/8075=70, 8476=61...(24) HG2 GLN 72 + QD2 LEU 12 OK 93 93 100 100 1.8-1.9 9880=55, 8775/2.1=54...(23) HB2 GLU 75 - QD2 LEU 12 far 0 100 0 - 5.1-5.3 HG3 GLU 101 - QD2 LEU 12 far 0 99 0 - 5.4-6.0 HG2 GLU 101 - QD2 LEU 12 far 0 100 0 - 6.3-6.8 HB3 GLU 75 - QD2 LEU 12 far 0 100 0 - 6.5-6.7 HG2 GLN 96 - QD2 LEU 12 far 0 99 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 8077 from cnoeabs.peaks (1.96, 0.85, 23.88 ppm; 3.16 A): 3 out of 22 assignments used, quality = 0.99: HB VAL 69 + QD1 LEU 12 OK 88 100 100 88 3.0-3.5 11167=38, ~11219=20...(13) HB VAL 69 + QG2 VAL 25 OK 76 98 100 77 1.8-1.8 11167=33, 2.1/9402=20...(13) HB2 GLU 54 + QD1 LEU 51 OK 64 92 75 93 3.3-3.8 1.8/10683=49...(11) HB VAL 69 - QD1 LEU 51 far 14 93 15 - 3.6-4.0 HB2 GLN 72 - QD1 LEU 12 far 0 84 0 - 4.3-4.6 HB3 LEU 70 - QG2 VAL 25 far 0 92 0 - 5.6-5.9 HB2 GLU 54 - QG2 VAL 25 far 0 97 0 - 5.8-6.1 HB3 LEU 70 - QD1 LEU 12 far 0 95 0 - 5.8-6.2 HB3 LEU 70 - QD1 LEU 51 far 0 86 0 - 5.9-6.1 HB3 GLU 101 - QD1 LEU 12 far 0 93 0 - 6.0-6.4 HB2 GLN 72 - QG2 VAL 25 far 0 81 0 - 6.4-6.6 HB2 GLN 27 - QG2 VAL 25 far 0 97 0 - 6.8-7.3 HB3 GLN 27 - QG2 VAL 25 far 0 96 0 - 6.9-7.3 HB3 GLN 27 - QD1 LEU 51 far 0 90 0 - 7.2-7.8 HB3 GLU 101 - QG2 VAL 25 far 0 90 0 - 7.3-7.7 HB2 GLN 27 - QD1 LEU 51 far 0 92 0 - 7.4-7.8 HB2 GLU 54 - QD1 LEU 12 far 0 99 0 - 8.1-8.5 HB2 GLN 72 - QD1 LEU 51 far 0 74 0 - 8.4-8.8 HB2 GLN 27 - QD1 LEU 12 far 0 99 0 - 9.6-10.1 HB3 GLN 27 - QD1 LEU 12 far 0 98 0 - 9.7-10.1 HB3 GLU 101 - QD1 LEU 51 far 0 83 0 - 9.7-10.1 HG2 PRO 100 - QD1 LEU 12 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8078 from cnoeabs.peaks (3.81, 0.63, 25.54 ppm; 3.13 A): 1 out of 7 assignments used, quality = 1.00: HA ALA 73 + QD2 LEU 12 OK 100 100 100 100 2.1-2.3 8490=93, 8069/2.1=48...(24) HB2 PHE 79 - QD2 LEU 12 far 0 91 0 - 8.0-8.6 HB3 TRP 16 - QD2 LEU 12 far 0 73 0 - 8.9-9.4 HB2 SER 105 - QD2 LEU 12 far 0 100 0 - 9.1-11.2 HB3 SER 105 - QD2 LEU 12 far 0 100 0 - 9.2-10.2 HA TRP 80 - QD2 LEU 12 far 0 59 0 - 9.5-9.9 HA LYS 98 - QD2 LEU 12 far 0 100 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 8080 from cnoeabs.peaks (8.38, 0.63, 25.54 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: H ALA 73 + QD2 LEU 12 OK 100 100 100 100 2.6-3.0 8488=99, 8487/2.1=71...(22) H VAL 103 + QD2 LEU 12 OK 79 99 100 80 3.1-4.0 4.3/10212=43...(5) H ILE 77 - QD2 LEU 12 far 0 63 0 - 4.9-5.1 H TRP 48 - QD2 LEU 12 far 0 77 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 8081 from cnoeabs.peaks (8.41, 0.85, 23.88 ppm; 3.52 A): 2 out of 15 assignments used, quality = 0.91: H ALA 73 + QD1 LEU 12 OK 80 81 100 100 2.8-3.1 8487=79, 8488/2.1=57...(20) H LEU 55 + QD1 LEU 51 OK 55 60 100 92 3.3-3.7 9505=48, 6707/8071=40...(11) H ASP 53 - QD1 LEU 51 far 0 77 0 - 4.8-5.4 H VAL 103 - QD1 LEU 12 far 0 68 0 - 5.0-5.7 H ALA 73 - QG2 VAL 25 far 0 77 0 - 5.1-5.5 H LEU 55 - QG2 VAL 25 far 0 66 0 - 5.8-5.9 H VAL 103 - QG2 VAL 25 far 0 64 0 - 6.4-6.9 H TRP 48 - QD1 LEU 12 far 0 100 0 - 6.4-6.6 H ALA 73 - QD1 LEU 51 far 0 71 0 - 6.5-6.8 H TRP 48 - QD1 LEU 51 far 0 93 0 - 6.8-7.3 H ASP 53 - QG2 VAL 25 far 0 84 0 - 7.2-8.0 H TRP 48 - QG2 VAL 25 far 0 98 0 - 7.6-8.0 H LEU 55 - QD1 LEU 12 far 0 70 0 - 8.0-8.5 H ASP 53 - QD1 LEU 12 far 0 87 0 - 8.6-9.4 H VAL 103 - QD1 LEU 51 far 0 58 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 8084 from cnoeabs.peaks (5.50, 0.50, 23.02 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 23 + QG2 VAL 14 OK 99 99 100 100 2.5-3.3 8925=93, 8814/2.1=68...(13) Violated in 0 structures by 0.00 A. Peak 8085 from cnoeabs.peaks (5.28, 0.50, 23.02 ppm; 3.62 A): 0 out of 2 assignments used, quality = 0.00: HA PHE 104 - QG2 VAL 14 far 0 77 0 - 5.2-5.6 HA ASP 26 - QG2 VAL 14 far 0 71 0 - 9.4-9.7 Violated in 20 structures by 1.74 A. Peak 8090 from cnoeabs.peaks (1.52, 0.50, 23.02 ppm; 3.44 A): 2 out of 6 assignments used, quality = 0.99: HG LEU 12 + QG2 VAL 14 OK 94 100 100 94 2.6-3.0 8070=66, 2.1/8812=44...(12) QB ALA 73 + QG2 VAL 14 OK 82 100 100 82 3.7-4.0 9904/10854=30...(11) HB3 LEU 51 - QG2 VAL 14 far 0 61 0 - 7.2-8.2 HB3 LEU 109 - QG2 VAL 14 far 0 71 0 - 8.9-16.4 HG LEU 109 - QG2 VAL 14 far 0 98 0 - 9.1-17.1 HB3 LEU 83 - QG2 VAL 14 far 0 68 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 8091 from cnoeabs.peaks (1.86, 0.50, 23.02 ppm; 3.93 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 76 + QG2 VAL 14 OK 99 99 100 100 2.7-2.9 2.1/10854=89, 9951=83...(20) HB3 LEU 12 - QG2 VAL 14 far 0 99 0 - 4.6-4.9 HB VAL 103 - QG2 VAL 14 far 0 96 0 - 5.3-6.8 HB2 LEU 17 - QG2 VAL 14 far 0 100 0 - 9.0-9.6 HB3 GLN 96 - QG2 VAL 14 far 0 94 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 8095 from cnoeabs.peaks (0.24, 0.50, 23.02 ppm; 2.99 A): 1 out of 3 assignments used, quality = 0.97: QG1 VAL 102 + QG2 VAL 14 OK 97 99 100 99 1.8-1.9 8527=74, 2.1/10303=49...(22) QB ALA 24 - QG2 VAL 14 far 0 57 0 - 4.7-5.5 HG2 LYS 98 - QG2 VAL 14 far 0 98 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 8099 from cnoeabs.peaks (3.82, 0.44, 23.32 ppm; 3.18 A): 1 out of 7 assignments used, quality = 0.36: HA LYS 98 + HG3 LYS 98 OK 36 37 100 97 2.2-3.3 3.7=63, 2747/3.0=44...(16) HB3 SER 107 - QD2 LEU 15 far 4 75 5 - 3.5-13.0 HB2 SER 105 - QD2 LEU 15 far 0 100 0 - 3.9-6.4 HB3 SER 105 - QD2 LEU 15 far 0 100 0 - 4.2-5.0 HB3 TRP 16 - QD2 LEU 15 far 0 59 0 - 4.3-4.8 HB2 PHE 79 - HG3 LYS 98 far 0 26 0 - 4.4-7.7 HA ALA 73 - HG3 LYS 98 far 0 37 0 - 9.5-13.1 Violated in 2 structures by 0.01 A. Peak 8101 from cnoeabs.peaks (6.34, 0.12, 23.78 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 39 + QD1 LEU 15 OK 98 99 100 100 2.7-3.3 8104/2.1=85, 2.2/8822=81...(10) Violated in 0 structures by 0.00 A. Peak 8102 from cnoeabs.peaks (6.94, 0.12, 23.78 ppm; 4.34 A): 2 out of 5 assignments used, quality = 0.81: QE PHE 41 + QD1 LEU 15 OK 75 77 100 97 3.5-4.3 2.2/8821=73, ~8824=42...(9) QD PHE 41 + QD1 LEU 15 OK 25 65 45 84 4.7-5.6 3.8/8821=54...(7) HD22 ASN 108 - QD1 LEU 15 poor 19 94 20 - 2.7-14.1 H LEU 17 - QD1 LEU 15 far 0 96 0 - 5.6-5.9 HE22 GLN 19 - QD1 LEU 15 far 0 100 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 8104 from cnoeabs.peaks (6.34, 0.44, 23.32 ppm; 4.64 A increased from 4.37 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 39 + QD2 LEU 15 OK 98 98 100 100 4.4-4.6 8101/2.1=66, 2.2/8825=60...(11) Violated in 0 structures by 0.00 A. Peak 8112 from cnoeabs.peaks (6.91, 2.21, 45.42 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.90: QD PHE 41 + HB2 ASN 20 OK 90 100 100 90 2.9-4.1 8113/1.8=71, ~10406=36...(7) HH2 TRP 80 - HB2 ASN 20 far 7 73 10 - 4.7-5.5 H LEU 17 - HB2 ASN 20 far 0 97 0 - 5.6-7.0 HE22 GLN 19 - HB2 ASN 20 far 0 81 0 - 7.3-10.0 Violated in 2 structures by 0.00 A. Peak 8113 from cnoeabs.peaks (6.90, 2.45, 45.42 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.93: QD PHE 41 + HB3 ASN 20 OK 93 100 100 93 3.5-4.3 8112/1.8=79...(6) HH2 TRP 80 - HB3 ASN 20 far 4 88 5 - 4.3-6.2 H LEU 17 - HB3 ASN 20 far 0 88 0 - 5.3-7.9 HE22 GLN 19 - HB3 ASN 20 far 0 63 0 - 6.1-9.4 Violated in 1 structures by 0.00 A. Peak 8117 from cnoeabs.peaks (3.16, 0.31, 20.01 ppm; 4.10 A increased from 3.65 A): 1 out of 4 assignments used, quality = 0.96: HB3 TRP 42 + QG1 VAL 21 OK 96 99 100 97 3.7-4.0 8869/2.1=44, 3.8/9235=44...(10) HB2 TRP 42 - QG1 VAL 21 far 0 99 0 - 4.8-5.0 HB2 TRP 16 - QG1 VAL 21 far 0 85 0 - 7.6-8.5 HB3 ASP 46 - QG1 VAL 21 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 8118 from cnoeabs.peaks (3.40, 0.31, 20.01 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 77 + QG1 VAL 21 OK 100 100 100 100 2.8-3.0 8511=100, 8870/2.1=52...(12) HB3 TRP 48 - QG1 VAL 21 far 0 100 0 - 7.0-8.6 HB3 PHE 40 - QG1 VAL 21 far 0 100 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 8119 from cnoeabs.peaks (0.50, 0.31, 20.01 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.99: HG12 ILE 77 + QG1 VAL 21 OK 99 100 100 99 2.7-2.9 2.1/9976=61, 9974=48...(9) QG2 VAL 14 - QG1 VAL 21 far 0 100 0 - 4.8-5.1 QD2 LEU 51 - QG1 VAL 21 far 0 92 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 8120 from cnoeabs.peaks (0.50, 0.70, 22.15 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.99: HG12 ILE 77 + QG2 VAL 21 OK 95 100 100 95 3.1-3.3 8119/2.1=61, ~9976=32...(9) QG2 VAL 14 + QG2 VAL 21 OK 77 100 100 77 3.2-3.5 8140/11149=34...(6) QD2 LEU 51 - QG2 VAL 21 far 0 92 0 - 7.2-7.7 HG3 LYS 98 - QG2 VAL 21 far 0 90 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 8121 from cnoeabs.peaks (0.96, 0.70, 22.15 ppm; 2.79 A): 2 out of 4 assignments used, quality = 0.95: QG1 VAL 76 + QG2 VAL 21 OK 89 96 100 93 2.7-2.9 8500=79, 9915/8884=21...(10) QG1 VAL 14 + QG2 VAL 21 OK 55 99 100 56 2.4-2.7 2.1/8120=20...(9) HB2 LEU 15 - QG2 VAL 21 far 0 100 0 - 4.8-5.5 QG2 THR 74 - QG2 VAL 21 far 0 100 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 8125 from cnoeabs.peaks (0.44, 0.13, 21.17 ppm; 3.89 A increased from 3.66 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 15 + QB ALA 22 OK 99 100 100 99 3.5-3.8 3.1/8128=66, 3.1/8127=65...(16) QD2 LEU 51 - QB ALA 22 far 0 57 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 8126 from cnoeabs.peaks (0.84, 0.13, 21.17 ppm; 3.34 A increased from 3.15 A): 1 out of 10 assignments used, quality = 0.90: QD1 LEU 17 + QB ALA 22 OK 90 100 100 90 2.9-3.2 393=36, 10309/10310=27...(13) QG2 ILE 23 - QB ALA 22 far 0 61 0 - 4.2-4.3 HG LEU 15 - QB ALA 22 far 0 100 0 - 4.4-5.0 QD2 LEU 17 - QB ALA 22 far 0 100 0 - 4.5-5.1 QD1 LEU 109 - QB ALA 22 far 0 100 0 - 5.2-14.3 QD1 LEU 12 - QB ALA 22 far 0 100 0 - 6.8-6.9 QG1 VAL 103 - QB ALA 22 far 0 77 0 - 7.0-8.7 QD1 LEU 51 - QB ALA 22 far 0 96 0 - 7.7-8.0 QG2 VAL 25 - QB ALA 22 far 0 100 0 - 8.1-8.2 QG2 VAL 102 - QB ALA 22 far 0 100 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 8127 from cnoeabs.peaks (0.94, 0.13, 21.17 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.92: HB2 LEU 15 + QB ALA 22 OK 92 96 100 97 2.7-3.4 1.8/8128=72, 3.1/8125=43...(12) QG1 VAL 14 - QB ALA 22 far 0 100 0 - 4.8-5.3 QG1 VAL 76 - QB ALA 22 far 0 100 0 - 6.4-6.7 QG1 VAL 25 - QB ALA 22 far 0 70 0 - 9.3-9.3 Violated in 1 structures by 0.00 A. Peak 8128 from cnoeabs.peaks (1.22, 0.13, 21.17 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.97: HB3 LEU 15 + QB ALA 22 OK 97 100 100 97 2.3-2.5 1.8/8127=70, 3.1/8125=42...(11) HG13 ILE 23 - QB ALA 22 far 0 99 0 - 4.6-4.8 HB2 LEU 12 - QB ALA 22 far 0 61 0 - 10.0-10.1 Violated in 0 structures by 0.00 A. Peak 8129 from cnoeabs.peaks (2.03, 0.13, 21.17 ppm; 3.45 A): 1 out of 3 assignments used, quality = 0.98: HB2 TYR 39 + QB ALA 22 OK 98 100 100 98 2.1-2.3 2.5/8134=61, 1.8/8130=58...(8) QE MET 92 - QB ALA 22 far 0 100 0 - 9.0-9.7 HG3 GLN 50 - QB ALA 22 far 0 99 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 8130 from cnoeabs.peaks (2.50, 0.13, 21.17 ppm; 3.95 A increased from 3.72 A): 1 out of 2 assignments used, quality = 0.99: HB3 TYR 39 + QB ALA 22 OK 99 99 100 100 3.7-3.8 1.8/8129=87, 2.5/8134=76...(9) HE3 LYS 13 - QB ALA 22 far 0 96 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 8132 from cnoeabs.peaks (4.61, 0.13, 21.17 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: HA PHE 41 + QB ALA 22 OK 100 100 100 100 2.0-2.2 9234=80, 8133/2.1=63...(11) HB THR 37 - QB ALA 22 far 0 93 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 8133 from cnoeabs.peaks (4.61, 5.61, 47.96 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.97: HA PHE 41 + HA ALA 22 OK 97 100 100 98 2.2-2.8 8132/2.1=74...(9) Violated in 0 structures by 0.00 A. Peak 8134 from cnoeabs.peaks (6.60, 0.13, 21.17 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 39 + QB ALA 22 OK 99 100 100 99 2.3-3.0 2.5/8129=61, 2.5/8130=50...(12) Violated in 0 structures by 0.00 A. Peak 8135 from cnoeabs.peaks (6.91, 0.13, 21.17 ppm; 3.48 A): 1 out of 4 assignments used, quality = 0.95: QD PHE 41 + QB ALA 22 OK 95 98 100 98 2.5-3.2 2.2/11151=59...(12) H LEU 17 - QB ALA 22 far 0 99 0 - 5.1-5.8 HH2 TRP 80 - QB ALA 22 far 0 61 0 - 8.4-8.7 HE22 GLN 19 - QB ALA 22 far 0 90 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 8137 from cnoeabs.peaks (9.07, 0.13, 21.17 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: H PHE 40 + QB ALA 22 OK 100 100 100 100 3.5-3.7 8280=100, 6480/9200=59...(11) Violated in 0 structures by 0.00 A. Peak 8139 from cnoeabs.peaks (0.48, 1.77, 41.91 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 51 + HB ILE 23 OK 98 100 100 98 3.5-4.1 8144/645=72, 8932/629=52...(14) QG2 VAL 14 + HB ILE 23 OK 88 91 100 97 3.0-3.4 8140/2.1=45, 8084/3.0=40...(15) HG12 ILE 77 - HB ILE 23 far 0 93 0 - 5.1-5.5 QD2 LEU 15 - HB ILE 23 far 0 57 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 8140 from cnoeabs.peaks (0.48, 0.80, 17.01 ppm; 2.72 A): 2 out of 7 assignments used, quality = 0.97: QG2 VAL 14 + QG2 ILE 23 OK 86 95 100 90 2.3-2.6 8812=35, 3.2/10770=26...(16) HG12 ILE 77 + QG2 ILE 23 OK 77 96 100 80 2.4-2.7 8119/8141=21...(16) QD2 LEU 51 - QG2 ILE 23 far 0 99 0 - 4.2-4.7 HG3 LYS 98 - QG2 ILE 90 far 0 85 0 - 6.4-8.6 HG3 LYS 98 - QG2 ILE 23 far 0 99 0 - 9.9-12.9 HB2 LYS 52 - QG2 ILE 23 far 0 98 0 - 10.0-10.8 QG2 VAL 14 - QG2 ILE 90 far 0 79 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 8141 from cnoeabs.peaks (0.29, 0.80, 17.01 ppm; 3.82 A increased from 3.59 A): 1 out of 5 assignments used, quality = 0.92: QG1 VAL 21 + QG2 ILE 23 OK 92 93 100 99 3.5-3.7 2.1/11149=89, 11148=81...(9) QG2 VAL 76 - QG2 ILE 23 far 0 100 0 - 4.5-4.7 HG2 LYS 98 - QG2 ILE 90 far 0 48 0 - 5.5-7.2 QG2 VAL 76 - QG2 ILE 90 far 0 87 0 - 8.4-9.5 QG1 VAL 21 - QG2 ILE 90 far 0 77 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 8142 from cnoeabs.peaks (0.48, 1.23, 25.35 ppm; 4.82 A increased from 4.06 A): 3 out of 4 assignments used, quality = 1.00: QD2 LEU 51 + HG13 ILE 23 OK 100 100 100 100 4.3-4.9 8144/2.1=99, 8932/1.8=96...(13) HG12 ILE 77 + HG13 ILE 23 OK 95 95 100 100 4.8-5.1 ~8546=79, 2.1/8933=66...(11) QG2 VAL 14 + HG13 ILE 23 OK 91 93 100 98 5.0-5.4 10852/3.0=61...(8) HG3 LYS 98 - HG2 LYS 88 far 0 44 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 8143 from cnoeabs.peaks (1.44, 1.72, 25.35 ppm; 3.74 A): 1 out of 9 assignments used, quality = 0.98: QB ALA 47 + HG12 ILE 23 OK 98 99 100 100 3.1-3.3 8305/1.8=80, 8303/2.1=78...(13) HG LEU 70 - HG LEU 55 far 0 76 0 - 4.8-5.1 QB ALA 57 - HG LEU 55 far 0 80 0 - 6.2-6.4 HB2 LEU 36 - HG LEU 55 far 0 68 0 - 7.0-7.2 QB ALA 45 - HG12 ILE 23 far 0 77 0 - 7.7-8.2 HB ILE 77 - HG12 ILE 23 far 0 88 0 - 7.8-8.0 HG LEU 70 - HG12 ILE 23 far 0 99 0 - 8.1-8.5 HG3 LYS 58 - HG LEU 55 far 0 57 0 - 8.1-8.4 QB ALA 47 - HG LEU 55 far 0 76 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 8144 from cnoeabs.peaks (0.48, 0.75, 13.70 ppm; 2.63 A): 1 out of 7 assignments used, quality = 0.96: QD2 LEU 51 + QD1 ILE 23 OK 96 100 100 96 2.1-2.7 9401=38, 8932/2.1=33...(21) HG12 ILE 77 - QD1 ILE 23 far 0 88 0 - 3.8-4.0 QG2 VAL 14 - QD1 ILE 23 far 0 85 0 - 4.2-4.5 HB2 LYS 52 - QD1 ILE 23 far 0 100 0 - 7.2-8.0 QD2 LEU 51 - QD1 ILE 11 far 0 95 0 - 7.4-8.5 QG2 VAL 14 - QD1 ILE 11 far 0 77 0 - 8.1-8.5 QD2 LEU 15 - QD1 ILE 23 far 0 65 0 - 8.6-8.8 Violated in 4 structures by 0.01 A. Peak 8145 from cnoeabs.peaks (9.07, 0.20, 23.38 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: H PHE 40 + QB ALA 24 OK 100 100 100 100 3.3-3.6 8279=100, 9221/2.1=76...(6) Violated in 0 structures by 0.00 A. Peak 8146 from cnoeabs.peaks (4.52, 0.20, 23.38 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: HA TYR 39 + QB ALA 24 OK 100 100 100 100 2.0-2.5 9199=99, 6480/8279=59...(6) Violated in 0 structures by 0.00 A. Peak 8147 from cnoeabs.peaks (6.60, 0.20, 23.38 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 39 + QB ALA 24 OK 99 100 100 99 2.2-3.2 3.7/9199=67, 2.2/8972=59...(11) Violated in 0 structures by 0.00 A. Peak 8148 from cnoeabs.peaks (0.84, 4.25, 50.30 ppm; 4.05 A increased from 3.60 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 12 + HA ALA 24 OK 97 99 100 97 4.2-4.5 10845/3.0=79, 8779=35...(11) QG2 VAL 25 + HA ALA 24 OK 93 99 100 94 4.1-4.4 4.0/6303=56, 8779=33...(9) QD1 LEU 51 + HA ALA 24 OK 85 93 100 91 3.5-4.1 9220/8966=34, 8779=31...(13) QG2 ILE 23 - HA ALA 24 far 0 68 0 - 5.4-5.4 QG1 VAL 103 - HA ALA 24 far 0 71 0 - 7.0-8.5 QG2 VAL 102 - HA ALA 24 far 0 100 0 - 8.5-9.2 QG2 ILE 11 - HA ALA 24 far 0 98 0 - 8.6-8.8 HG LEU 15 - HA ALA 24 far 0 100 0 - 9.4-10.2 QD1 LEU 17 - HA ALA 24 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8149 from cnoeabs.peaks (0.84, 0.20, 23.38 ppm; 4.58 A increased from 3.86 A): 3 out of 10 assignments used, quality = 1.00: QD1 LEU 12 + QB ALA 24 OK 99 100 100 99 4.4-4.8 10845/2.9=91, ~10846=39...(10) QG2 VAL 25 + QB ALA 24 OK 99 100 100 99 4.4-4.9 4.0/6304=68, 672/4.4=41...(13) QD1 LEU 51 + QB ALA 24 OK 83 98 100 85 4.5-4.9 6307/6304=34...(9) QG1 VAL 103 - QB ALA 24 far 13 84 15 - 4.5-5.7 HG LEU 15 - QB ALA 24 far 0 100 0 - 6.2-6.9 QG2 ILE 11 - QB ALA 24 far 0 100 0 - 6.6-7.2 QG2 VAL 102 - QB ALA 24 far 0 100 0 - 7.2-8.0 QD1 LEU 109 - QB ALA 24 far 0 100 0 - 7.3-11.7 QD1 LEU 17 - QB ALA 24 far 0 99 0 - 7.6-7.9 QD2 LEU 17 - QB ALA 24 far 0 100 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 8150 from cnoeabs.peaks (0.33, 1.71, 35.27 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.98: QD2 LEU 55 + HB VAL 25 OK 98 100 100 98 3.1-3.2 8947/2.1=66, 8071/668=40...(14) QG2 ILE 61 - HB VAL 25 far 0 100 0 - 7.0-7.6 QG1 VAL 21 - HB3 LYS 88 far 0 79 0 - 9.8-10.4 QG2 VAL 76 - HB VAL 25 far 0 63 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 8154 from cnoeabs.peaks (2.82, 0.97, 22.57 ppm; 4.09 A increased from 3.27 A): 1 out of 8 assignments used, quality = 1.00: HB2 PHE 10 + QG1 VAL 25 OK 100 100 100 100 3.9-4.0 1.8/8950=90, 2.5/8968=81...(11) HD2 ARG 66 - QG1 VAL 25 far 0 87 0 - 6.5-8.1 HB3 ASN 108 - QG1 VAL 14 far 0 48 0 - 7.7-15.6 HB2 TRP 48 - QG1 VAL 14 far 0 28 0 - 9.0-10.8 HE3 LYS 52 - QG1 VAL 25 far 0 96 0 - 9.4-10.5 HB2 ASN 78 - QG1 VAL 14 far 0 36 0 - 9.5-9.8 HE3 LYS 84 - QG1 VAL 14 far 0 41 0 - 9.6-11.4 HB2 TRP 48 - QG1 VAL 25 far 0 68 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8155 from cnoeabs.peaks (5.50, 0.85, 24.01 ppm; 4.30 A increased from 3.82 A): 1 out of 3 assignments used, quality = 0.97: HA ILE 23 + QD1 LEU 12 OK 97 99 100 99 4.1-4.2 6292/10845=80...(11) HA ILE 23 - QG2 VAL 25 far 0 100 0 - 6.2-6.4 HA ILE 23 - QD1 LEU 51 far 0 83 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 8156 from cnoeabs.peaks (7.05, 0.85, 24.01 ppm; 3.14 A): 1 out of 19 assignments used, quality = 0.77: QE PHE 40 + QD1 LEU 51 OK 77 79 100 98 2.2-3.2 2.2/9220=43, 10402=37...(28) HZ PHE 40 - QD1 LEU 51 far 2 49 5 - 3.4-5.0 QE PHE 40 - QG2 VAL 25 far 0 99 0 - 4.2-5.4 QD PHE 10 - QG2 VAL 25 far 0 98 0 - 4.7-4.9 QE PHE 40 - QD1 LEU 12 far 0 96 0 - 5.0-6.7 QD PHE 10 - QD1 LEU 51 far 0 78 0 - 5.2-5.6 HD21 ASN 68 - QG2 VAL 25 far 0 100 0 - 5.3-5.5 HE22 GLN 72 - QD1 LEU 12 far 0 98 0 - 5.5-5.9 HZ PHE 40 - QG2 VAL 25 far 0 68 0 - 5.8-7.4 HD21 ASN 68 - QD1 LEU 12 far 0 99 0 - 6.3-6.5 HE22 GLN 72 - QG2 VAL 25 far 0 100 0 - 6.5-6.6 HZ PHE 40 - QD1 LEU 12 far 0 64 0 - 7.0-8.8 HD21 ASN 68 - QD1 LEU 51 far 0 83 0 - 7.5-7.8 QD PHE 10 - QD1 LEU 12 far 0 96 0 - 7.5-7.7 QE PHE 99 - QD1 LEU 12 far 0 98 0 - 7.5-8.0 HH2 TRP 48 - QD1 LEU 51 far 0 68 0 - 8.4-8.9 HE22 GLN 72 - QD1 LEU 51 far 0 82 0 - 8.6-8.9 HH2 TRP 48 - QG2 VAL 25 far 0 90 0 - 9.1-9.7 HH2 TRP 48 - QD1 LEU 12 far 0 86 0 - 9.1-9.4 Violated in 2 structures by 0.00 A. Peak 8157 from cnoeabs.peaks (7.08, 0.86, 23.70 ppm; 3.25 A increased from 3.06 A): 1 out of 16 assignments used, quality = 0.91: QE PHE 40 + QD1 LEU 51 OK 91 92 100 99 2.2-3.2 2.2/9220=47, 10402=38...(27) HZ PHE 40 - QD1 LEU 51 far 10 100 10 - 3.4-5.0 QE PHE 40 - QG2 VAL 25 far 0 71 0 - 4.2-5.4 QE PHE 40 - QD1 LEU 12 far 0 82 0 - 5.0-6.7 HD21 ASN 68 - QG2 VAL 25 far 0 55 0 - 5.3-5.5 HE22 GLN 72 - QD1 LEU 12 far 0 75 0 - 5.5-5.9 HZ PHE 40 - QG2 VAL 25 far 0 82 0 - 5.8-7.4 HD21 ASN 68 - QD1 LEU 12 far 0 66 0 - 6.3-6.5 HE22 GLN 72 - QG2 VAL 25 far 0 64 0 - 6.5-6.6 HZ PHE 40 - QD1 LEU 12 far 0 93 0 - 7.0-8.8 HD21 ASN 68 - QD1 LEU 51 far 0 75 0 - 7.5-7.8 QE PHE 99 - QD1 LEU 12 far 0 55 0 - 7.5-8.0 HH2 TRP 48 - QD1 LEU 51 far 0 99 0 - 8.4-8.9 HE22 GLN 72 - QD1 LEU 51 far 0 85 0 - 8.6-8.9 HH2 TRP 48 - QG2 VAL 25 far 0 80 0 - 9.1-9.7 HH2 TRP 48 - QD1 LEU 12 far 0 92 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 8161 from cnoeabs.peaks (1.73, 5.31, 52.61 ppm; 4.45 A): 1 out of 5 assignments used, quality = 0.95: HB3 LEU 36 + HA ASP 26 OK 95 95 100 100 3.3-3.7 6450/9179=66...(15) HB VAL 25 - HA ASP 26 far 0 90 0 - 5.4-5.4 HB3 PRO 35 - HA ASP 26 far 0 82 0 - 5.4-5.5 HG LEU 55 - HA ASP 26 far 0 97 0 - 8.4-9.0 HG12 ILE 23 - HA ASP 26 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 8164 from cnoeabs.peaks (1.14, 1.97, 31.64 ppm; 3.80 A): 3 out of 19 assignments used, quality = 1.00: QD1 LEU 36 + HB2 GLN 27 OK 100 100 100 100 2.5-2.9 8254/3.0=52, 9164/3.0=51...(28) QD1 LEU 36 + HB3 GLN 27 OK 99 99 100 100 2.3-2.7 8254/3.0=52, 9164/3.0=51...(28) HB2 LEU 12 + HB VAL 69 OK 41 42 100 96 2.4-2.8 11219/2.1=60, ~9814=39...(11) HG LEU 51 - HB VAL 69 far 0 52 0 - 5.1-5.4 HB2 LEU 51 - HB VAL 69 far 0 41 0 - 6.5-7.2 HG2 LYS 13 - HB VAL 69 far 0 79 0 - 7.0-8.8 HG3 ARG 66 - HB VAL 69 far 0 77 0 - 7.5-8.2 HG3 LYS 13 - HB VAL 69 far 0 79 0 - 7.5-8.8 HG3 LYS 13 - HB3 GLN 27 far 0 100 0 - 8.2-10.0 QD1 LEU 36 - HB VAL 69 far 0 79 0 - 8.4-8.7 HG2 LYS 13 - HB3 GLN 27 far 0 100 0 - 8.6-10.0 HD3 LYS 98 - HB3 PRO 100 far 0 40 0 - 8.6-10.8 HG3 ARG 66 - HB2 GLN 27 far 0 99 0 - 8.8-11.6 HG3 LYS 13 - HB2 GLN 27 far 0 100 0 - 9.2-10.9 HD3 LYS 52 - HB VAL 69 far 0 74 0 - 9.3-10.9 HG2 LYS 13 - HB2 GLN 27 far 0 100 0 - 9.5-10.9 HB2 LYS 98 - HB3 PRO 100 far 0 59 0 - 9.7-10.1 HG3 ARG 66 - HB3 GLN 27 far 0 98 0 - 9.8-13.0 HB VAL 14 - HB VAL 69 far 0 68 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8165 from cnoeabs.peaks (0.73, 2.07, 33.17 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 29 + HG2 GLN 27 OK 100 100 100 100 2.3-2.9 8194=97, 8195/1.8=85...(11) QD1 ILE 11 - HG2 GLN 27 far 0 59 0 - 5.0-6.6 QG1 VAL 29 - HG2 GLN 27 far 0 85 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 8166 from cnoeabs.peaks (0.73, 2.18, 33.17 ppm; 3.51 A): 1 out of 8 assignments used, quality = 1.00: QG2 VAL 29 + HG3 GLN 27 OK 100 100 100 100 2.2-3.0 8195=100, 8194/1.8=74...(11) QD1 ILE 11 - HG3 GLN 27 far 0 59 0 - 4.7-6.1 QG1 VAL 29 - HG3 GLN 27 far 0 85 0 - 5.0-5.5 QG2 VAL 21 - HB VAL 102 far 0 73 0 - 7.5-8.0 QD1 ILE 23 - HB VAL 102 far 0 80 0 - 8.7-9.2 QD1 ILE 11 - HB VAL 102 far 0 58 0 - 8.8-9.5 QD2 LEU 109 - HB VAL 102 far 0 80 0 - 9.3-17.7 QD2 LEU 109 - HG3 GLN 27 far 0 82 0 - 9.3-21.4 Violated in 0 structures by 0.00 A. Peak 8167 from cnoeabs.peaks (7.05, 1.98, 31.64 ppm; 4.30 A): 3 out of 13 assignments used, quality = 1.00: QD PHE 10 + HB2 GLN 27 OK 100 100 100 100 3.0-3.5 9015/3.0=71...(20) QD PHE 10 + HB3 GLN 27 OK 100 100 100 100 3.8-4.8 9015/3.0=71, 9030/4.6=38...(19) HD21 ASN 68 + HB VAL 69 OK 77 78 100 99 4.6-4.7 8447/2.1=70, 9772/2.1=63...(8) QD PHE 10 - HB VAL 69 far 0 79 0 - 5.8-6.2 HE22 GLN 72 - HB VAL 69 far 0 74 0 - 5.9-6.0 QE PHE 40 - HB VAL 69 far 0 69 0 - 7.1-8.5 HE22 GLN 72 - HB3 PRO 100 far 0 57 0 - 8.0-8.4 QE PHE 99 - HB3 PRO 100 far 0 62 0 - 8.9-9.3 H LYS 58 - HB2 GLN 27 far 0 65 0 - 9.4-9.8 HD21 ASN 68 - HB2 GLN 27 far 0 99 0 - 9.5-10.2 QE PHE 40 - HB3 GLN 27 far 0 93 0 - 9.6-10.4 HD21 ASN 68 - HB3 PRO 100 far 0 60 0 - 9.7-10.3 H LYS 58 - HB3 GLN 27 far 0 65 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8170 from cnoeabs.peaks (3.65, 0.68, 12.63 ppm; 3.54 A): 2 out of 7 assignments used, quality = 1.00: HB2 SER 9 + QD1 ILE 28 OK 100 100 100 100 2.7-3.2 8040=98, 9049/6363=35...(23) HB3 SER 9 + QD1 ILE 28 OK 99 100 100 99 3.0-4.0 1.8/8040=76, 4.3/8043=30...(20) HB3 PHE 79 - QD1 ILE 90 far 0 52 0 - 5.9-6.6 HB3 SER 34 - QD1 ILE 28 far 0 99 0 - 7.2-7.5 HA2 GLY 97 - QD1 ILE 90 far 0 53 0 - 7.5-8.5 HA2 GLY 30 - QD1 ILE 28 far 0 73 0 - 7.9-8.0 HD3 PRO 100 - QD1 ILE 90 far 0 55 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 8171 from cnoeabs.peaks (3.65, 1.62, 37.39 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 9 + HB ILE 28 OK 100 100 100 100 1.8-1.9 8040/785=56, 3.0/8704=53...(22) HB3 SER 9 + HB ILE 28 OK 100 100 100 100 2.3-3.3 3.0/8704=53, 8036=50...(20) HB3 SER 34 - HB ILE 28 far 0 100 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 8172 from cnoeabs.peaks (2.37, 4.25, 61.29 ppm; 5.54 A increased from 5.21 A): 1 out of 3 assignments used, quality = 0.71: HB2 GLU 101 + HA VAL 102 OK 71 71 100 100 5.3-5.3 10205/3.2=79, ~2856=72...(12) HB2 PRO 100 - HA VAL 102 far 0 81 0 - 8.3-8.5 HG2 GLU 75 - HA VAL 102 far 0 81 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 8173 from cnoeabs.peaks (4.47, 0.68, 12.63 ppm; 3.58 A): 0 out of 7 assignments used, quality = 0.00: HA2 GLY 32 - QD1 ILE 28 far 0 96 0 - 5.0-5.9 HA SER 9 - QD1 ILE 28 far 0 100 0 - 5.2-5.3 HA GLN 89 - QD1 ILE 90 far 0 35 0 - 5.6-5.9 HA LYS 88 - QD1 ILE 90 far 0 41 0 - 5.7-7.2 HA VAL 21 - QD1 ILE 90 far 0 53 0 - 9.3-10.5 HA PRO 100 - QD1 ILE 28 far 0 71 0 - 9.6-10.2 HA PRO 100 - QD1 ILE 90 far 0 39 0 - 9.8-11.0 Violated in 20 structures by 0.90 A. Peak 8174 from cnoeabs.peaks (3.65, 0.78, 17.00 ppm; 3.76 A): 2 out of 7 assignments used, quality = 1.00: HB3 SER 9 + QG2 ILE 28 OK 100 100 100 100 3.2-3.8 8037=50, 1.8/8037=41...(22) HB2 SER 9 + QG2 ILE 28 OK 100 100 100 100 2.1-2.9 8040/3.2=61, 8037=50...(23) HA LEU 83 - QG2 ILE 90 far 0 68 0 - 4.8-5.6 HB3 SER 34 - QG2 ILE 28 far 0 100 0 - 6.0-6.2 HB3 PHE 79 - QG2 ILE 23 far 0 85 0 - 7.5-7.8 HB3 PHE 79 - QG2 ILE 90 far 0 96 0 - 7.5-8.9 HA2 GLY 97 - QG2 ILE 90 far 0 97 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8179 from cnoeabs.peaks (5.27, 0.78, 17.00 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.94: HA THR 33 + QG2 ILE 28 OK 94 94 100 100 3.2-3.4 8181/6369=74...(18) HA PHE 104 - QG2 ILE 23 far 0 79 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 8180 from cnoeabs.peaks (5.27, 0.68, 12.63 ppm; 4.45 A increased from 4.19 A): 1 out of 2 assignments used, quality = 0.94: HA THR 33 + QD1 ILE 28 OK 94 94 100 100 4.1-4.2 11005=94, 3.2/9104=86...(13) HA PHE 104 - QD1 ILE 90 far 0 54 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 8182 from cnoeabs.peaks (8.99, 0.68, 12.63 ppm; 3.96 A): 0 out of 3 assignments used, quality = 0.00: H ILE 11 - QD1 ILE 28 far 0 93 0 - 5.2-5.3 H SER 34 - QD1 ILE 28 far 0 85 0 - 5.4-5.6 H ASP 26 - QD1 ILE 28 far 0 98 0 - 6.6-6.9 Violated in 20 structures by 0.72 A. Peak 8183 from cnoeabs.peaks (9.01, 0.72, 20.00 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: H SER 34 + QG2 VAL 29 OK 100 100 100 100 2.9-3.4 8215=72, 6430/10350=67...(12) H ASP 26 - QG2 VAL 29 far 0 98 0 - 8.6-8.7 Violated in 0 structures by 0.00 A. Peak 8184 from cnoeabs.peaks (8.03, 3.61, 46.79 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.86: H GLY 32 + HA2 GLY 30 OK 86 87 100 100 4.1-4.2 8185/1.8=95...(3) Violated in 0 structures by 0.00 A. Peak 8185 from cnoeabs.peaks (8.03, 3.92, 46.79 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.86: H GLY 32 + HA3 GLY 30 OK 86 87 100 99 3.8-4.0 8209/1.8=73...(6) Violated in 0 structures by 0.00 A. Peak 8186 from cnoeabs.peaks (5.25, 0.72, 20.00 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.99: HA THR 33 + QG2 VAL 29 OK 99 100 100 99 3.3-3.6 8224=71, 8181/803=62...(8) Violated in 0 structures by 0.00 A. Peak 8187 from cnoeabs.peaks (3.74, 0.72, 20.00 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: HB2 SER 34 + QG2 VAL 29 OK 100 100 100 100 2.6-2.8 8232=100, 1.8/10350=78...(12) HD3 PRO 35 - QG2 VAL 29 far 0 98 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 8188 from cnoeabs.peaks (3.66, 0.72, 20.00 ppm; 3.08 A): 1 out of 4 assignments used, quality = 1.00: HB3 SER 34 + QG2 VAL 29 OK 100 100 100 100 2.0-2.1 10350=100, 1.8/8232=71...(16) HD2 PRO 35 - QG2 VAL 29 far 0 63 0 - 5.1-5.3 HB2 SER 9 - QG2 VAL 29 far 0 98 0 - 5.9-6.5 HB3 SER 9 - QG2 VAL 29 far 0 99 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 8189 from cnoeabs.peaks (3.92, 0.75, 20.64 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: HA3 GLY 30 + QG1 VAL 29 OK 100 100 100 100 3.8-3.8 8202=99, 1.8/8199=81...(8) HB THR 33 - QG1 VAL 29 far 0 85 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 8190 from cnoeabs.peaks (3.75, 0.75, 20.64 ppm; 4.27 A increased from 3.80 A): 1 out of 2 assignments used, quality = 0.95: HB2 SER 34 + QG1 VAL 29 OK 95 100 95 100 4.0-5.1 8232/2.1=96, ~10350=69...(9) HD3 PRO 35 - QG1 VAL 29 far 0 100 0 - 7.4-7.6 Violated in 1 structures by 0.04 A. Peak 8191 from cnoeabs.peaks (3.65, 0.75, 20.64 ppm; 3.56 A): 0 out of 3 assignments used, quality = 0.00: HB3 SER 34 - QG1 VAL 29 far 5 100 5 - 4.0-4.5 HB2 SER 9 - QG1 VAL 29 far 0 100 0 - 6.9-7.9 HB3 SER 9 - QG1 VAL 29 far 0 100 0 - 8.1-8.5 Violated in 20 structures by 0.81 A. Peak 8192 from cnoeabs.peaks (2.23, 4.24, 60.60 ppm; 4.95 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLN 96 - HA VAL 102 far 0 44 0 - 8.0-8.5 HG3 GLN 96 - HA VAL 102 far 0 51 0 - 9.4-10.1 Violated in 20 structures by 2.91 A. Peak 8193 from cnoeabs.peaks (1.98, 0.72, 20.00 ppm; 3.30 A): 0 out of 4 assignments used, quality = 0.00: HB3 GLN 27 - QG2 VAL 29 far 0 99 0 - 4.4-4.7 HB2 GLN 27 - QG2 VAL 29 far 0 99 0 - 4.5-4.8 HB2 LYS 31 - QG2 VAL 29 far 0 100 0 - 5.0-5.5 HB VAL 6 - QG2 VAL 29 far 0 99 0 - 6.1-8.3 Violated in 20 structures by 0.64 A. Peak 8194 from cnoeabs.peaks (2.06, 0.72, 20.00 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.97: HG2 GLN 27 + QG2 VAL 29 OK 97 97 100 100 2.3-2.9 1.8/8195=75, 8165=73...(11) HG2 PRO 35 - QG2 VAL 29 far 0 100 0 - 7.4-7.6 HG3 GLU 110 - QG2 VAL 29 far 0 68 0 - 9.6-23.3 Violated in 0 structures by 0.00 A. Peak 8195 from cnoeabs.peaks (2.19, 0.72, 20.00 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: HG3 GLN 27 + QG2 VAL 29 OK 100 100 100 100 2.2-3.0 8166=84, 1.8/8194=67...(11) HB2 PRO 35 - QG2 VAL 29 far 0 100 0 - 7.7-7.9 HG2 GLU 110 - QG2 VAL 29 far 0 92 0 - 8.9-24.7 Violated in 0 structures by 0.00 A. Peak 8196 from cnoeabs.peaks (1.08, 0.72, 20.00 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 8 + QG2 VAL 29 OK 100 100 100 100 1.9-2.0 8030=100, 8032/8194=37...(13) HG12 ILE 11 - QG2 VAL 29 far 0 77 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 8197 from cnoeabs.peaks (1.99, 0.75, 20.64 ppm; 3.86 A): 1 out of 4 assignments used, quality = 0.86: HB2 LYS 31 + QG1 VAL 29 OK 86 98 100 88 2.7-3.4 11156=60, 6404/8210=45 HB VAL 6 - QG1 VAL 29 far 0 100 0 - 5.3-9.1 HB3 GLN 27 - QG1 VAL 29 far 0 97 0 - 7.0-7.4 HB2 GLN 27 - QG1 VAL 29 far 0 95 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 8198 from cnoeabs.peaks (2.19, 0.75, 20.64 ppm; 4.15 A): 0 out of 3 assignments used, quality = 0.00: HG3 GLN 27 - QG1 VAL 29 far 0 100 0 - 5.0-5.5 HG2 GLU 110 - QG1 VAL 29 far 0 92 0 - 8.7-25.8 HB2 PRO 35 - QG1 VAL 29 far 0 100 0 - 9.6-9.8 Violated in 20 structures by 1.08 A. Peak 8199 from cnoeabs.peaks (0.74, 3.61, 46.79 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.94: QG1 VAL 29 + HA2 GLY 30 OK 94 99 100 96 3.1-3.1 8202/1.8=77, 3.2/8205=44...(5) QG2 VAL 29 - HA2 GLY 30 far 0 95 0 - 5.4-5.4 QD1 ILE 11 - HA2 GLY 30 far 0 87 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 8202 from cnoeabs.peaks (0.74, 3.92, 46.79 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.98: QG1 VAL 29 + HA3 GLY 30 OK 98 99 100 99 3.8-3.8 8189=79, 8199/1.8=72...(8) QG2 VAL 29 - HA3 GLY 30 far 0 95 0 - 5.6-5.6 QD1 ILE 11 - HA3 GLY 30 far 0 87 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 8203 from cnoeabs.peaks (4.33, 3.92, 46.79 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.81: HA LYS 31 + HA3 GLY 30 OK 81 91 100 89 4.8-4.8 3.6/8185=73, 9095/8189=59 Violated in 0 structures by 0.00 A. Peak 8204 from cnoeabs.peaks (4.25, 3.92, 46.79 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.98: HA VAL 29 + HA3 GLY 30 OK 98 99 100 100 4.3-4.3 810/8202=83, 8205/1.8=81...(6) HA ILE 28 - HA3 GLY 30 far 0 100 0 - 7.2-7.2 Violated in 0 structures by 0.00 A. Peak 8205 from cnoeabs.peaks (4.26, 3.61, 46.79 ppm; 4.75 A increased from 4.47 A): 1 out of 2 assignments used, quality = 0.89: HA VAL 29 + HA2 GLY 30 OK 89 90 100 99 4.5-4.5 3.2/8199=76, 8204/1.8=73...(6) HA ILE 28 - HA2 GLY 30 far 0 100 0 - 8.0-8.1 Violated in 0 structures by 0.00 A. Peak 8211 from cnoeabs.peaks (1.01, 3.83, 44.47 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 33 + HA3 GLY 32 OK 97 99 100 97 4.0-4.3 9097/1.8=74, 940/6418=65...(5) HG12 ILE 11 - HA3 GLY 32 far 0 59 0 - 8.8-9.3 Violated in 1 structures by 0.00 A. Peak 8213 from cnoeabs.peaks (0.76, 3.95, 71.45 ppm; 3.92 A): 1 out of 6 assignments used, quality = 0.98: QD1 ILE 11 + HB THR 33 OK 98 100 100 98 2.8-3.1 8214/2.1=46, ~9106=46...(12) QG2 ILE 28 - HB THR 33 far 0 94 0 - 4.8-5.0 QG2 VAL 29 - HB THR 33 far 0 59 0 - 5.0-5.5 QD2 LEU 109 - HB THR 33 far 0 99 0 - 6.0-19.1 QG1 VAL 29 - HB THR 33 far 0 98 0 - 6.6-6.8 QD2 LEU 36 - HB THR 33 far 0 84 0 - 7.7-7.9 Violated in 0 structures by 0.00 A. Peak 8214 from cnoeabs.peaks (0.77, 1.02, 21.57 ppm; 2.66 A): 2 out of 6 assignments used, quality = 0.99: QG2 ILE 28 + QG2 THR 33 OK 94 98 100 96 2.3-2.5 3.2/9104=35...(20) QD1 ILE 11 + QG2 THR 33 OK 91 100 100 91 1.7-1.8 2.1/9106=35, 8213/2.1=30...(15) QD2 LEU 109 - QG2 THR 33 far 0 96 0 - 5.0-17.0 QG1 VAL 29 - QG2 THR 33 far 0 95 0 - 5.5-5.6 QD2 LEU 36 - QG2 THR 33 far 0 91 0 - 6.6-6.7 QG2 VAL 69 - QG2 THR 33 far 0 99 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 8217 from cnoeabs.peaks (2.33, 3.95, 71.45 ppm; 3.34 A increased from 3.14 A): 1 out of 2 assignments used, quality = 0.97: HB3 ASP 26 + HB THR 33 OK 97 100 100 97 3.1-3.3 8218/2.1=62, 8978=60...(8) HB2 ASP 26 - HB THR 33 far 0 99 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 8218 from cnoeabs.peaks (2.32, 1.02, 21.57 ppm; 3.38 A increased from 3.18 A): 1 out of 3 assignments used, quality = 0.95: HB3 ASP 26 + QG2 THR 33 OK 95 99 100 95 3.3-3.4 8217/2.1=64...(10) HB2 ASP 26 - QG2 THR 33 far 0 100 0 - 4.1-4.3 HB2 GLU 101 - QG2 THR 33 far 0 63 0 - 9.8-10.2 Violated in 1 structures by 0.00 A. Peak 8221 from cnoeabs.peaks (4.25, 1.02, 21.57 ppm; 2.95 A): 1 out of 4 assignments used, quality = 1.00: HA ILE 28 + QG2 THR 33 OK 100 100 100 100 1.9-1.9 9056=75, 8223/941=44...(16) HA VAL 29 - QG2 THR 33 far 0 93 0 - 5.3-5.4 HA LEU 109 - QG2 THR 33 far 0 100 0 - 6.9-18.5 HA VAL 102 - QG2 THR 33 far 0 98 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 8222 from cnoeabs.peaks (4.47, 1.02, 21.57 ppm; 4.49 A increased from 3.99 A): 1 out of 2 assignments used, quality = 0.93: HA2 GLY 32 + QG2 THR 33 OK 93 93 100 100 4.1-4.3 9097=92, 1.8/8211=82...(5) HA SER 9 - QG2 THR 33 far 0 100 0 - 6.8-6.8 Violated in 0 structures by 0.00 A. Peak 8223 from cnoeabs.peaks (4.25, 5.25, 59.81 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 28 + HA THR 33 OK 100 100 100 100 1.9-2.0 10709=97, 8221/941=60...(15) HA VAL 29 - HA THR 33 far 0 93 0 - 4.5-4.7 HA LEU 109 - HA THR 33 far 0 100 0 - 9.9-23.6 Violated in 0 structures by 0.00 A. Peak 8224 from cnoeabs.peaks (0.73, 5.25, 59.81 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 29 + HA THR 33 OK 100 100 100 100 3.3-3.6 8186=89, 803/8181=58...(9) QD1 ILE 11 + HA THR 33 OK 41 65 80 79 3.8-4.2 ~9106=26, 11213=24...(9) QG1 VAL 29 - HA THR 33 far 0 90 0 - 4.7-4.8 QD2 LEU 109 - HA THR 33 far 0 87 0 - 7.9-21.3 Violated in 0 structures by 0.00 A. Peak 8225 from cnoeabs.peaks (2.32, 5.25, 59.81 ppm; 5.36 A increased from 4.77 A): 1 out of 2 assignments used, quality = 0.99: HB3 ASP 26 + HA THR 33 OK 99 99 100 100 5.0-5.2 8218/941=98, 8217/936=94...(6) HB2 ASP 26 - HA THR 33 far 0 100 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 8226 from cnoeabs.peaks (8.18, 5.25, 59.81 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.93: H VAL 29 + HA THR 33 OK 93 93 100 100 1.9-2.2 8181=93, 11214/941=50...(14) H PHE 10 - HA THR 33 far 0 100 0 - 7.6-7.7 Violated in 0 structures by 0.00 A. Peak 8227 from cnoeabs.peaks (9.18, 1.02, 21.57 ppm; 4.88 A increased from 4.11 A): 1 out of 2 assignments used, quality = 1.00: H GLN 27 + QG2 THR 33 OK 100 100 100 100 4.5-4.8 6323/8218=86...(9) H LEU 12 - QG2 THR 33 far 0 88 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 8229 from cnoeabs.peaks (9.18, 3.74, 64.80 ppm; 4.51 A): 0 out of 1 assignment used, quality = 0.00: H GLN 27 - HB2 SER 34 far 5 100 5 - 3.8-5.7 Violated in 19 structures by 1.08 A. Peak 8230 from cnoeabs.peaks (1.97, 3.74, 64.80 ppm; 3.82 A): 0 out of 3 assignments used, quality = 0.00: HB2 GLN 27 - HB2 SER 34 far 5 99 5 - 4.2-6.5 HB3 GLN 27 - HB2 SER 34 far 5 99 5 - 2.9-5.8 HB2 LYS 31 - HB2 SER 34 far 0 98 0 - 6.0-8.3 Violated in 19 structures by 1.15 A. Peak 8231 from cnoeabs.peaks (1.82, 3.74, 64.80 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 29 + HB2 SER 34 OK 100 100 100 100 3.5-4.6 2.1/8232=100, 9063=96...(10) HB3 GLU 110 - HB2 SER 34 far 0 99 0 - 6.5-25.5 Violated in 0 structures by 0.00 A. Peak 8232 from cnoeabs.peaks (0.73, 3.74, 64.80 ppm; 2.98 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 29 + HB2 SER 34 OK 99 100 100 99 2.6-2.8 8187=77, 10350/1.8=67...(13) QG1 VAL 29 - HB2 SER 34 far 0 91 0 - 4.0-5.1 QD1 ILE 11 - HB2 SER 34 far 0 68 0 - 6.5-7.4 QD2 LEU 109 - HB2 SER 34 far 0 88 0 - 8.0-21.0 Violated in 0 structures by 0.00 A. Peak 8235 from cnoeabs.peaks (1.95, 3.65, 64.80 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.97: HB3 GLN 27 + HB3 SER 34 OK 89 90 100 99 3.5-4.6 3.0/8557=64, 3.0/9125=54...(12) HB2 GLN 27 + HB3 SER 34 OK 74 93 80 99 4.6-5.7 3.0/8557=64, 3.0/9125=54...(12) HB2 LYS 31 - HB3 SER 34 far 0 88 0 - 6.5-7.7 Violated in 1 structures by 0.01 A. Peak 8237 from cnoeabs.peaks (7.26, 0.79, 25.52 ppm; 3.20 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 10 + QD2 LEU 36 OK 98 100 100 99 1.9-1.9 2.2/8238=58...(23) HH2 TRP 60 + QD2 LEU 36 OK 98 100 100 98 3.0-3.2 2.5/9146=45, 9587/2.1=37...(20) HZ3 TRP 60 - QD2 LEU 36 far 0 65 0 - 4.5-4.9 Violated in 0 structures by 0.00 A. Peak 8238 from cnoeabs.peaks (7.04, 0.79, 25.52 ppm; 3.41 A): 1 out of 4 assignments used, quality = 0.98: QD PHE 10 + QD2 LEU 36 OK 98 100 100 98 1.8-1.8 8241/2.1=46, 2.2/8237=35...(18) H LYS 58 - QD2 LEU 36 far 0 81 0 - 5.7-5.9 QE PHE 40 - QD2 LEU 36 far 0 82 0 - 6.5-7.0 HD21 ASN 68 - QD2 LEU 36 far 0 96 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 8239 from cnoeabs.peaks (7.45, 1.15, 24.55 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.98: HZ2 TRP 60 + QD1 LEU 36 OK 98 99 100 99 1.8-1.9 9606=56, 9146/2.1=42...(18) H VAL 25 - QD1 LEU 36 far 0 100 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 8240 from cnoeabs.peaks (7.25, 1.15, 24.55 ppm; 3.03 A increased from 2.85 A): 2 out of 3 assignments used, quality = 1.00: HH2 TRP 60 + QD1 LEU 36 OK 98 100 100 98 2.7-3.0 2.5/8239=56, 9587=33...(20) QE PHE 10 + QD1 LEU 36 OK 93 100 100 93 3.1-3.3 2.2/8241=37, 8237/2.1=29...(18) HZ3 TRP 60 - QD1 LEU 36 far 0 70 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 8241 from cnoeabs.peaks (7.02, 1.15, 24.55 ppm; 4.11 A increased from 3.46 A): 1 out of 2 assignments used, quality = 0.93: QD PHE 10 + QD1 LEU 36 OK 93 93 100 100 3.9-4.1 8238/2.1=80, 2.2/8240=45...(17) H LYS 58 - QD1 LEU 36 far 0 98 0 - 5.5-5.9 Violated in 0 structures by 0.00 A. Peak 8242 from cnoeabs.peaks (3.01, 1.15, 24.55 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: HE3 LYS 58 + QD1 LEU 36 OK 100 100 100 100 1.9-3.2 9556=91, 1.8/8243=63...(23) Violated in 0 structures by 0.00 A. Peak 8243 from cnoeabs.peaks (2.88, 1.15, 24.55 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.98: HE2 LYS 58 + QD1 LEU 36 OK 98 98 100 100 1.9-3.3 1.8/8242=81...(21) HD3 ARG 66 - QD1 LEU 36 far 0 79 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 8244 from cnoeabs.peaks (0.98, 1.46, 44.48 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 25 + HB2 LEU 36 OK 98 99 100 99 3.1-3.5 8945=70, 8944/3.0=57...(14) QG2 THR 37 + HB2 LEU 36 OK 97 98 100 99 3.8-3.9 8261=74, 8262/3.0=61...(10) QG2 THR 33 - HB2 LEU 36 far 0 71 0 - 6.7-6.9 HG13 ILE 28 - HB2 LEU 36 far 0 77 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 8245 from cnoeabs.peaks (0.97, 1.75, 44.48 ppm; 3.53 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 25 + HB3 LEU 36 OK 98 100 100 98 2.2-2.6 8945/1.8=67, 8944/3.0=52...(15) QG2 THR 37 + HB3 LEU 36 OK 85 87 100 98 2.3-2.4 8261/1.8=50, 8262/3.0=50...(12) HG13 ILE 28 - HB3 LEU 36 far 0 93 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 8246 from cnoeabs.peaks (0.99, 1.57, 27.00 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: QG2 THR 37 + HG LEU 36 OK 100 100 100 100 2.4-2.6 8262=100, 8260/2.1=65...(16) QG1 VAL 25 + HG LEU 36 OK 91 94 100 97 3.5-3.7 8944=58, 8945/3.0=52...(15) HB2 LEU 15 - HG LEU 109 far 0 32 0 - 5.3-17.7 QG1 VAL 25 - HG LEU 12 far 0 41 0 - 6.1-6.2 QG2 THR 33 - HG LEU 109 far 0 45 0 - 7.4-21.7 QG2 THR 37 - HG LEU 12 far 0 48 0 - 7.8-8.2 HB2 LEU 15 - HG LEU 12 far 0 25 0 - 8.2-8.6 QG2 THR 74 - HG LEU 12 far 0 30 0 - 9.2-9.4 QG2 THR 33 - HG LEU 36 far 0 87 0 - 9.2-9.4 QG2 THR 33 - HG LEU 12 far 0 36 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 8247 from cnoeabs.peaks (0.98, 0.79, 25.52 ppm; 2.70 A): 2 out of 5 assignments used, quality = 0.99: QG1 VAL 25 + QD2 LEU 36 OK 91 100 100 91 2.1-2.2 8944/2.1=36...(19) QG2 THR 37 + QD2 LEU 36 OK 89 93 100 96 3.1-3.2 8262/2.1=39...(18) QG2 THR 33 - QD2 LEU 36 far 0 59 0 - 6.6-6.7 HG13 ILE 28 - QD2 LEU 36 far 0 87 0 - 6.8-7.1 HG3 LYS 52 - QD2 LEU 36 far 0 61 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 8248 from cnoeabs.peaks (0.32, 0.79, 25.52 ppm; 2.88 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 55 + QD2 LEU 36 OK 96 99 100 97 1.7-1.7 8250/2.1=45, 1698=44...(18) QG2 ILE 61 - QD2 LEU 36 far 14 96 15 - 3.1-4.2 HB2 LYS 58 - QD2 LEU 36 far 0 81 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 8249 from cnoeabs.peaks (0.09, 0.79, 25.52 ppm; 2.96 A): 1 out of 1 assignment used, quality = 0.97: QD1 ILE 61 + QD2 LEU 36 OK 97 98 100 99 2.4-2.7 8374=81, 8251/2.1=60...(20) Violated in 0 structures by 0.00 A. Peak 8250 from cnoeabs.peaks (0.33, 1.15, 24.55 ppm; 3.49 A increased from 3.29 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 55 + QD1 LEU 36 OK 100 100 100 100 3.3-3.4 8248/2.1=81, 9508=51...(15) HB2 LYS 58 - QD1 LEU 36 far 0 92 0 - 4.4-4.9 QG2 ILE 61 - QD1 LEU 36 far 0 100 0 - 4.5-5.5 Violated in 0 structures by 0.00 A. Peak 8251 from cnoeabs.peaks (0.09, 1.15, 24.55 ppm; 3.01 A): 1 out of 1 assignment used, quality = 0.99: QD1 ILE 61 + QD1 LEU 36 OK 99 99 100 99 2.6-2.9 8376=68, 8249/2.1=63...(19) Violated in 0 structures by 0.00 A. Peak 8253 from cnoeabs.peaks (1.97, 1.15, 24.55 ppm; 3.18 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLN 27 + QD1 LEU 36 OK 99 100 100 99 2.5-2.9 3.0/8254=35, 3.0/9164=35...(27) HB3 GLN 27 + QD1 LEU 36 OK 98 99 100 99 2.3-2.7 3.0/8254=35, 3.0/9164=35...(28) HB2 GLU 54 - QD1 LEU 36 far 0 99 0 - 4.8-5.3 HB VAL 69 - QD1 LEU 36 far 0 100 0 - 8.4-8.7 HB VAL 6 - QD1 LEU 36 far 0 84 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 8254 from cnoeabs.peaks (2.04, 1.15, 24.55 ppm; 4.14 A increased from 3.68 A): 1 out of 2 assignments used, quality = 0.73: HG2 GLN 27 + QD1 LEU 36 OK 73 73 100 100 4.0-4.2 1.8/9164=75...(21) HG2 PRO 35 - QD1 LEU 36 far 0 88 0 - 7.1-7.4 Violated in 1 structures by 0.00 A. Peak 8255 from cnoeabs.peaks (1.97, 1.46, 44.48 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLN 27 + HB2 LEU 36 OK 100 100 100 100 2.3-3.3 4.0/8997=49...(23) HB3 GLN 27 + HB2 LEU 36 OK 100 100 100 100 1.8-2.0 4.0/8997=49...(24) HB2 GLU 54 - HB2 LEU 36 far 0 96 0 - 6.2-6.9 HB VAL 69 - HB2 LEU 36 far 0 100 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 8257 from cnoeabs.peaks (0.82, 1.00, 19.20 ppm; 2.79 A): 2 out of 11 assignments used, quality = 0.88: QD2 LEU 36 + QG2 THR 37 OK 70 73 100 95 3.1-3.2 2.1/8262=46, 2.1/8260=36...(16) QD1 LEU 51 + QG2 THR 37 OK 62 68 100 92 2.2-2.5 8071/8258=35...(19) QG2 VAL 25 - QG2 THR 37 far 0 85 0 - 3.7-4.1 QD1 LEU 12 - QG2 THR 37 far 0 87 0 - 5.7-6.0 HG2 LYS 52 - QG2 THR 37 far 0 79 0 - 6.9-7.5 QG2 ILE 23 - QG2 THR 37 far 0 93 0 - 7.7-8.1 QG2 ILE 11 - QG2 THR 37 far 0 79 0 - 8.1-8.3 QD1 ILE 67 - QG2 THR 37 far 0 91 0 - 8.6-8.8 QG2 ILE 28 - QG2 THR 37 far 0 57 0 - 9.7-9.9 QG2 VAL 102 - QG2 THR 37 far 0 95 0 - 9.7-10.1 QG2 VAL 6 - QG2 THR 37 far 0 96 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 8258 from cnoeabs.peaks (0.33, 1.00, 19.20 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 55 + QG2 THR 37 OK 96 100 100 96 2.0-2.2 8250/8260=32...(17) QG2 ILE 61 - QG2 THR 37 far 0 100 0 - 5.7-6.1 HB2 LYS 58 - QG2 THR 37 far 0 93 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 8259 from cnoeabs.peaks (0.45, 1.00, 19.20 ppm; 4.10 A increased from 3.86 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 55 + QG2 THR 37 OK 92 93 100 99 3.7-3.9 2.1/8258=92, 3.9/9184=43...(9) QD2 LEU 51 + QG2 THR 37 OK 73 82 95 94 4.4-4.7 2.1/8257=45...(9) QD1 LEU 70 - QG2 THR 37 far 0 81 0 - 6.4-6.6 HB2 LYS 52 - QG2 THR 37 far 0 88 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 8260 from cnoeabs.peaks (1.14, 1.00, 19.20 ppm; 3.79 A increased from 3.19 A): 1 out of 7 assignments used, quality = 0.99: QD1 LEU 36 + QG2 THR 37 OK 99 99 100 100 3.6-3.8 2.1/8262=79...(14) HB2 LEU 51 - QG2 THR 37 far 7 65 10 - 4.1-5.6 HG LEU 51 - QG2 THR 37 far 0 79 0 - 4.5-5.0 HG3 LYS 13 - QG2 THR 37 far 0 99 0 - 6.5-8.8 HG2 LYS 13 - QG2 THR 37 far 0 99 0 - 7.0-8.7 HG3 ARG 66 - QG2 THR 37 far 0 99 0 - 7.5-9.0 HD3 LYS 52 - QG2 THR 37 far 0 94 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 8261 from cnoeabs.peaks (1.46, 1.00, 19.20 ppm; 4.06 A increased from 3.61 A): 1 out of 10 assignments used, quality = 1.00: HB2 LEU 36 + QG2 THR 37 OK 100 100 100 100 3.8-3.9 3.0/8262=72...(10) HB3 LEU 51 - QG2 THR 37 far 9 88 10 - 4.4-5.7 QB ALA 57 - QG2 THR 37 far 0 92 0 - 5.3-5.6 HG3 LYS 58 - QG2 THR 37 far 0 100 0 - 6.1-6.6 HG LEU 70 - QG2 THR 37 far 0 70 0 - 6.6-7.0 HD3 LYS 13 - QG2 THR 37 far 0 95 0 - 7.3-9.2 QB ALA 47 - QG2 THR 37 far 0 70 0 - 7.4-7.8 HG13 ILE 11 - QG2 THR 37 far 0 59 0 - 7.6-9.6 HD2 LYS 13 - QG2 THR 37 far 0 95 0 - 8.0-9.8 QB ALA 45 - QG2 THR 37 far 0 100 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 8262 from cnoeabs.peaks (1.57, 1.00, 19.20 ppm; 3.34 A): 1 out of 7 assignments used, quality = 0.98: HG LEU 36 + QG2 THR 37 OK 98 100 100 98 2.4-2.6 2.1/8260=54, 2.1/8257=41...(16) HB2 LEU 55 - QG2 THR 37 far 0 73 0 - 5.0-5.3 HB3 LYS 58 - QG2 THR 37 far 0 93 0 - 6.3-7.0 HB2 ARG 66 - QG2 THR 37 far 0 95 0 - 6.4-6.6 HB3 LYS 13 - QG2 THR 37 far 0 81 0 - 7.2-9.1 HB2 LEU 70 - QG2 THR 37 far 0 70 0 - 8.8-9.2 QB ALA 62 - QG2 THR 37 far 0 100 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 8263 from cnoeabs.peaks (1.72, 1.00, 19.20 ppm; 2.96 A): 3 out of 6 assignments used, quality = 0.98: HB VAL 25 + QG2 THR 37 OK 83 99 100 84 2.4-3.0 669=37, 6306/8266=31...(14) HB3 LEU 36 + QG2 THR 37 OK 74 79 100 93 2.3-2.4 3.0/8262=41, 1.8/8261=38...(12) HG LEU 55 + QG2 THR 37 OK 65 84 95 82 3.3-3.6 2.1/8258=58, 2.1/8259=20...(9) HG12 ILE 23 - QG2 THR 37 far 0 100 0 - 6.2-6.7 HB3 PRO 35 - QG2 THR 37 far 0 59 0 - 6.4-6.4 HB3 ARG 66 - QG2 THR 37 far 0 100 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 8264 from cnoeabs.peaks (2.34, 1.00, 19.20 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.99: HG2 GLU 54 + QG2 THR 37 OK 99 100 100 100 2.5-3.0 8345=70, 1.8/8343=66...(12) HB2 ASP 26 - QG2 THR 37 far 0 91 0 - 6.8-7.2 HB3 ASP 26 - QG2 THR 37 far 0 96 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 8265 from cnoeabs.peaks (7.07, 1.00, 19.20 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.99: QE PHE 40 + QG2 THR 37 OK 97 100 100 98 2.8-3.4 10400=51, 10395/2.1=40...(20) HZ PHE 40 + QG2 THR 37 OK 54 95 60 96 2.7-4.1 2.2/10400=44...(15) QD PHE 10 - QG2 THR 37 far 0 77 0 - 4.9-5.1 HD21 ASN 68 - QG2 THR 37 far 0 94 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 8266 from cnoeabs.peaks (7.45, 1.00, 19.20 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.95: H VAL 25 + QG2 THR 37 OK 95 100 100 95 3.3-3.7 8959/3.0=46...(8) HZ2 TRP 60 - QG2 THR 37 far 0 96 0 - 6.0-6.3 Violated in 1 structures by 0.00 A. Peak 8271 from cnoeabs.peaks (7.07, 3.49, 63.43 ppm; 4.48 A increased from 3.98 A): 2 out of 2 assignments used, quality = 0.98: QE PHE 40 + HB2 SER 38 OK 91 99 100 92 3.9-4.4 10881/1085=43...(10) HZ PHE 40 + HB2 SER 38 OK 73 96 90 85 4.5-5.3 10760/9181=32...(10) Violated in 0 structures by 0.00 A. Peak 8272 from cnoeabs.peaks (7.07, 3.70, 63.43 ppm; 4.23 A): 0 out of 2 assignments used, quality = 0.00: QE PHE 40 - HB3 SER 38 far 0 100 0 - 5.4-5.8 HZ PHE 40 - HB3 SER 38 far 0 88 0 - 5.8-6.6 Violated in 20 structures by 1.01 A. Peak 8273 from cnoeabs.peaks (4.86, 3.49, 63.43 ppm; 4.66 A increased from 3.92 A): 1 out of 1 assignment used, quality = 0.90: HA THR 37 + HB2 SER 38 OK 90 92 100 98 4.6-4.8 3.6/1085=78, 8274/1.8=74...(5) Violated in 1 structures by 0.00 A. Peak 8274 from cnoeabs.peaks (4.87, 3.70, 63.43 ppm; 4.84 A increased from 4.07 A): 1 out of 1 assignment used, quality = 0.95: HA THR 37 + HB3 SER 38 OK 95 96 100 99 4.6-4.7 8273/1.8=83...(6) Violated in 0 structures by 0.00 A. Peak 8284 from cnoeabs.peaks (0.33, 2.66, 41.01 ppm; 4.42 A): 1 out of 8 assignments used, quality = 0.88: QG2 ILE 61 + HB3 ASP 65 OK 88 88 100 100 2.3-3.1 8373=97, 8372/1.8=94...(13) QD2 LEU 55 - HB3 ASP 65 far 0 89 0 - 5.6-6.4 QG1 VAL 21 - HB2 PHE 40 far 0 88 0 - 7.0-7.4 QD2 LEU 55 - HB2 PHE 40 far 0 100 0 - 8.4-8.9 QG1 VAL 21 - HB2 ASP 82 far 0 72 0 - 8.6-9.1 QG2 VAL 76 - HB2 ASP 82 far 0 48 0 - 8.7-9.5 HB2 LYS 58 - HB3 ASP 65 far 0 78 0 - 9.0-10.0 QG2 VAL 76 - HB2 PHE 40 far 0 61 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8290 from cnoeabs.peaks (6.90, 1.57, 26.05 ppm; 5.39 A): 2 out of 7 assignments used, quality = 1.00: QD PHE 41 + HG2 ARG 44 OK 99 100 100 99 2.7-5.3 ~10902=55, ~10899=53...(11) QD PHE 41 + HG3 ARG 44 OK 99 100 100 99 3.1-5.7 ~10902=55, ~10899=53...(11) HH2 TRP 80 - HG2 ARG 44 far 0 90 0 - 7.5-10.6 HH2 TRP 80 - HG3 ARG 44 far 0 89 0 - 8.0-10.6 HE22 GLN 19 - HG2 ARG 44 far 0 61 0 - 9.4-15.4 HE22 GLN 19 - HG3 ARG 44 far 0 61 0 - 9.5-15.2 H LEU 17 - HG2 ARG 44 far 0 87 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 8293 from cnoeabs.peaks (1.63, 1.47, 21.93 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.91: HB2 ARG 44 + QB ALA 45 OK 91 99 100 91 3.0-3.6 6542/2.9=51, 9272/2.1=28...(12) HB2 GLN 50 - QB ALA 45 far 0 100 0 - 4.8-5.3 HB3 PRO 43 - QB ALA 45 far 0 98 0 - 7.2-7.5 Violated in 1 structures by 0.00 A. Peak 8295 from cnoeabs.peaks (4.23, 1.47, 21.93 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.90: HA ALA 47 + QB ALA 45 OK 90 100 100 90 4.3-4.6 2.9/8301=58...(7) HA ALA 24 - QB ALA 45 far 0 92 0 - 9.2-9.7 HA SER 38 - QB ALA 45 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8296 from cnoeabs.peaks (6.37, 1.47, 21.93 ppm; 3.71 A increased from 3.49 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 50 + QB ALA 45 OK 100 100 100 100 3.3-3.7 9393=99, 1.7/9394=78...(6) Violated in 0 structures by 0.00 A. Peak 8297 from cnoeabs.peaks (7.35, 1.47, 21.93 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: HE22 GLN 50 + QB ALA 45 OK 100 100 100 100 2.4-3.7 9394=99, 1.7/9393=77...(6) HZ3 TRP 42 - QB ALA 45 far 0 98 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 8298 from cnoeabs.peaks (5.13, 1.47, 21.93 ppm; 4.91 A increased from 4.62 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 46 + QB ALA 45 OK 100 100 100 100 4.5-4.8 5.0=96, 3.0/1321=91...(9) HA ASN 20 - QB ALA 45 far 0 87 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 8299 from cnoeabs.peaks (2.40, 1.47, 21.93 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.99: HG2 GLN 50 + QB ALA 45 OK 97 97 100 100 2.8-3.2 3.5/9394=76, 1.8/9271=75...(7) HB2 PHE 41 + QB ALA 45 OK 76 91 100 83 3.8-4.8 4.0/9261=55...(3) Violated in 0 structures by 0.00 A. Peak 8300 from cnoeabs.peaks (3.16, 1.47, 21.93 ppm; 5.40 A increased from 4.32 A): 3 out of 3 assignments used, quality = 1.00: HB3 ASP 46 + QB ALA 45 OK 99 99 100 100 4.7-5.6 1.8/9270=93...(7) HB2 TRP 42 + QB ALA 45 OK 95 99 100 97 4.8-5.3 ~8294=53, ~9240=42...(10) HB3 TRP 42 + QB ALA 45 OK 94 99 100 96 5.3-5.9 ~8294=53, ~9240=42...(10) Violated in 0 structures by 0.00 A. Peak 8301 from cnoeabs.peaks (7.85, 1.47, 21.93 ppm; 5.17 A increased from 4.87 A): 1 out of 2 assignments used, quality = 1.00: H ALA 47 + QB ALA 45 OK 100 100 100 100 4.5-4.9 2.9/8295=76, 4.6/1321=72...(10) HE22 GLN 49 - QB ALA 45 far 0 91 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 8303 from cnoeabs.peaks (0.75, 1.43, 20.20 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 23 + QB ALA 47 OK 100 100 100 100 1.9-2.0 2.1/8305=60...(18) QG2 VAL 69 - QB ALA 47 far 0 84 0 - 7.9-8.3 QD2 LEU 109 - QB ALA 47 far 0 100 0 - 9.2-18.3 Violated in 0 structures by 0.00 A. Peak 8304 from cnoeabs.peaks (0.58, 1.43, 20.20 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 77 + QB ALA 47 OK 100 100 100 100 2.0-2.3 10789=95, 8546/8303=53...(15) HB2 PRO 43 - QB ALA 47 far 0 100 0 - 6.5-6.9 QD1 LEU 83 - QB ALA 47 far 0 92 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 8305 from cnoeabs.peaks (1.24, 1.43, 20.20 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.97: HG13 ILE 23 + QB ALA 47 OK 97 99 100 98 1.8-2.0 2.1/8303=71, 1.8/8143=63...(12) HD2 LYS 52 - QB ALA 47 far 0 100 0 - 7.3-9.0 HB3 LEU 15 - QB ALA 47 far 0 98 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 8306 from cnoeabs.peaks (1.05, 1.43, 20.20 ppm; 4.29 A increased from 4.04 A): 1 out of 1 assignment used, quality = 0.91: HB3 GLN 50 + QB ALA 47 OK 91 94 100 97 4.2-4.3 1411/2.1=50, ~1401=48...(9) Violated in 2 structures by 0.00 A. Peak 8307 from cnoeabs.peaks (2.67, 1.43, 20.20 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: HB2 PHE 40 + QB ALA 47 OK 100 100 100 100 2.1-2.9 9216=79, 1.8/8309=65...(18) HB3 GLN 81 - QB ALA 47 far 0 65 0 - 8.5-10.0 HG3 GLN 72 - QB ALA 47 far 0 73 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 8308 from cnoeabs.peaks (3.16, 1.43, 20.20 ppm; 3.33 A): 2 out of 4 assignments used, quality = 0.99: HB3 TRP 42 + QB ALA 47 OK 89 100 100 90 1.9-2.2 4.2/9282=28...(14) HB2 TRP 42 + QB ALA 47 OK 89 100 100 89 2.1-2.6 4.2/9282=28, 9238=23...(15) HB3 ASP 46 - QB ALA 47 far 0 100 0 - 5.2-5.4 HA LYS 52 - QB ALA 47 far 0 98 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 8309 from cnoeabs.peaks (3.39, 1.43, 20.20 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: HB3 PHE 40 + QB ALA 47 OK 100 100 100 100 2.7-3.0 1.8/8307=68, 9214=63...(15) HB3 TRP 48 - QB ALA 47 poor 19 100 25 78 3.7-4.6 3.0/9315=41...(5) HA ILE 77 - QB ALA 47 far 0 100 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 8310 from cnoeabs.peaks (3.39, 4.23, 54.83 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: HB3 PHE 40 + HA ALA 47 OK 100 100 100 100 1.9-2.0 9223=100, 9214/2.1=88...(11) HB3 TRP 48 - HA ALA 47 far 0 100 0 - 5.8-5.9 HA ILE 77 - HA ALA 47 far 0 100 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 8312 from cnoeabs.peaks (5.12, 1.43, 20.20 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.97: HA ASP 46 + QB ALA 47 OK 97 98 100 100 4.0-4.0 9274=98, 6561/2.9=80...(7) HA ASN 20 - QB ALA 47 far 0 99 0 - 7.5-7.9 HA VAL 25 - QB ALA 47 far 0 99 0 - 8.4-9.0 HA LYS 13 - QB ALA 47 far 0 65 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 8313 from cnoeabs.peaks (5.61, 1.43, 20.20 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.99: HA TRP 42 + QB ALA 47 OK 92 100 100 92 3.7-4.2 4.7/9282=37, 3.0/8308=35...(8) HA ALA 22 + QB ALA 47 OK 83 99 100 84 3.5-3.7 8910/8305=37...(8) Violated in 0 structures by 0.00 A. Peak 8314 from cnoeabs.peaks (9.31, 1.43, 20.20 ppm; 4.43 A increased from 3.94 A): 2 out of 2 assignments used, quality = 1.00: H PHE 41 + QB ALA 47 OK 99 100 100 99 4.2-4.7 9233=58, 6494/10401=58...(11) H TRP 42 + QB ALA 47 OK 98 100 100 98 3.9-4.4 9237=57, 9235/9293=44...(11) Violated in 0 structures by 0.00 A. Peak 8316 from cnoeabs.peaks (7.27, 3.46, 57.68 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.96: HE3 TRP 48 + HA GLN 49 OK 96 100 100 96 2.9-3.4 9296=51, 2.5/9354=48...(8) HE3 TRP 48 - HA LEU 51 far 0 71 0 - 8.2-8.8 QE PHE 10 - HA LEU 51 far 0 64 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8317 from cnoeabs.peaks (8.38, 3.46, 57.68 ppm; 4.46 A): 2 out of 5 assignments used, quality = 1.00: H ASP 53 + HA GLN 49 OK 98 99 100 100 3.9-4.4 1527/1356=52, 6656=50...(13) H ASP 53 + HA LEU 51 OK 68 69 100 99 4.2-4.8 6660/3.6=72...(8) H TRP 48 - HA GLN 49 far 0 59 0 - 5.5-5.5 H TRP 48 - HA LEU 51 far 0 36 0 - 6.9-7.4 H ALA 73 - HA LEU 51 far 0 71 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8324 from cnoeabs.peaks (1.75, 0.48, 25.53 ppm; 3.77 A increased from 3.35 A): 2 out of 5 assignments used, quality = 0.97: HB ILE 23 + QD2 LEU 51 OK 83 84 100 99 3.5-4.1 3.2/8144=73, 3.0/8932=58...(14) HG12 ILE 23 + QD2 LEU 51 OK 81 81 100 100 3.2-3.7 2.1/8144=93, 8932=81...(16) HG LEU 55 - QD2 LEU 51 far 5 100 5 - 4.4-4.8 HB3 ARG 66 - QD2 LEU 51 far 0 70 0 - 6.0-7.4 HB3 LEU 36 - QD2 LEU 51 far 0 100 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 8325 from cnoeabs.peaks (7.08, 3.47, 57.31 ppm; 3.58 A): 2 out of 6 assignments used, quality = 1.00: QE PHE 40 + HA LEU 51 OK 95 96 100 99 1.8-2.2 8157/1483=60...(22) HZ PHE 40 + HA LEU 51 OK 95 99 100 95 2.5-3.9 10768/1483=29...(21) HH2 TRP 48 - HA GLN 49 far 0 71 0 - 5.8-6.2 QE PHE 40 - HA GLN 49 far 0 65 0 - 7.4-7.6 HZ PHE 40 - HA GLN 49 far 0 70 0 - 8.4-8.8 QD PHE 10 - HA LEU 51 far 0 59 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 8326 from cnoeabs.peaks (7.09, 0.48, 25.53 ppm; 4.41 A increased from 3.92 A): 2 out of 5 assignments used, quality = 0.95: QE PHE 40 + QD2 LEU 51 OK 79 79 100 100 3.4-4.7 8157/2.1=93...(21) QD PHE 40 + QD2 LEU 51 OK 75 75 100 100 3.7-4.3 10759=69, 9220/2.1=66...(28) HZ PHE 40 - QD2 LEU 51 far 0 100 0 - 5.4-6.8 HE22 GLN 72 - QD2 LEU 51 far 0 70 0 - 7.0-7.4 HH2 TRP 48 - QD2 LEU 51 far 0 94 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 8330 from cnoeabs.peaks (-0.14, 3.15, 60.30 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HA LYS 52 OK 100 100 100 100 2.4-3.1 8464=100, 8327/3.0=55...(24) Violated in 0 structures by 0.00 A. Peak 8332 from cnoeabs.peaks (-0.14, 0.47, 31.50 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HB2 LYS 52 OK 100 100 100 100 2.8-4.2 8464/3.0=87...(29) Violated in 0 structures by 0.00 A. Peak 8333 from cnoeabs.peaks (0.40, 1.16, 30.05 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.90: QD1 LEU 70 + HD3 LYS 52 OK 90 90 100 100 2.6-4.2 10434/1.8=60...(25) QD1 LEU 55 - HD3 LYS 52 far 0 75 0 - 6.5-7.4 Violated in 3 structures by 0.03 A. Peak 8335 from cnoeabs.peaks (7.06, 1.96, 29.33 ppm; 3.64 A): 4 out of 12 assignments used, quality = 0.93: HE22 GLN 72 + HB2 GLN 72 OK 66 66 100 99 3.3-3.4 7019/3.0=63, 4.5=51...(11) HE22 GLN 72 + HB3 GLU 101 OK 54 99 100 54 2.5-2.8 1.7/9483=26, ~10708=12...(6) QE PHE 40 + HB2 GLU 54 OK 44 99 45 99 4.0-4.7 9946/3.0=45...(19) HZ PHE 40 + HB2 GLU 54 OK 25 71 35 99 3.3-4.4 2.2/10853=35...(23) QE PHE 99 - HB2 GLN 72 far 0 65 0 - 5.5-6.5 HD21 ASN 68 - HB3 GLU 101 far 0 99 0 - 5.7-6.0 QE PHE 99 - HB3 GLU 101 far 0 98 0 - 6.5-7.4 HD21 ASN 68 - HB2 GLN 72 far 0 67 0 - 6.5-6.9 QD PHE 10 - HB2 GLU 54 far 0 97 0 - 6.8-7.4 QE PHE 99 - HG13 ILE 90 far 0 99 0 - 7.2-8.7 QE PHE 99 - HB2 GLU 94 far 0 81 0 - 7.6-8.5 QD PHE 10 - HB3 GLU 63 far 0 92 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 8336 from cnoeabs.peaks (7.09, 2.14, 29.33 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: HZ PHE 40 + HB3 GLU 54 OK 99 100 100 99 2.6-3.5 8337/1649=39...(24) QE PHE 40 + HB3 GLU 54 OK 86 87 100 99 3.0-3.8 8157/10683=48...(19) QD PHE 40 - HB3 GLU 54 far 0 65 0 - 5.2-5.7 H LYS 98 - HB3 GLU 94 far 0 88 0 - 6.1-7.2 H LYS 98 - HG12 ILE 90 far 0 92 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 8337 from cnoeabs.peaks (7.08, 2.26, 35.99 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.98: HZ PHE 40 + HG3 GLU 54 OK 96 98 100 99 2.5-3.6 8338/1.8=39, ~9946=37...(21) QE PHE 40 + HG3 GLU 54 OK 48 99 50 98 3.7-4.4 8338/1.8=38...(18) QD PHE 10 - HG3 GLU 54 far 0 70 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 8338 from cnoeabs.peaks (7.08, 2.35, 35.99 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: HZ PHE 40 + HG2 GLU 54 OK 97 99 100 98 1.8-1.9 8337/1.8=44, 10764=33...(24) QE PHE 40 + HG2 GLU 54 OK 94 96 100 98 2.5-3.3 10400/8264=34...(19) QE PHE 99 - HG2 GLU 75 far 0 51 0 - 4.2-5.4 HE22 GLN 72 - HG2 GLU 75 far 0 68 0 - 6.3-7.5 QD PHE 10 - HG2 GLU 54 far 0 61 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 8339 from cnoeabs.peaks (0.97, 4.04, 58.78 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.81: QG2 THR 37 + HA GLU 54 OK 81 82 100 99 3.9-4.1 9192/3.0=64...(7) QG1 VAL 25 - HA GLU 54 far 0 100 0 - 7.0-7.3 HG3 LYS 52 - HA GLU 54 far 0 77 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 8340 from cnoeabs.peaks (0.99, 1.96, 29.33 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: QG2 THR 37 + HB2 GLU 54 OK 100 100 100 100 1.8-1.9 9192=100, 9189/1.8=83...(17) QG1 VAL 25 - HB2 GLU 54 far 9 92 10 - 4.7-5.1 QG2 THR 74 - HB2 GLN 72 far 0 40 0 - 6.6-6.9 HB3 GLN 50 - HB2 GLU 54 far 0 68 0 - 7.6-8.3 QG2 THR 74 - HB3 GLU 101 far 0 68 0 - 8.3-8.5 QG1 VAL 25 - HB2 GLN 72 far 0 56 0 - 8.4-8.7 QG1 VAL 25 - HB3 GLU 101 far 0 89 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 8343 from cnoeabs.peaks (1.01, 2.26, 35.99 ppm; 3.66 A increased from 3.44 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 37 + HG3 GLU 54 OK 99 99 100 100 3.5-3.7 9188=85, 8264/1.8=78...(12) HB3 GLN 50 - HG3 GLU 54 far 0 87 0 - 6.5-7.4 QG1 VAL 25 - HG3 GLU 54 far 0 75 0 - 7.0-7.4 Violated in 1 structures by 0.00 A. Peak 8344 from cnoeabs.peaks (0.84, 2.26, 35.99 ppm; 4.10 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 51 - HG3 GLU 54 far 0 93 0 - 5.1-5.5 QG2 VAL 25 - HG3 GLU 54 far 0 99 0 - 7.7-8.1 QD1 LEU 12 - HG3 GLU 54 far 0 99 0 - 9.6-10.1 Violated in 20 structures by 1.14 A. Peak 8345 from cnoeabs.peaks (0.99, 2.35, 35.99 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 37 + HG2 GLU 54 OK 99 100 100 99 2.5-3.0 8264=82, 8343/1.8=56...(12) QG2 THR 74 + HG2 GLU 75 OK 42 50 100 84 2.1-2.9 4.2/7063=26...(11) HB3 GLN 50 - HG2 GLU 54 far 0 68 0 - 5.8-6.7 QG1 VAL 25 - HG2 GLU 54 far 0 92 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 8346 from cnoeabs.peaks (0.83, 2.35, 35.99 ppm; 4.72 A increased from 4.20 A): 1 out of 10 assignments used, quality = 0.85: QD1 LEU 51 + HG2 GLU 54 OK 85 85 100 99 4.1-4.5 10683/1642=77...(9) QG2 VAL 102 - HG2 GLU 75 poor 16 78 20 - 5.1-6.2 QG2 VAL 25 - HG2 GLU 54 far 0 96 0 - 6.6-7.0 QD1 LEU 12 - HG2 GLU 75 far 0 74 0 - 6.6-7.6 QG2 ILE 23 - HG2 GLU 75 far 0 56 0 - 7.9-8.5 HG2 LYS 52 - HG2 GLU 54 far 0 59 0 - 8.0-9.2 HD2 LYS 98 - HG2 GLU 75 far 0 47 0 - 8.0-10.1 QD1 LEU 12 - HG2 GLU 54 far 0 97 0 - 8.3-8.9 QG2 VAL 25 - HG2 GLU 75 far 0 73 0 - 9.0-10.0 QG2 ILE 23 - HG2 GLU 54 far 0 79 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 8347 from cnoeabs.peaks (2.86, 2.26, 35.99 ppm; 4.25 A): 0 out of 1 assignment used, quality = 0.00: HE2 LYS 58 - HG3 GLU 54 far 5 100 5 - 4.7-6.6 Violated in 20 structures by 1.03 A. Peak 8348 from cnoeabs.peaks (0.88, 0.43, 25.67 ppm; 3.00 A): 3 out of 17 assignments used, quality = 0.99: QG1 VAL 69 + QD1 LEU 55 OK 94 97 100 97 3.0-3.2 8451=80, 2.1/10472=40...(12) QD1 LEU 51 + QD1 LEU 55 OK 79 91 100 88 2.1-2.4 8071/2.1=49...(12) QG2 VAL 25 + QD1 LEU 55 OK 57 75 100 76 2.2-2.8 ~8150=22, ~8947=20...(14) QG2 ILE 67 - QD1 LEU 70 far 0 70 0 - 4.0-4.2 QD1 LEU 51 - QD1 LEU 70 far 0 72 0 - 4.2-4.4 QG2 VAL 25 - QD1 LEU 70 far 0 57 0 - 4.9-5.1 QD1 LEU 12 - QD1 LEU 55 far 0 73 0 - 4.9-5.4 QG1 VAL 69 - QD1 LEU 70 far 0 79 0 - 5.3-5.5 QD1 LEU 12 - QD1 LEU 70 far 0 56 0 - 5.7-6.1 QG2 ILE 67 - QD1 LEU 55 far 0 90 0 - 6.4-6.6 QG2 ILE 11 - QD1 LEU 55 far 0 82 0 - 7.0-7.4 QG2 VAL 103 - QD1 LEU 55 far 0 95 0 - 8.3-9.5 QG1 VAL 6 - QD1 LEU 55 far 0 68 0 - 8.4-10.4 QG1 VAL 103 - QD1 LEU 55 far 0 100 0 - 8.5-10.1 QG2 VAL 102 - QD1 LEU 55 far 0 59 0 - 8.5-8.8 QG2 VAL 102 - QD1 LEU 70 far 0 44 0 - 8.8-9.1 QG2 ILE 11 - QD1 LEU 70 far 0 64 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 8349 from cnoeabs.peaks (1.12, 0.43, 25.67 ppm; 3.76 A increased from 3.17 A): 4 out of 11 assignments used, quality = 1.00: HG LEU 51 + QD1 LEU 55 OK 97 100 100 97 3.0-3.8 ~8071=51, 10429=35...(13) HG LEU 51 + QD1 LEU 70 OK 83 84 100 99 3.5-3.8 8469/2.1=62, ~9410=49...(15) HG3 ARG 66 + QD1 LEU 70 OK 65 78 85 97 3.4-4.9 8428/8429=51, 9712=45...(14) HG3 ARG 66 + QD1 LEU 55 OK 38 96 40 99 2.9-4.5 9712=46, 1.8/9710=41...(31) QD1 LEU 36 - QD1 LEU 55 far 0 71 0 - 5.0-5.4 HB2 LEU 51 - QD1 LEU 55 far 0 98 0 - 5.1-5.7 HB2 LEU 51 - QD1 LEU 70 far 0 80 0 - 5.1-6.3 QG2 THR 8 - QD1 LEU 55 far 0 71 0 - 7.0-7.5 HG2 LYS 13 - QD1 LEU 55 far 0 73 0 - 8.0-9.9 HG3 LYS 13 - QD1 LEU 55 far 0 73 0 - 8.3-9.7 QD1 LEU 36 - QD1 LEU 70 far 0 54 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 8350 from cnoeabs.peaks (1.44, 0.43, 25.67 ppm; 3.07 A): 2 out of 11 assignments used, quality = 0.96: HG LEU 70 + QD1 LEU 70 OK 83 83 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD1 LEU 55 OK 74 99 100 75 3.0-3.4 11285/8450=31, 2228=31...(9) HB2 LEU 36 - QD1 LEU 55 far 0 88 0 - 5.5-5.9 QB ALA 57 - QD1 LEU 55 far 0 100 0 - 6.6-6.7 HG13 ILE 11 - QD1 LEU 55 far 0 98 0 - 7.3-8.7 HG3 LYS 58 - QD1 LEU 55 far 0 75 0 - 7.5-7.9 QB ALA 47 - QD1 LEU 70 far 0 83 0 - 7.7-8.2 QB ALA 57 - QD1 LEU 70 far 0 84 0 - 7.7-8.1 QB ALA 47 - QD1 LEU 55 far 0 99 0 - 8.4-8.6 HB ILE 77 - QD1 LEU 70 far 0 65 0 - 9.6-9.9 HB2 LEU 36 - QD1 LEU 70 far 0 69 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8351 from cnoeabs.peaks (0.08, 0.33, 21.38 ppm; 3.69 A increased from 3.28 A): 1 out of 2 assignments used, quality = 0.94: QD1 ILE 61 + QD2 LEU 55 OK 94 94 100 100 3.3-3.6 8249/8248=70...(27) QD1 LEU 15 - QG2 VAL 76 far 0 35 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 8353 from cnoeabs.peaks (7.03, 0.33, 21.38 ppm; 4.35 A): 3 out of 8 assignments used, quality = 0.99: QD PHE 10 + QD2 LEU 55 OK 98 99 100 100 2.9-3.2 8238/8248=79...(15) QE PHE 99 + QG2 VAL 76 OK 55 55 100 100 2.9-3.1 9922/3.2=66...(22) QE PHE 40 + QD2 LEU 55 OK 39 70 65 85 4.8-5.1 8156/8071=63...(7) H LYS 58 - QD2 LEU 55 far 0 91 0 - 5.0-5.2 HE22 GLN 72 - QG2 VAL 76 far 0 43 0 - 6.5-6.8 HD21 ASN 68 - QD2 LEU 55 far 0 88 0 - 7.6-8.1 HD21 ASN 68 - QG2 VAL 76 far 0 49 0 - 9.0-9.3 HE22 GLN 72 - QD2 LEU 55 far 0 79 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8356 from cnoeabs.peaks (-0.09, 4.17, 52.42 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 8357 from cnoeabs.peaks (1.93, 1.44, 18.21 ppm; 4.40 A increased from 3.91 A): 2 out of 3 assignments used, quality = 0.99: HB2 GLU 56 + QB ALA 57 OK 93 94 100 99 4.2-4.3 6735/6740=82...(9) HB2 GLU 54 + QB ALA 57 OK 84 85 100 99 4.7-4.9 3.0/1744=86, 4.0/9532=47...(8) HG3 GLU 56 - QB ALA 57 far 0 71 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 8368 from cnoeabs.peaks (1.57, 3.90, 61.22 ppm; 3.96 A increased from 3.52 A): 2 out of 6 assignments used, quality = 1.00: QB ALA 62 + HA ILE 61 OK 100 100 100 100 3.7-3.9 8389=95, 6815/6808=88...(12) HB3 LYS 58 + HA ILE 61 OK 59 95 65 96 4.5-4.9 8377/1905=62...(11) HB2 LEU 55 - HA ILE 61 far 0 70 0 - 6.2-7.1 HB2 ARG 66 - HA ILE 61 far 0 93 0 - 6.5-7.5 HG LEU 36 - HA ILE 61 far 0 100 0 - 7.4-7.9 HG13 ILE 67 - HA ILE 61 far 0 81 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8369 from cnoeabs.peaks (1.13, 0.34, 15.66 ppm; 4.00 A increased from 3.77 A): 1 out of 6 assignments used, quality = 1.00: HG3 ARG 66 + QG2 ILE 61 OK 100 100 100 100 2.1-4.0 9713=99, 1.8/9711=63...(14) QD1 LEU 36 - QG2 ILE 61 far 14 92 15 - 4.5-5.5 HG LEU 51 - QG2 ILE 61 far 0 93 0 - 6.8-7.5 QG2 THR 5 - QG2 ILE 61 far 0 100 0 - 7.7-12.0 HD3 LYS 52 - QG2 ILE 61 far 0 81 0 - 8.6-10.0 HB2 LEU 51 - QG2 ILE 61 far 0 84 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 8370 from cnoeabs.peaks (1.71, 0.34, 15.66 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: HB3 ARG 66 + QG2 ILE 61 OK 100 100 100 100 2.1-4.7 6860/8418=67...(18) HG LEU 55 + QG2 ILE 61 OK 61 70 90 98 4.4-4.8 2.1/1693=44, ~8351=36...(18) HB3 LEU 36 - QG2 ILE 61 far 0 63 0 - 6.4-7.4 HB VAL 25 - QG2 ILE 61 far 0 100 0 - 7.0-7.6 Violated in 3 structures by 0.01 A. Peak 8371 from cnoeabs.peaks (1.57, 0.34, 15.66 ppm; 3.20 A): 3 out of 7 assignments used, quality = 1.00: QB ALA 62 + QG2 ILE 61 OK 100 100 100 100 3.6-3.7 6815/6810=58, 8393=57...(20) HB2 ARG 66 + QG2 ILE 61 OK 89 96 95 97 2.8-3.9 2.9/9713=38, 3.0/9624=37...(17) HB2 LEU 55 + QG2 ILE 61 OK 73 77 100 94 2.6-3.6 3.1/1693=26, 1.8/9616=25...(25) HB3 LYS 58 - QG2 ILE 61 far 0 91 0 - 4.1-4.5 HG LEU 36 - QG2 ILE 61 far 0 99 0 - 5.3-6.2 HG13 ILE 67 - QG2 ILE 61 far 0 87 0 - 5.7-6.7 HB2 LEU 70 - QG2 ILE 61 far 0 73 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 8372 from cnoeabs.peaks (2.46, 0.34, 15.66 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 65 + QG2 ILE 61 OK 100 100 100 100 2.7-4.1 8416=77, 1.8/8373=75...(12) HB2 ASP 53 - QG2 ILE 61 far 0 90 0 - 8.8-9.8 Violated in 1 structures by 0.03 A. Peak 8373 from cnoeabs.peaks (2.65, 0.34, 15.66 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.99: HB3 ASP 65 + QG2 ILE 61 OK 99 100 100 99 2.3-3.1 1.8/8372=70, 8284=50...(13) HB3 PHE 10 - QG2 ILE 61 far 0 99 0 - 4.9-6.0 HG3 GLN 72 - QG2 ILE 61 far 0 96 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8374 from cnoeabs.peaks (0.79, 0.10, 14.62 ppm; 3.14 A): 1 out of 8 assignments used, quality = 1.00: QD2 LEU 36 + QD1 ILE 61 OK 100 100 100 100 2.4-2.7 8249=98, 2.1/8251=67...(20) HB3 LEU 55 - QD1 ILE 61 poor 19 96 20 - 3.2-4.2 QG2 VAL 69 - QD1 ILE 61 far 0 100 0 - 6.1-6.6 QD1 ILE 11 - QD1 ILE 61 far 0 93 0 - 7.4-9.0 QD1 ILE 67 - QD1 ILE 61 far 0 96 0 - 7.9-8.3 QG2 ILE 28 - QD1 ILE 61 far 0 100 0 - 8.3-8.5 QG1 VAL 29 - QD1 ILE 61 far 0 71 0 - 8.4-8.6 HG2 LYS 52 - QD1 ILE 61 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8375 from cnoeabs.peaks (1.37, 0.10, 14.62 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.98: HD3 LYS 58 + QD1 ILE 61 OK 98 98 100 100 1.9-3.1 9551=97, 1.8/9396=77...(23) QB ALA 64 - QD1 ILE 61 far 0 100 0 - 7.9-8.1 QB ALA 3 - QD1 ILE 61 far 0 98 0 - 9.4-14.3 HB3 LYS 52 - QD1 ILE 61 far 0 90 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 8376 from cnoeabs.peaks (1.14, 0.10, 14.62 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: QD1 LEU 36 + QD1 ILE 61 OK 100 100 100 100 2.6-2.9 8251=99, 2.1/8249=76...(19) HG3 ARG 66 - QD1 ILE 61 far 0 99 0 - 5.1-7.6 QG2 THR 5 - QD1 ILE 61 far 0 99 0 - 8.3-11.0 HG LEU 51 - QD1 ILE 61 far 0 73 0 - 8.4-9.2 HB2 LEU 51 - QD1 ILE 61 far 0 59 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 8377 from cnoeabs.peaks (1.57, 0.10, 14.62 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.93: HB3 LYS 58 + QD1 ILE 61 OK 93 93 100 100 1.9-2.3 9548=47, 1.8/9547=45...(29) HG LEU 36 - QD1 ILE 61 far 0 100 0 - 4.1-4.3 HB2 LEU 55 - QD1 ILE 61 far 0 73 0 - 4.7-5.6 QB ALA 62 - QD1 ILE 61 far 0 100 0 - 4.7-5.1 HB2 ARG 66 - QD1 ILE 61 far 0 95 0 - 5.6-6.4 HG13 ILE 67 - QD1 ILE 61 far 0 84 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 8380 from cnoeabs.peaks (3.70, 0.10, 14.62 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: HA LEU 55 + QD1 ILE 61 OK 100 100 100 100 3.1-3.8 1696/8351=60...(24) HA GLU 63 - QD1 ILE 61 far 0 81 0 - 7.3-7.7 HB2 SER 34 - QD1 ILE 61 far 0 61 0 - 7.4-9.3 HD2 PRO 35 - QD1 ILE 61 far 0 100 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 8381 from cnoeabs.peaks (7.23, 0.10, 14.62 ppm; 3.60 A): 4 out of 4 assignments used, quality = 1.00: QE PHE 10 + QD1 ILE 61 OK 92 93 100 99 1.9-2.3 2.2/9639=34, 8383/3.3=32...(25) HZ3 TRP 60 + QD1 ILE 61 OK 88 99 100 90 3.5-3.7 4.3/9640=28, 2.5/9639=28...(15) HH2 TRP 60 + QD1 ILE 61 OK 76 82 100 92 3.4-3.6 2.5/9640=39...(13) HD1 TRP 60 + QD1 ILE 61 OK 63 65 100 96 3.3-3.5 2.6/9601=56...(14) Violated in 0 structures by 0.00 A. Peak 8382 from cnoeabs.peaks (6.89, 0.34, 15.66 ppm; 4.51 A increased from 4.01 A): 1 out of 2 assignments used, quality = 0.99: H ASP 65 + QG2 ILE 61 OK 99 99 100 100 4.3-4.5 6854/8418=81...(9) H TRP 60 - QG2 ILE 61 far 0 99 0 - 5.3-5.7 Violated in 1 structures by 0.00 A. Peak 8383 from cnoeabs.peaks (7.26, 0.34, 15.66 ppm; 3.82 A increased from 3.59 A): 1 out of 3 assignments used, quality = 0.98: QE PHE 10 + QG2 ILE 61 OK 98 99 100 99 2.6-4.0 2.2/11038=62...(21) HZ3 TRP 60 - QG2 ILE 61 far 0 61 0 - 4.8-6.2 HH2 TRP 60 - QG2 ILE 61 far 0 100 0 - 5.0-6.5 Violated in 1 structures by 0.01 A. Peak 8384 from cnoeabs.peaks (7.82, 0.34, 15.66 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.99: H ARG 66 + QG2 ILE 61 OK 99 99 100 100 3.1-3.5 8418=98, 3.0/9624=50...(16) H THR 37 - QG2 ILE 61 far 0 100 0 - 8.1-9.0 HD22 ASN 71 - QG2 ILE 61 far 0 70 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8386 from cnoeabs.peaks (6.88, 1.58, 18.56 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: H ASP 65 + QB ALA 62 OK 100 100 100 100 2.3-2.4 8412=100, 6844/8409=47...(11) H TRP 60 - QB ALA 62 far 0 100 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 8388 from cnoeabs.peaks (3.87, 4.19, 51.92 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.79: HA ILE 61 + HA ALA 62 OK 79 79 100 100 4.4-4.5 9633=76, 6808/3.0=75...(9) HA ILE 61 - HA ALA 57 far 0 32 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 8389 from cnoeabs.peaks (3.89, 1.58, 18.56 ppm; 4.01 A increased from 3.38 A): 1 out of 3 assignments used, quality = 0.99: HA ILE 61 + QB ALA 62 OK 99 99 100 100 3.7-3.9 6808/6815=89, 8368=62...(12) HB3 SER 4 - QB ALA 62 far 0 85 0 - 8.8-14.7 HA VAL 69 - QB ALA 62 far 0 81 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 8390 from cnoeabs.peaks (2.65, 1.58, 18.56 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 65 + QB ALA 62 OK 100 100 100 100 2.2-3.0 6847/8412=72...(12) HB3 PHE 10 - QB ALA 62 far 0 100 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 8392 from cnoeabs.peaks (1.37, 1.58, 18.56 ppm; 3.39 A increased from 3.01 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 64 + QB ALA 62 OK 100 100 100 100 3.1-3.3 8409=99, 6844/8412=66...(10) HD3 LYS 58 - QB ALA 62 far 0 99 0 - 8.3-8.9 QB ALA 3 - QB ALA 62 far 0 96 0 - 8.6-14.2 Violated in 0 structures by 0.00 A. Peak 8393 from cnoeabs.peaks (0.33, 1.58, 18.56 ppm; 3.85 A increased from 3.62 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 61 + QB ALA 62 OK 100 100 100 100 3.6-3.7 6810/6815=78...(20) QD2 LEU 55 - QB ALA 62 far 0 100 0 - 7.0-7.2 HB2 LYS 58 - QB ALA 62 far 0 96 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 8394 from cnoeabs.peaks (0.89, 2.17, 35.50 ppm; 4.12 A increased from 3.88 A): 1 out of 4 assignments used, quality = 0.98: QG2 ILE 67 + HG2 GLU 63 OK 98 98 100 100 3.9-4.0 2.1/8399=81, 9747=53...(25) QG2 ILE 67 - HG3 GLU 63 far 15 98 15 - 4.6-5.1 QG1 VAL 69 - HG2 GLU 63 far 0 100 0 - 8.5-8.7 QG1 VAL 69 - HG3 GLU 63 far 0 100 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 8395 from cnoeabs.peaks (0.80, 2.17, 35.50 ppm; 3.39 A increased from 2.86 A): 2 out of 8 assignments used, quality = 1.00: QD1 ILE 67 + HG2 GLU 63 OK 100 100 100 100 3.1-3.4 8433=57, 3.2/8399=45...(22) QD1 ILE 67 + HG3 GLU 63 OK 75 100 75 100 2.4-4.3 8433=42, 8433/1.8=41...(23) QG2 VAL 69 - HG2 GLU 63 far 0 87 0 - 7.3-7.6 QG2 VAL 69 - HG3 GLU 63 far 0 87 0 - 7.4-8.9 HB3 LEU 55 - HG3 GLU 63 far 0 70 0 - 8.8-10.9 HG2 LYS 52 - HG3 GLU 63 far 0 99 0 - 9.1-13.0 HB3 LEU 55 - HG2 GLU 63 far 0 69 0 - 9.2-9.8 HG2 LYS 52 - HG2 GLU 63 far 0 99 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 8396 from cnoeabs.peaks (1.71, 2.17, 35.50 ppm; 4.17 A): 0 out of 2 assignments used, quality = 0.00: HB3 ARG 66 - HG3 GLU 63 far 0 100 0 - 5.0-7.4 HB3 ARG 66 - HG2 GLU 63 far 0 100 0 - 5.8-6.4 Violated in 20 structures by 1.26 A. Peak 8397 from cnoeabs.peaks (1.24, 2.17, 35.50 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: HG12 ILE 67 + HG2 GLU 63 OK 99 99 100 100 2.4-2.6 3.0/8399=57, 9748=50...(24) HG12 ILE 67 + HG3 GLU 63 OK 99 99 100 100 3.0-3.7 9748=50, 1.8/8398=41...(25) HB ILE 61 - HG3 GLU 63 far 0 69 0 - 8.1-10.1 HB ILE 61 - HG2 GLU 63 far 0 70 0 - 8.9-9.6 HD2 LYS 52 - HG3 GLU 63 far 0 100 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 8398 from cnoeabs.peaks (1.60, 2.17, 35.50 ppm; 3.35 A): 2 out of 10 assignments used, quality = 1.00: HG13 ILE 67 + HG2 GLU 63 OK 100 100 100 100 1.9-2.1 3.0/8399=47, 9749=45...(23) HG13 ILE 67 + HG3 GLU 63 OK 100 100 100 100 2.4-3.7 9749=45, 1963/4.1=36...(23) QB ALA 62 - HG2 GLU 63 far 0 91 0 - 5.7-5.8 QB ALA 62 - HG3 GLU 63 far 0 91 0 - 6.1-6.3 HB2 ARG 66 - HG3 GLU 63 far 0 99 0 - 6.5-8.6 HB2 ARG 66 - HG2 GLU 63 far 0 99 0 - 7.1-7.4 HB2 LEU 55 - HG3 GLU 63 far 0 100 0 - 8.4-10.7 HB2 LEU 55 - HG2 GLU 63 far 0 100 0 - 8.9-9.6 HB2 LEU 70 - HG3 GLU 63 far 0 99 0 - 9.0-10.9 HB2 LEU 70 - HG2 GLU 63 far 0 99 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 8399 from cnoeabs.peaks (1.82, 2.17, 35.50 ppm; 3.68 A increased from 3.46 A): 1 out of 3 assignments used, quality = 0.99: HB ILE 67 + HG2 GLU 63 OK 99 99 100 100 3.6-3.7 2.1/8394=57...(26) HB ILE 67 - HG3 GLU 63 far 0 99 0 - 4.7-5.3 HB3 GLU 56 - HG3 GLU 63 far 0 98 0 - 8.5-11.4 Violated in 3 structures by 0.01 A. Peak 8400 from cnoeabs.peaks (1.38, 2.17, 35.50 ppm; 4.40 A increased from 3.91 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 64 + HG2 GLU 63 OK 100 100 100 100 4.2-4.3 9684=100, 6836/1992=89...(17) QB ALA 64 - HG3 GLU 63 far 15 100 15 - 4.7-5.5 HB3 LYS 52 - HG3 GLU 63 far 0 94 0 - 8.9-12.9 HB3 LYS 52 - HG2 GLU 63 far 0 94 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 8402 from cnoeabs.peaks (0.90, 3.99, 55.13 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 67 + HA ALA 64 OK 100 100 100 100 3.4-3.6 8435=98, 2.1/1998=79...(15) QG1 VAL 69 - HA ALA 64 far 0 100 0 - 6.4-6.5 QG1 VAL 103 - HA ALA 93 far 0 40 0 - 8.6-10.1 QG2 VAL 103 - HA ALA 93 far 0 53 0 - 9.2-10.6 QD1 LEU 51 - HA ALA 64 far 0 61 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 8403 from cnoeabs.peaks (0.81, 3.99, 55.13 ppm; 3.31 A): 0 out of 7 assignments used, quality = 0.00: QD1 ILE 67 - HA ALA 64 far 0 100 0 - 4.1-4.5 QG2 VAL 69 - HA ALA 64 far 0 82 0 - 6.0-6.1 QG2 ILE 90 - HA ALA 93 far 0 39 0 - 8.2-8.4 QD1 LEU 109 - HA ALA 93 far 0 29 0 - 8.5-16.1 HB3 LEU 55 - HA ALA 64 far 0 63 0 - 9.2-9.5 QG1 VAL 6 - HA ALA 64 far 0 63 0 - 9.4-13.2 QD2 LEU 36 - HA ALA 64 far 0 96 0 - 9.7-9.8 Violated in 20 structures by 0.97 A. Peak 8406 from cnoeabs.peaks (1.80, 1.38, 18.12 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.99: HB ILE 67 + QB ALA 64 OK 99 99 100 100 3.7-3.8 9757=98, 1998/2.1=88...(17) Violated in 0 structures by 0.00 A. Peak 8407 from cnoeabs.peaks (0.81, 1.38, 18.12 ppm; 3.70 A): 0 out of 8 assignments used, quality = 0.00: QD1 ILE 67 - QB ALA 64 far 0 100 0 - 5.1-5.4 QG2 VAL 69 - QB ALA 64 far 0 82 0 - 6.0-6.1 QG1 VAL 6 - QB ALA 64 far 0 63 0 - 6.5-10.1 QG2 VAL 6 - QB ALA 64 far 0 73 0 - 8.0-10.4 QD2 LEU 36 - QB ALA 64 far 0 96 0 - 8.3-8.5 HB3 LEU 55 - QB ALA 64 far 0 63 0 - 8.5-8.9 QG2 ILE 28 - QB ALA 64 far 0 87 0 - 9.1-9.3 QD1 LEU 12 - QB ALA 64 far 0 57 0 - 9.6-9.8 Violated in 20 structures by 1.13 A. Peak 8408 from cnoeabs.peaks (1.58, 3.99, 55.13 ppm; 3.62 A): 1 out of 5 assignments used, quality = 0.95: HG13 ILE 67 + HA ALA 64 OK 95 95 100 100 2.8-3.2 11216=67, 3.0/1998=63...(17) QB ALA 62 - HA ALA 64 far 0 100 0 - 5.0-5.1 HB2 ARG 66 - HA ALA 64 far 0 99 0 - 7.1-7.3 HB2 LEU 70 - HA ALA 64 far 0 85 0 - 8.9-9.1 HB2 LEU 55 - HA ALA 64 far 0 88 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 8409 from cnoeabs.peaks (1.57, 1.38, 18.12 ppm; 3.28 A increased from 3.08 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 62 + QB ALA 64 OK 99 100 100 100 3.1-3.3 8392=90, 8412/6844=62...(10) HG13 ILE 67 - QB ALA 64 far 0 79 0 - 4.2-4.5 HB2 ARG 66 - QB ALA 64 far 0 92 0 - 7.2-7.4 HB2 LEU 55 - QB ALA 64 far 0 68 0 - 8.8-9.3 HB2 LEU 70 - QB ALA 64 far 0 63 0 - 9.3-9.4 Violated in 1 structures by 0.00 A. Peak 8414 from cnoeabs.peaks (1.12, 2.46, 41.26 ppm; 3.19 A): 4 out of 14 assignments used, quality = 0.96: HD3 LYS 98 + HE3 LYS 98 OK 71 71 100 100 2.3-3.0 3.0=100 HD3 LYS 98 + HE2 LYS 98 OK 69 69 100 100 2.3-3.0 3.0=100 HG3 LYS 13 + HE3 LYS 13 OK 39 53 85 88 2.4-4.2 3.9=54, ~321=22, ~320=20...(11) HG2 LYS 13 + HE3 LYS 13 OK 23 53 50 88 2.5-4.2 3.9=54, ~321=22, ~320=20...(12) HG3 ARG 66 - HB2 ASP 65 far 5 98 5 - 3.7-6.8 HB2 LYS 98 - HE3 LYS 98 far 3 51 5 - 2.8-5.5 HB2 LYS 98 - HE2 LYS 98 far 2 49 5 - 2.2-5.4 QG2 THR 8 - HB2 ASP 65 far 0 68 0 - 5.9-6.2 QD1 LEU 36 - HB2 ASP 65 far 0 75 0 - 6.7-7.5 HB VAL 14 - HE3 LYS 13 far 0 77 0 - 7.1-9.3 QG2 THR 5 - HB2 ASP 65 far 0 96 0 - 9.0-12.7 HG LEU 51 - HB2 ASP 65 far 0 99 0 - 9.1-10.5 QD1 LEU 36 - HE3 LYS 13 far 0 51 0 - 9.2-11.2 HB2 LEU 51 - HE3 LYS 13 far 0 71 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 8415 from cnoeabs.peaks (0.90, 2.46, 41.26 ppm; 3.35 A): 3 out of 10 assignments used, quality = 0.78: HD2 LYS 98 + HE3 LYS 98 OK 41 41 100 100 2.2-3.0 3.0=100 HD2 LYS 98 + HE2 LYS 98 OK 40 40 100 100 2.4-3.0 3.0=100 QG1 VAL 103 + HE3 LYS 13 OK 38 51 85 88 2.1-4.1 10832/1.8=39, 10833=23...(16) QG1 VAL 69 - HB2 ASP 65 far 0 99 0 - 4.1-4.7 QG2 VAL 103 - HE3 LYS 13 far 0 76 0 - 4.1-6.1 QG1 VAL 76 - HE3 LYS 98 far 0 36 0 - 6.4-8.5 QG1 VAL 76 - HE2 LYS 98 far 0 34 0 - 6.7-8.6 QG2 ILE 67 - HB2 ASP 65 far 0 100 0 - 7.9-8.2 QG1 VAL 69 - HE3 LYS 13 far 0 75 0 - 8.8-10.2 QG1 VAL 76 - HE3 LYS 13 far 0 39 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 8416 from cnoeabs.peaks (0.33, 2.46, 41.26 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 61 + HB2 ASP 65 OK 100 100 100 100 2.7-4.1 8372=100, 8373/1.8=85...(12) QD2 LEU 55 - HB2 ASP 65 far 0 100 0 - 5.0-6.3 QD2 LEU 55 - HE3 LYS 13 far 0 77 0 - 8.9-10.9 HB2 LYS 58 - HB2 ASP 65 far 0 96 0 - 8.9-9.8 Violated in 1 structures by 0.01 A. Peak 8419 from cnoeabs.peaks (0.89, 3.46, 59.73 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 69 + HA ARG 66 OK 100 100 100 100 3.4-3.6 8454=100, 2.1/8455=69...(10) QD1 LEU 51 - HA ARG 66 far 0 70 0 - 4.4-4.7 QG2 ILE 67 - HA ARG 66 far 0 99 0 - 6.1-6.1 Violated in 0 structures by 0.00 A. Peak 8420 from cnoeabs.peaks (0.78, 3.46, 59.73 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 69 + HA ARG 66 OK 100 100 100 100 1.9-2.0 8455=100, 2.1/8454=77...(16) HB3 LEU 55 + HA ARG 66 OK 96 98 100 98 3.9-4.2 3.1/9495=34, 1673/3.0=30...(25) QD1 ILE 67 - HA ARG 66 far 14 93 15 - 4.3-4.7 QD2 LEU 36 - HA ARG 66 far 0 99 0 - 5.1-5.4 HG2 LYS 52 - HA ARG 66 far 0 99 0 - 6.1-8.7 QD1 ILE 11 - HA ARG 66 far 0 96 0 - 8.2-9.8 QD1 ILE 23 - HA ARG 66 far 0 81 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 8421 from cnoeabs.peaks (0.43, 3.46, 59.73 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HA ARG 66 OK 100 100 100 100 1.9-2.0 9495=56, 8451/8454=52...(30) QD1 LEU 70 + HA ARG 66 OK 93 99 100 94 3.4-3.9 9495=44, 8470/3.8=22...(16) Violated in 0 structures by 0.00 A. Peak 8422 from cnoeabs.peaks (0.33, 3.46, 59.73 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 61 + HA ARG 66 OK 98 99 100 100 3.7-4.1 9624=91, 8418/3.0=67...(14) QD2 LEU 55 + HA ARG 66 OK 98 100 100 98 4.2-4.4 2.1/9495=44, 9496=36...(24) HB2 LYS 58 - HA ARG 66 far 0 87 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8423 from cnoeabs.peaks (7.01, 2.46, 41.26 ppm; 3.91 A): 3 out of 5 assignments used, quality = 0.82: QD PHE 10 + HB2 ASP 65 OK 68 73 100 93 2.3-2.8 2.2/8424=56...(10) QE PHE 99 + HE3 LYS 98 OK 26 37 90 79 2.6-5.5 ~10148=32, ~10161=15...(14) QE PHE 99 + HE2 LYS 98 OK 24 36 85 80 3.0-5.9 ~10148=32, ~10161=15...(14) H ILE 61 - HB2 ASP 65 far 0 61 0 - 7.2-7.7 H LYS 58 - HB2 ASP 65 far 0 100 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 8424 from cnoeabs.peaks (7.28, 2.46, 41.26 ppm; 3.79 A): 2 out of 16 assignments used, quality = 0.83: QE PHE 10 + HB2 ASP 65 OK 79 85 100 92 2.7-3.3 8383/8372=43...(10) QE PHE 79 + HE2 LYS 98 OK 22 45 80 60 3.3-5.4 ~10701=18, ~10700=13...(10) HZ PHE 79 - HE2 LYS 98 poor 18 52 35 - 3.1-6.4 QE PHE 79 - HE3 LYS 98 poor 16 47 35 - 3.4-5.8 QD PHE 99 - HE3 LYS 98 far 8 53 15 - 4.0-6.1 HZ PHE 79 - HE3 LYS 98 far 3 53 5 - 3.4-7.0 QD PHE 99 - HE2 LYS 98 far 3 52 5 - 4.1-5.9 H PHE 99 - HE2 LYS 98 far 0 61 0 - 5.1-6.7 H PHE 99 - HE3 LYS 98 far 0 63 0 - 5.8-6.6 HH2 TRP 60 - HB2 ASP 65 far 0 95 0 - 6.5-7.1 HE3 TRP 60 - HB2 ASP 65 far 0 85 0 - 6.9-7.3 HE22 GLN 86 - HE2 LYS 98 far 0 70 0 - 7.2-9.7 HE22 GLN 86 - HE3 LYS 98 far 0 72 0 - 7.4-9.7 QE PHE 104 - HE2 LYS 98 far 0 38 0 - 7.5-8.9 QE PHE 104 - HE3 LYS 98 far 0 40 0 - 7.6-9.0 QE PHE 104 - HE3 LYS 13 far 0 44 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 8426 from cnoeabs.peaks (0.41, 3.56, 64.10 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 70 + HA ILE 67 OK 99 99 100 100 2.3-2.6 9827=91, 8429/2133=52...(13) QD1 LEU 55 - HA ILE 67 far 0 95 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. Peak 8427 from cnoeabs.peaks (1.37, 0.90, 17.00 ppm; 4.48 A increased from 3.98 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 64 + QG2 ILE 67 OK 100 100 100 100 4.3-4.5 2.1/8435=90, 9757/2.1=82...(16) HB3 LYS 52 - QG2 ILE 67 far 0 87 0 - 7.1-9.5 Violated in 3 structures by 0.00 A. Peak 8428 from cnoeabs.peaks (1.13, 0.80, 12.36 ppm; 3.51 A): 1 out of 5 assignments used, quality = 0.83: HG3 ARG 66 + QD1 ILE 67 OK 83 100 85 98 2.0-4.3 1.8/11166=84...(11) HD3 LYS 52 - QD1 ILE 67 far 0 73 0 - 5.6-6.9 HG LEU 51 - QD1 ILE 67 far 0 96 0 - 6.7-7.0 HB2 LEU 51 - QD1 ILE 67 far 0 90 0 - 8.5-9.5 QD1 LEU 36 - QD1 ILE 67 far 0 87 0 - 9.8-10.1 Violated in 3 structures by 0.11 A. Peak 8429 from cnoeabs.peaks (0.41, 0.80, 12.36 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 70 + QD1 ILE 67 OK 98 99 100 99 2.5-2.6 8426/2133=51...(20) QD1 LEU 55 - QD1 ILE 67 far 0 95 0 - 4.7-5.1 Violated in 0 structures by 0.00 A. Peak 8431 from cnoeabs.peaks (1.39, 0.80, 12.36 ppm; 3.33 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 64 - QD1 ILE 67 far 0 99 0 - 5.1-5.4 HB3 LYS 52 - QD1 ILE 67 far 0 99 0 - 5.1-7.2 HD3 LYS 58 - QD1 ILE 67 far 0 85 0 - 9.7-10.7 Violated in 20 structures by 1.65 A. Peak 8432 from cnoeabs.peaks (1.93, 0.80, 12.36 ppm; 3.74 A increased from 3.52 A): 1 out of 6 assignments used, quality = 0.94: HB3 LEU 70 + QD1 ILE 67 OK 94 97 100 97 3.6-3.7 3.1/8429=61...(9) HB3 GLU 63 - QD1 ILE 67 far 0 99 0 - 4.6-5.1 HG3 GLU 56 - QD1 ILE 67 far 0 65 0 - 4.9-6.2 HB2 GLU 56 - QD1 ILE 67 far 0 91 0 - 7.1-7.8 HB VAL 69 - QD1 ILE 67 far 0 63 0 - 7.3-7.5 HB2 GLU 54 - QD1 ILE 67 far 0 90 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 8433 from cnoeabs.peaks (2.18, 0.80, 12.36 ppm; 3.40 A increased from 2.72 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 63 + QD1 ILE 67 OK 100 100 100 100 3.1-3.4 8395=57, 8399/3.2=45...(22) HG3 GLU 63 + QD1 ILE 67 OK 75 100 75 100 2.4-4.3 8395=43, 1.8/8395=41...(23) HB3 GLU 54 - QD1 ILE 67 far 0 70 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 8434 from cnoeabs.peaks (2.99, 0.90, 17.00 ppm; 4.66 A increased from 4.14 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 68 + QG2 ILE 67 OK 95 96 100 100 4.6-4.8 3.0/8436=79, 3.8/6896=74...(7) HB2 ASN 68 + QG2 ILE 67 OK 95 96 100 99 4.5-4.6 3.0/8436=79, 3.8/6896=74...(6) Violated in 0 structures by 0.00 A. Peak 8435 from cnoeabs.peaks (3.98, 0.90, 17.00 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.99: HA ALA 64 + QG2 ILE 67 OK 99 99 100 100 3.4-3.6 8402=97, 1998/2.1=77...(15) HA LEU 70 - QG2 ILE 67 far 0 75 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 8436 from cnoeabs.peaks (4.53, 0.90, 17.00 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.96: HA ASN 68 + QG2 ILE 67 OK 96 96 100 100 3.3-3.5 9763=76, 3.0/6896=65...(20) HA ASP 65 - QG2 ILE 67 far 0 90 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 8437 from cnoeabs.peaks (6.80, 0.90, 17.00 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 71 + QG2 ILE 67 OK 100 100 100 100 2.0-2.3 8472=95, 1.7/8440=63...(9) Violated in 0 structures by 0.00 A. Peak 8438 from cnoeabs.peaks (3.99, 1.25, 28.69 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: HA ALA 64 + HG12 ILE 67 OK 100 100 100 100 3.8-4.0 9687=98, 8408/1.8=89...(17) Violated in 0 structures by 0.00 A. Peak 8439 from cnoeabs.peaks (3.99, 0.80, 12.36 ppm; 3.12 A): 0 out of 1 assignment used, quality = 0.00: HA ALA 64 - QD1 ILE 67 far 0 100 0 - 4.1-4.5 Violated in 20 structures by 1.29 A. Peak 8440 from cnoeabs.peaks (7.79, 0.90, 17.00 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 71 + QG2 ILE 67 OK 100 100 100 100 2.2-2.4 8475=93, 1.7/8437=78...(10) H GLN 72 - QG2 ILE 67 far 0 90 0 - 5.8-5.9 Violated in 0 structures by 0.00 A. Peak 8441 from cnoeabs.peaks (8.84, 0.80, 12.36 ppm; 5.32 A increased from 4.48 A): 1 out of 1 assignment used, quality = 1.00: H ALA 64 + QD1 ILE 67 OK 100 100 100 100 4.8-5.3 9682=90, 3.6/9750=83...(19) Violated in 0 structures by 0.00 A. Peak 8442 from cnoeabs.peaks (8.54, 3.00, 38.47 ppm; 4.54 A increased from 4.27 A): 1 out of 3 assignments used, quality = 1.00: H ILE 67 + HB3 ASN 68 OK 100 100 100 100 4.4-4.6 9743=96, 6893/3.8=73...(9) H ILE 67 - HB2 ASN 68 far 0 100 0 - 5.7-5.8 H ILE 28 - HB3 ASN 68 far 0 87 0 - 9.7-10.0 Violated in 3 structures by 0.01 A. Peak 8443 from cnoeabs.peaks (0.91, 3.00, 38.47 ppm; 3.80 A increased from 3.57 A): 1 out of 6 assignments used, quality = 0.96: QG1 VAL 69 + HB3 ASN 68 OK 96 96 100 100 3.6-3.7 9804=93, 2188/6926=72...(11) QG2 ILE 67 - HB2 ASN 68 far 0 99 0 - 4.5-4.6 QG2 ILE 67 - HB3 ASN 68 far 0 99 0 - 4.6-4.8 QG1 VAL 69 - HB2 ASN 68 far 0 96 0 - 4.8-4.8 QG2 VAL 103 - HB3 ASN 68 far 0 98 0 - 9.7-10.8 QG2 VAL 103 - HB2 ASN 68 far 0 98 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 8444 from cnoeabs.peaks (0.79, 3.00, 38.47 ppm; 4.39 A increased from 4.13 A): 1 out of 10 assignments used, quality = 0.98: QG2 VAL 69 + HB3 ASN 68 OK 98 98 100 100 4.3-4.4 9805=91, 2.1/8443=86...(13) QG2 VAL 69 - HB2 ASN 68 far 0 98 0 - 5.5-5.6 QD1 ILE 67 - HB3 ASN 68 far 0 99 0 - 5.9-6.1 QD1 ILE 67 - HB2 ASN 68 far 0 99 0 - 6.6-6.8 QD2 LEU 36 - HB3 ASN 68 far 0 100 0 - 8.5-8.7 QD1 ILE 11 - HB3 ASN 68 far 0 85 0 - 8.8-9.5 HB3 LEU 55 - HB3 ASN 68 far 0 90 0 - 9.2-9.5 QD1 ILE 11 - HB2 ASN 68 far 0 85 0 - 9.7-10.2 QG2 ILE 28 - HB3 ASN 68 far 0 99 0 - 9.8-10.0 QD2 LEU 36 - HB2 ASN 68 far 0 100 0 - 9.9-10.1 Violated in 3 structures by 0.00 A. Peak 8445 from cnoeabs.peaks (2.64, 3.00, 38.47 ppm; 4.56 A): 0 out of 6 assignments used, quality = 0.00: HG3 GLN 72 - HB2 ASN 68 far 0 99 0 - 5.9-6.3 HG3 GLN 72 - HB3 ASN 68 far 0 99 0 - 6.0-6.4 HB3 ASP 65 - HB3 ASN 68 far 0 99 0 - 6.1-6.2 HB3 PHE 10 - HB3 ASN 68 far 0 96 0 - 6.9-7.1 HB3 ASP 65 - HB2 ASN 68 far 0 99 0 - 7.7-7.8 HB3 PHE 10 - HB2 ASN 68 far 0 96 0 - 8.4-8.6 Violated in 20 structures by 0.32 A. Peak 8449 from cnoeabs.peaks (1.52, 0.78, 22.09 ppm; 4.42 A increased from 3.54 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 73 + QG2 VAL 69 OK 100 100 100 100 4.2-4.3 8495/11169=84...(13) HG LEU 12 - QG2 VAL 69 far 0 100 0 - 6.1-6.5 HB3 LYS 58 - QG2 VAL 69 far 0 79 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 8450 from cnoeabs.peaks (0.45, 0.78, 22.09 ppm; 2.63 A): 2 out of 4 assignments used, quality = 0.93: QD1 LEU 55 + QG2 VAL 69 OK 82 96 100 86 1.8-1.9 8451/2.1=39...(19) QD2 LEU 51 + QG2 VAL 69 OK 63 77 100 82 2.3-2.9 9401=35, 2.1/10474=29...(11) QD1 LEU 70 - QG2 VAL 69 far 13 85 15 - 3.2-3.4 HB2 LYS 52 - QG2 VAL 69 far 0 84 0 - 5.3-7.2 Violated in 0 structures by 0.00 A. Peak 8451 from cnoeabs.peaks (0.43, 0.89, 22.09 ppm; 3.20 A increased from 2.84 A): 1 out of 2 assignments used, quality = 0.92: QD1 LEU 55 + QG1 VAL 69 OK 92 100 100 92 3.0-3.2 10472/2.1=47...(12) QD1 LEU 70 - QG1 VAL 69 far 0 99 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. Peak 8452 from cnoeabs.peaks (2.65, 0.89, 22.09 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: HB3 PHE 10 + QG1 VAL 69 OK 99 100 100 100 2.3-2.6 8718=77, 1.8/8453=67...(17) HG3 GLN 72 - QG1 VAL 69 far 0 91 0 - 4.3-4.5 HB3 ASP 65 - QG1 VAL 69 far 0 100 0 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 8453 from cnoeabs.peaks (2.81, 0.89, 22.09 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.97: HB2 PHE 10 + QG1 VAL 69 OK 97 98 100 99 2.4-2.6 1.8/8452=75, 9806/2.1=47...(19) HD2 ARG 66 - QG1 VAL 69 far 0 98 0 - 6.8-7.8 HE3 LYS 52 - QG1 VAL 69 far 0 100 0 - 8.9-10.9 HB2 TRP 48 - QG1 VAL 69 far 0 87 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8454 from cnoeabs.peaks (3.46, 0.89, 22.09 ppm; 3.57 A increased from 3.36 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 66 + QG1 VAL 69 OK 100 100 100 100 3.4-3.6 8419=95, 8455/2.1=67...(10) HA LEU 51 - QG1 VAL 69 far 0 98 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 8455 from cnoeabs.peaks (3.46, 0.78, 22.09 ppm; 3.59 A): 1 out of 3 assignments used, quality = 0.98: HA ARG 66 + QG2 VAL 69 OK 98 100 100 98 1.9-2.0 8454/2.1=68, 2175/2.1=41...(16) HA LEU 51 - QG2 VAL 69 far 0 97 0 - 5.9-6.3 HA GLN 49 - QG2 VAL 69 far 0 100 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 8456 from cnoeabs.peaks (2.62, 3.86, 65.82 ppm; 4.54 A): 1 out of 4 assignments used, quality = 0.97: HG3 GLN 72 + HA VAL 69 OK 97 97 100 100 2.3-2.5 9873=97, 1.8/2174=96...(12) HB3 PHE 10 - HA VAL 69 far 0 57 0 - 6.0-6.3 HG3 GLU 75 - HA VAL 69 far 0 75 0 - 8.2-9.6 HB3 ASP 65 - HA VAL 69 far 0 71 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 8459 from cnoeabs.peaks (7.04, 0.89, 22.09 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: QD PHE 10 + QG1 VAL 69 OK 93 100 95 98 3.6-3.9 2.5/8452=58, 2.5/8453=56...(16) HD21 ASN 68 + QG1 VAL 69 OK 93 97 100 96 2.3-2.5 8447=41, 3.5/9804=37...(12) HE22 GLN 72 - QG1 VAL 69 far 0 92 0 - 4.8-4.9 QE PHE 40 - QG1 VAL 69 far 0 85 0 - 7.4-8.5 HH2 TRP 48 - QG1 VAL 69 far 0 65 0 - 10.0-10.6 H LYS 58 - QG1 VAL 69 far 0 77 0 - 10.0-10.1 Violated in 0 structures by 0.00 A. Peak 8460 from cnoeabs.peaks (6.96, 0.78, 22.09 ppm; 4.41 A): 0 out of 4 assignments used, quality = 0.00: HE21 GLN 72 - QG2 VAL 69 far 0 100 0 - 5.6-5.9 H ALA 57 - QG2 VAL 69 far 0 91 0 - 8.4-8.5 HZ3 TRP 48 - QG2 VAL 69 far 0 94 0 - 8.5-9.1 H ILE 61 - QG2 VAL 69 far 0 96 0 - 8.9-9.2 Violated in 20 structures by 1.16 A. Peak 8461 from cnoeabs.peaks (8.94, 0.78, 22.09 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: H ASN 71 + QG2 VAL 69 OK 100 100 100 100 4.0-4.1 6959/6944=71...(14) H ILE 11 - QG2 VAL 69 far 0 81 0 - 4.9-5.2 H ALA 24 - QG2 VAL 69 far 0 92 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 8462 from cnoeabs.peaks (6.95, 3.86, 65.82 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 72 + HA VAL 69 OK 100 100 100 100 3.3-3.5 9874=100, 1.7/9876=96...(11) Violated in 0 structures by 0.00 A. Peak 8463 from cnoeabs.peaks (3.57, -0.14, 20.06 ppm; 4.14 A): 1 out of 4 assignments used, quality = 0.98: HA TRP 48 + QD2 LEU 70 OK 98 98 100 100 3.2-3.6 9320/9410=60, 9328=57...(17) HA ILE 67 - QD2 LEU 70 far 0 100 0 - 4.9-5.0 HA THR 74 - QD2 LEU 70 far 0 87 0 - 5.9-6.2 HA GLU 56 - QD2 LEU 70 far 0 87 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 8464 from cnoeabs.peaks (3.15, -0.14, 20.06 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: HA LYS 52 + QD2 LEU 70 OK 100 100 100 100 2.4-3.1 8330=84, 3.0/8327=50...(22) HB3 ASP 46 - QD2 LEU 70 far 0 98 0 - 7.4-7.7 HB3 TRP 42 - QD2 LEU 70 far 0 97 0 - 9.1-9.5 HB2 TRP 42 - QD2 LEU 70 far 0 97 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 8466 from cnoeabs.peaks (0.48, 3.95, 57.67 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 51 + HA LEU 70 OK 100 100 100 100 2.6-2.8 10425=87, 9410/2231=78...(11) HB2 LYS 52 - HA LEU 70 far 0 99 0 - 6.2-8.3 QG2 VAL 14 - HA LEU 70 far 0 94 0 - 7.1-7.4 HG12 ILE 77 - HA LEU 70 far 0 96 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 8467 from cnoeabs.peaks (0.80, 1.95, 40.19 ppm; 4.02 A): 3 out of 8 assignments used, quality = 1.00: QD1 ILE 67 + HB3 LEU 70 OK 100 100 100 100 3.6-3.7 8432=97, 8429/3.1=69...(9) QG2 VAL 69 + HB3 LEU 70 OK 86 87 100 100 3.5-3.6 6944/6948=62...(13) QG2 ILE 90 + HB ILE 90 OK 39 39 100 100 2.1-2.1 2.1=100 HG2 LYS 52 - HB3 LEU 70 far 0 99 0 - 4.7-7.6 HB3 LEU 55 - HB3 LEU 70 far 0 70 0 - 8.2-8.6 QG2 VAL 102 - HB3 LEU 70 far 0 65 0 - 8.7-9.0 QG2 ILE 23 - HB3 LEU 70 far 0 100 0 - 8.9-9.1 QD2 LEU 36 - HB3 LEU 70 far 0 98 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 8468 from cnoeabs.peaks (0.84, -0.14, 20.06 ppm; 3.45 A increased from 3.25 A): 2 out of 8 assignments used, quality = 0.98: QD1 LEU 51 + QD2 LEU 70 OK 94 94 100 100 3.2-3.4 2.1/9410=77, 2.1/8469=54...(16) QG2 VAL 25 + QD2 LEU 70 OK 64 99 90 72 3.7-4.1 10321/2.1=22...(9) QD1 LEU 12 - QD2 LEU 70 far 5 100 5 - 4.0-4.4 QD1 ILE 67 - QD2 LEU 70 far 0 61 0 - 4.8-4.9 QG2 ILE 23 - QD2 LEU 70 far 0 65 0 - 5.9-6.1 QG2 VAL 102 - QD2 LEU 70 far 0 100 0 - 7.5-7.9 QG2 ILE 11 - QD2 LEU 70 far 0 98 0 - 8.8-9.1 QG1 VAL 103 - QD2 LEU 70 far 0 73 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 8469 from cnoeabs.peaks (1.11, -0.14, 20.06 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: HG LEU 51 + QD2 LEU 70 OK 100 100 100 100 1.8-1.9 2.1/9410=71...(17) HB2 LEU 51 + QD2 LEU 70 OK 30 100 30 99 2.9-4.0 3.1/9410=53...(15) HG3 ARG 66 - QD2 LEU 70 far 0 91 0 - 5.9-6.9 QD1 LEU 36 - QD2 LEU 70 far 0 59 0 - 8.6-8.9 HG2 LYS 13 - QD2 LEU 70 far 0 61 0 - 9.5-11.3 HG3 LYS 13 - QD2 LEU 70 far 0 61 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 8470 from cnoeabs.peaks (1.29, 0.42, 25.38 ppm; 3.70 A): 2 out of 10 assignments used, quality = 0.98: HG2 ARG 66 + QD1 LEU 70 OK 87 100 90 97 2.0-4.5 11166/8429=57, 9710=47...(13) HG2 ARG 66 + QD1 LEU 55 OK 84 84 100 99 3.6-4.2 9710=53, 1.8/9712=36...(30) HG12 ILE 67 - QD1 LEU 70 far 0 61 0 - 5.0-5.2 HB ILE 61 - QD1 LEU 55 far 0 80 0 - 5.0-5.4 HG2 LYS 58 - QD1 LEU 55 far 0 84 0 - 7.2-7.4 HB ILE 61 - QD1 LEU 70 far 0 98 0 - 7.4-7.8 HG12 ILE 67 - QD1 LEU 55 far 0 46 0 - 7.5-7.7 HG12 ILE 28 - QD1 LEU 55 far 0 77 0 - 8.0-8.6 HB2 LYS 13 - QD1 LEU 55 far 0 70 0 - 8.9-10.4 HG2 LYS 58 - QD1 LEU 70 far 0 100 0 - 9.9-10.3 Violated in 3 structures by 0.01 A. Peak 8471 from cnoeabs.peaks (0.83, 0.42, 25.38 ppm; 2.80 A): 3 out of 17 assignments used, quality = 0.94: QD1 ILE 67 + QD1 LEU 70 OK 63 71 100 88 2.5-2.6 8429=39, 2133/8426=24...(12) QD1 LEU 51 + QD1 LEU 55 OK 61 69 100 88 2.1-2.4 8071/2.1=58...(13) QG2 VAL 25 + QD1 LEU 55 OK 57 80 100 72 2.2-2.8 ~8150=18, ~8947=17...(16) QD1 LEU 51 - QD1 LEU 70 far 0 88 0 - 4.2-4.4 QD1 ILE 67 - QD1 LEU 55 far 0 54 0 - 4.7-5.1 QG2 VAL 25 - QD1 LEU 70 far 0 98 0 - 4.9-5.1 QD1 LEU 12 - QD1 LEU 55 far 0 81 0 - 4.9-5.4 QD1 LEU 12 - QD1 LEU 70 far 0 98 0 - 5.7-6.1 QG2 ILE 11 - QD1 LEU 55 far 0 76 0 - 7.0-7.4 QG2 ILE 23 - QD1 LEU 70 far 0 75 0 - 8.0-8.2 QG2 ILE 23 - QD1 LEU 55 far 0 57 0 - 8.1-8.4 QG2 VAL 6 - QD1 LEU 55 far 0 85 0 - 8.3-10.5 QG1 VAL 6 - QD1 LEU 55 far 0 83 0 - 8.4-10.4 QG1 VAL 103 - QD1 LEU 55 far 0 47 0 - 8.5-10.1 QG2 VAL 102 - QD1 LEU 55 far 0 84 0 - 8.5-8.8 QG2 VAL 102 - QD1 LEU 70 far 0 100 0 - 8.8-9.1 QG2 ILE 11 - QD1 LEU 70 far 0 95 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 8476 from cnoeabs.peaks (0.62, 2.28, 29.27 ppm; 3.99 A increased from 3.75 A): 1 out of 8 assignments used, quality = 0.99: QD2 LEU 12 + HB3 GLN 72 OK 99 99 100 100 3.7-3.8 8075/1.8=87, 9880/3.0=59...(25) QD2 LEU 12 - HB2 GLU 75 far 0 85 0 - 5.1-5.3 QD2 LEU 12 - HB3 GLU 75 far 0 85 0 - 6.5-6.7 QD1 ILE 77 - HB2 GLU 75 far 0 58 0 - 7.1-7.3 QD1 ILE 77 - HB3 GLU 75 far 0 58 0 - 8.0-8.1 QD1 ILE 77 - HB3 GLN 72 far 0 73 0 - 8.8-9.0 QD1 LEU 83 - HB3 GLU 75 far 0 80 0 - 9.2-10.3 QD1 LEU 83 - HB2 GLU 75 far 0 80 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 8478 from cnoeabs.peaks (6.69, 1.52, 17.64 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.99: HD1 TRP 48 + QB ALA 73 OK 99 99 100 99 1.7-1.9 9323=78, 2.6/9345=51...(15) Violated in 0 structures by 0.00 A. Peak 8482 from cnoeabs.peaks (6.73, 0.96, 21.66 ppm; 2.95 A): 1 out of 6 assignments used, quality = 0.93: HD22 ASN 78 + QG2 THR 74 OK 93 96 100 97 2.6-3.0 8473=81, 1.7/8515=58...(9) HD1 TRP 48 - QG2 THR 74 far 0 81 0 - 5.0-5.4 HD1 TRP 48 - QG1 VAL 76 far 0 67 0 - 7.1-7.3 HD22 ASN 78 - QG1 VAL 76 far 0 84 0 - 8.2-8.4 HD1 TRP 48 - QG1 VAL 14 far 0 37 0 - 8.6-9.1 HE21 GLN 86 - QG1 VAL 76 far 0 62 0 - 9.9-10.6 Violated in 4 structures by 0.00 A. Peak 8483 from cnoeabs.peaks (7.68, 0.96, 21.66 ppm; 3.54 A): 3 out of 11 assignments used, quality = 0.93: QD PHE 79 + QG1 VAL 76 OK 72 90 85 95 3.4-4.6 9920/3.2=40...(16) HE3 TRP 16 + QG1 VAL 76 OK 53 90 75 78 3.8-4.2 2.5/9915=52, 8839=23...(10) HE3 TRP 16 + QG1 VAL 14 OK 45 54 100 83 2.4-2.8 8816/2.1=29, 4.8/8833=28...(10) QD PHE 79 - QG1 VAL 14 far 0 53 0 - 5.2-6.3 QD PHE 79 - QG2 THR 74 far 0 100 0 - 7.8-8.2 H GLU 94 - QG1 VAL 14 far 0 29 0 - 8.3-9.6 H LYS 84 - QG1 VAL 76 far 0 73 0 - 8.9-9.4 H GLU 94 - QG1 VAL 76 far 0 53 0 - 9.2-10.2 H TYR 39 - QG1 VAL 14 far 0 36 0 - 9.2-10.0 H VAL 69 - QG2 THR 74 far 0 100 0 - 9.2-9.3 H LYS 84 - QG1 VAL 14 far 0 41 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 8486 from cnoeabs.peaks (8.37, 4.23, 68.56 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.97: H ALA 73 + HB THR 74 OK 97 97 100 100 4.4-4.5 7036/7047=83...(9) H ILE 77 - HB THR 74 far 0 92 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 8489 from cnoeabs.peaks (0.82, 3.81, 55.20 ppm; 3.56 A): 3 out of 7 assignments used, quality = 1.00: QG2 VAL 102 + HA ALA 73 OK 93 96 100 97 3.5-3.9 10711=59, 10212/8078=58...(12) QG2 ILE 23 + HA ALA 73 OK 88 92 100 96 3.5-3.7 8912=63, 625/8919=43...(10) QD1 LEU 12 + HA ALA 73 OK 88 88 100 100 2.5-3.0 2.1/8078=78, 8069=76...(19) QG2 VAL 25 - HA ALA 73 far 0 87 0 - 5.6-6.0 QD1 LEU 51 - HA ALA 73 far 0 70 0 - 6.9-7.3 QG2 ILE 11 - HA ALA 73 far 0 81 0 - 8.3-8.4 HG2 LYS 52 - HA ALA 73 far 0 77 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 8490 from cnoeabs.peaks (0.61, 3.81, 55.20 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 12 + HA ALA 73 OK 96 96 100 100 2.1-2.3 8078=96, 2.1/8069=50...(24) QD1 ILE 77 - HA ALA 73 far 0 84 0 - 4.1-4.3 Violated in 0 structures by 0.00 A. Peak 8491 from cnoeabs.peaks (0.49, 3.81, 55.20 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 14 + HA ALA 73 OK 98 99 100 100 3.4-3.7 10854/9960=77...(9) QD2 LEU 51 + HA ALA 73 OK 96 96 100 99 4.6-5.0 8495/2.1=88...(5) HG12 ILE 77 - HA ALA 73 far 0 99 0 - 5.6-6.0 HG3 LYS 98 - HA ALA 73 far 0 95 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 8492 from cnoeabs.peaks (0.82, 1.52, 17.64 ppm; 2.90 A): 2 out of 10 assignments used, quality = 0.98: QD1 LEU 12 + QB ALA 73 OK 89 91 100 99 1.7-1.7 229=44, 8069/2.1=37...(27) QG2 ILE 23 + QB ALA 73 OK 78 90 100 87 2.9-3.0 8931=42, 625/8057=35...(10) QG2 VAL 25 - QB ALA 73 far 0 90 0 - 3.6-4.0 QG2 VAL 102 - QB ALA 73 far 0 97 0 - 4.4-4.7 QD1 LEU 51 - QB ALA 73 far 0 73 0 - 4.4-4.7 HG2 LYS 52 - QB ALA 73 far 0 73 0 - 5.8-7.9 QG2 ILE 11 - QB ALA 73 far 0 84 0 - 7.1-7.3 QD1 ILE 67 - QB ALA 73 far 0 87 0 - 7.2-7.3 QD2 LEU 36 - QB ALA 73 far 0 68 0 - 8.1-8.4 QD1 LEU 17 - QB ALA 73 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 8493 from cnoeabs.peaks (0.77, 1.52, 17.64 ppm; 2.82 A): 2 out of 8 assignments used, quality = 0.98: QD1 ILE 23 + QB ALA 73 OK 96 98 100 98 2.2-2.3 8057=67, 8144/8495=45...(15) QG2 ILE 23 + QB ALA 73 OK 50 63 100 79 2.9-3.0 8931=28, 3.3/8057=28...(10) QG2 VAL 69 - QB ALA 73 far 0 98 0 - 4.2-4.3 HG2 LYS 52 - QB ALA 73 far 0 82 0 - 5.8-7.9 QD1 ILE 67 - QB ALA 73 far 0 68 0 - 7.2-7.3 QD2 LEU 36 - QB ALA 73 far 0 87 0 - 8.1-8.4 QD1 ILE 11 - QB ALA 73 far 0 100 0 - 8.3-9.1 HB3 LEU 55 - QB ALA 73 far 0 100 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 8494 from cnoeabs.peaks (0.61, 1.52, 17.64 ppm; 3.11 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 12 + QB ALA 73 OK 91 92 100 100 2.4-3.0 8490/2.1=61, 237=46...(25) QD1 ILE 77 + QB ALA 73 OK 83 90 100 93 2.9-3.1 10788=53, 8546/8493=38...(10) QD1 LEU 83 - QB ALA 73 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8495 from cnoeabs.peaks (0.48, 1.52, 17.64 ppm; 3.06 A): 1 out of 6 assignments used, quality = 0.95: QD2 LEU 51 + QB ALA 73 OK 95 100 100 95 2.4-2.7 9410/8496=38...(14) QG2 VAL 14 - QB ALA 73 far 0 84 0 - 3.7-4.0 HG12 ILE 77 - QB ALA 73 far 0 87 0 - 4.9-5.2 HB2 LYS 52 - QB ALA 73 far 0 100 0 - 7.1-8.6 QD2 LEU 15 - QB ALA 73 far 0 68 0 - 9.6-9.8 HG3 LYS 98 - QB ALA 73 far 0 100 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 8496 from cnoeabs.peaks (-0.14, 1.52, 17.64 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + QB ALA 73 OK 100 100 100 100 3.2-3.4 9410/8495=67...(14) Violated in 0 structures by 0.00 A. Peak 8497 from cnoeabs.peaks (0.59, 3.54, 66.69 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.98: QD1 ILE 77 + HA THR 74 OK 98 100 100 98 3.4-3.6 3.2/2338=53, 8507=49...(11) QD1 LEU 83 - HA VAL 76 far 0 77 0 - 6.1-7.2 QD1 ILE 77 - HA VAL 76 far 0 84 0 - 6.5-6.6 QD2 LEU 83 - HA VAL 76 far 0 67 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 8498 from cnoeabs.peaks (1.52, 3.54, 66.69 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 73 + HA THR 74 OK 100 100 100 100 3.7-3.7 7045/3.0=66, 4.4=64...(11) QB ALA 73 - HA VAL 76 far 0 84 0 - 6.5-6.6 HG LEU 12 - HA VAL 76 far 0 84 0 - 8.3-8.5 HG LEU 12 - HA THR 74 far 0 100 0 - 8.9-9.1 HB3 LEU 83 - HA VAL 76 far 0 55 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 8499 from cnoeabs.peaks (1.51, 4.23, 68.56 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.93: QB ALA 73 + HB THR 74 OK 93 93 100 100 4.1-4.2 10494=89, 3.6/7047=85...(9) HB3 LEU 51 - HB THR 74 far 0 90 0 - 8.5-9.8 HG LEU 12 - HB THR 74 far 0 90 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 8500 from cnoeabs.peaks (0.70, 0.94, 21.61 ppm; 2.98 A): 1 out of 2 assignments used, quality = 0.88: QG2 VAL 21 + QG1 VAL 76 OK 88 100 100 88 2.7-2.9 8121=59, 8884/9915=25...(9) QG2 VAL 21 - QG2 THR 74 far 0 89 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 8501 from cnoeabs.peaks (9.51, 1.52, 17.64 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + QB ALA 73 OK 100 100 100 100 3.2-3.4 9345=95, 2.6/8478=75...(20) Violated in 0 structures by 0.00 A. Peak 8502 from cnoeabs.peaks (9.51, 3.54, 66.69 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + HA THR 74 OK 100 100 100 100 4.5-4.6 2.6/9914=83, 9307/3.0=82...(12) Violated in 1 structures by 0.00 A. Peak 8503 from cnoeabs.peaks (0.86, 0.29, 21.33 ppm; 2.85 A): 2 out of 24 assignments used, quality = 0.95: QG2 VAL 102 + QG2 VAL 76 OK 87 88 100 99 1.8-1.9 2.1/8505=71, 10211=68...(16) QD1 LEU 51 + QD2 LEU 55 OK 59 62 100 95 2.4-2.8 8071=79, 10289/2.1=33...(15) QG2 VAL 25 - QD2 LEU 55 poor 14 57 40 62 3.3-3.6 2.1/8947=23, 2.1/8150=18...(9) QG1 VAL 69 - QD2 LEU 55 far 0 41 0 - 4.0-4.4 QD1 LEU 12 - QG2 VAL 76 far 0 96 0 - 4.3-4.7 HD2 LYS 98 - QG2 VAL 76 far 0 100 0 - 4.8-6.5 QD1 LEU 12 - QD2 LEU 55 far 0 56 0 - 5.9-6.1 QG2 VAL 103 - QG2 VAL 76 far 0 71 0 - 6.0-6.7 QG1 VAL 103 - QG2 VAL 76 far 0 99 0 - 6.0-7.1 QG2 VAL 25 - QG2 VAL 76 far 0 96 0 - 6.9-7.1 QG2 ILE 11 - QG2 VAL 76 far 0 99 0 - 7.1-7.3 QG2 ILE 11 - QD2 LEU 55 far 0 60 0 - 7.6-7.7 QG1 VAL 69 - QG2 VAL 76 far 0 77 0 - 7.7-7.9 QG2 VAL 6 - QD2 LEU 55 far 0 48 0 - 8.1-10.0 QG1 VAL 6 - QD2 LEU 55 far 0 54 0 - 8.2-10.0 QD1 LEU 51 - QG2 VAL 76 far 0 100 0 - 8.4-8.7 QG2 ILE 67 - QD2 LEU 55 far 0 32 0 - 8.5-8.8 QG2 VAL 103 - QD2 LEU 55 far 0 38 0 - 8.6-9.9 QG1 VAL 103 - QD2 LEU 55 far 0 61 0 - 8.6-10.1 QD1 LEU 17 - QG2 VAL 76 far 0 84 0 - 9.4-10.1 QG2 VAL 102 - QD2 LEU 55 far 0 49 0 - 9.6-9.9 HG LEU 15 - QG2 VAL 76 far 0 91 0 - 9.7-9.9 QD1 LEU 109 - QG2 VAL 76 far 0 91 0 - 9.8-15.0 QG2 ILE 67 - QG2 VAL 76 far 0 61 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 8504 from cnoeabs.peaks (0.63, 0.29, 21.33 ppm; 3.12 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 12 + QG2 VAL 76 OK 100 100 100 100 2.5-2.8 8072=100, 10212/10211=47...(14) QD1 LEU 83 - QG2 VAL 76 far 0 71 0 - 6.1-7.1 QD1 ILE 90 - QG2 VAL 76 far 0 84 0 - 6.3-7.1 QD2 LEU 12 - QD2 LEU 55 far 0 62 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 8505 from cnoeabs.peaks (0.22, 0.29, 21.33 ppm; 2.40 A): 1 out of 5 assignments used, quality = 0.80: QG1 VAL 102 + QG2 VAL 76 OK 80 100 100 80 1.9-2.0 2.1/10211=37...(15) HG2 LYS 98 - QG2 VAL 76 far 0 75 0 - 5.0-7.1 QB ALA 24 - QD2 LEU 55 far 0 51 0 - 6.1-6.3 QB ALA 24 - QG2 VAL 76 far 0 90 0 - 7.4-8.1 QG1 VAL 102 - QD2 LEU 55 far 0 62 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 8506 from cnoeabs.peaks (6.70, 0.58, 13.39 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 48 + QD1 ILE 77 OK 100 100 100 100 3.3-3.6 9324=82, 8746/8546=51...(9) Violated in 0 structures by 0.00 A. Peak 8507 from cnoeabs.peaks (3.56, 0.58, 13.39 ppm; 3.68 A increased from 3.47 A): 2 out of 4 assignments used, quality = 1.00: HA THR 74 + QD1 ILE 77 OK 97 98 100 100 3.4-3.6 8497=98, 2338/3.2=53...(11) HA TRP 48 + QD1 ILE 77 OK 88 88 100 99 3.4-3.6 9319=69, 9318/8546=55...(9) HA VAL 76 - QD1 ILE 77 far 0 61 0 - 6.5-6.6 HD2 PRO 43 - QD1 ILE 77 far 0 79 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 8508 from cnoeabs.peaks (3.16, 0.58, 13.39 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.98: HB3 TRP 42 + QD1 ILE 77 OK 89 99 100 90 3.4-4.1 8117/9976=49...(9) HB2 TRP 42 + QD1 ILE 77 OK 83 99 100 84 4.0-4.6 4.2/9968=37...(9) HB3 ASP 46 - QD1 ILE 77 far 0 100 0 - 6.4-7.1 HA LYS 52 - QD1 ILE 77 far 0 100 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 8509 from cnoeabs.peaks (2.78, 0.58, 13.39 ppm; 3.86 A increased from 3.63 A): 1 out of 3 assignments used, quality = 1.00: HB2 TRP 48 + QD1 ILE 77 OK 100 100 100 100 2.5-3.9 9321=87, 1.8/9322=63...(9) HG2 GLN 81 - QD1 ILE 77 far 0 100 0 - 7.6-9.2 HE3 LYS 52 - QD1 ILE 77 far 0 87 0 - 8.5-10.2 Violated in 1 structures by 0.00 A. Peak 8511 from cnoeabs.peaks (0.31, 3.40, 66.01 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 21 + HA ILE 77 OK 100 100 100 100 2.8-3.0 8118=90, 2.1/8870=48...(12) QG2 VAL 76 - HA ILE 77 far 0 98 0 - 5.3-5.3 Violated in 0 structures by 0.00 A. Peak 8512 from cnoeabs.peaks (0.77, 0.58, 13.39 ppm; 2.77 A): 2 out of 5 assignments used, quality = 0.98: QD1 ILE 23 + QD1 ILE 77 OK 93 94 100 99 1.8-1.9 8546=90, 8303/10789=28...(19) QG2 ILE 23 + QD1 ILE 77 OK 67 75 100 88 1.9-2.1 625/8546=40, 8140/2.1=21...(17) HG2 LYS 52 - QD1 ILE 77 far 0 91 0 - 7.0-8.6 QG2 VAL 69 - QD1 ILE 77 far 0 100 0 - 7.4-7.6 QD1 ILE 67 - QD1 ILE 77 far 0 79 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 8513 from cnoeabs.peaks (1.73, 0.58, 13.39 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: HG12 ILE 23 + QD1 ILE 77 OK 100 100 100 100 4.2-4.3 2.1/8546=96...(11) HB VAL 25 - QD1 ILE 77 far 0 93 0 - 8.3-8.8 HG LEU 55 - QD1 ILE 77 far 0 95 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 8516 from cnoeabs.peaks (-0.34, 4.38, 55.64 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.76: QG2 ILE 77 + HA ASN 78 OK 76 97 100 79 3.3-3.5 9981=56, ~2437=32...(4) Violated in 0 structures by 0.00 A. Peak 8517 from cnoeabs.peaks (6.95, 3.79, 40.05 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.93: HZ PHE 99 + HB2 PHE 79 OK 93 93 100 100 2.0-2.2 9992/1.8=77, 10849=73...(17) Violated in 0 structures by 0.00 A. Peak 8518 from cnoeabs.peaks (2.14, 1.31, 17.65 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.99: HG2 GLU 94 + QB ALA 93 OK 99 100 100 99 3.0-3.9 10113=72, 1.8/10093=62...(8) HB3 GLU 94 - QB ALA 93 far 0 99 0 - 4.3-4.5 HG12 ILE 90 - QB ALA 93 far 0 100 0 - 7.2-7.9 Violated in 4 structures by 0.02 A. Peak 8520 from cnoeabs.peaks (7.42, 3.87, 58.54 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: H GLY 97 + HA GLU 94 OK 100 100 100 100 3.4-4.0 10140=100...(3) HZ3 TRP 16 - HA GLU 94 far 0 93 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 8521 from cnoeabs.peaks (7.30, 3.47, 55.19 ppm; 3.83 A increased from 3.61 A): 3 out of 4 assignments used, quality = 0.98: QE PHE 79 + HA ALA 95 OK 90 100 100 90 2.9-4.3 10685/8522=52...(9) QD PHE 99 + HA ALA 95 OK 66 100 75 88 3.0-4.7 10856/2.1=45...(7) QE PHE 104 + HA ALA 95 OK 32 98 40 81 4.1-4.8 ~10131=34, ~11120=29...(8) HE22 GLN 86 - HA ALA 95 far 0 82 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8522 from cnoeabs.peaks (0.66, 3.47, 55.19 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.96: QD1 ILE 90 + HA ALA 95 OK 96 100 100 96 2.7-3.8 10124/2.1=65, 10681=64...(11) QG2 VAL 21 - HA ALA 95 far 0 71 0 - 7.9-8.8 QD2 LEU 12 - HA ALA 95 far 0 65 0 - 8.6-9.4 Violated in 2 structures by 0.00 A. Peak 8523 from cnoeabs.peaks (1.32, 3.47, 55.19 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.99: HB3 LYS 98 + HA ALA 95 OK 99 99 100 100 2.4-3.2 10154=96, 1.8/10123=78...(5) QB ALA 93 - HA ALA 95 far 0 99 0 - 6.4-6.8 HG LEU 83 - HA ALA 95 far 0 75 0 - 7.3-8.4 HG3 LYS 88 - HA ALA 95 far 0 100 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 8526 from cnoeabs.peaks (0.62, 0.23, 22.37 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 12 + QG1 VAL 102 OK 100 100 100 100 1.8-1.9 8073=97, 10212/2.1=82...(25) QD1 ILE 77 - QG1 VAL 102 far 0 68 0 - 6.1-6.5 QD1 LEU 83 - QG1 VAL 102 far 0 93 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 8527 from cnoeabs.peaks (0.50, 0.23, 22.37 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 14 + QG1 VAL 102 OK 100 100 100 100 1.8-1.9 8095=99, 10854/8505=65...(22) QD2 LEU 51 - QG1 VAL 102 far 0 84 0 - 5.9-6.4 HG3 LYS 98 - QG1 VAL 102 far 0 81 0 - 6.7-9.4 HG12 ILE 77 - QG1 VAL 102 far 0 100 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 8528 from cnoeabs.peaks (1.14, 0.23, 22.37 ppm; 4.40 A): 1 out of 7 assignments used, quality = 0.98: HB VAL 14 + QG1 VAL 102 OK 98 98 100 100 1.8-2.2 2.1/8095=96...(13) HG2 LYS 13 - QG1 VAL 102 far 0 98 0 - 5.0-5.7 HG3 LYS 13 - QG1 VAL 102 far 0 98 0 - 5.2-6.8 HD3 LYS 98 - QG1 VAL 102 far 0 90 0 - 7.0-9.2 HB2 LYS 98 - QG1 VAL 102 far 0 99 0 - 7.4-8.7 HB2 LEU 51 - QG1 VAL 102 far 0 73 0 - 8.6-9.3 HG LEU 51 - QG1 VAL 102 far 0 85 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 8529 from cnoeabs.peaks (0.22, 0.23, 22.37 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 102 + QG1 VAL 102 OK 99 99 - 100 Peak 8530 from cnoeabs.peaks (8.64, 4.39, 61.97 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.91: H PHE 104 + HA VAL 103 OK 91 94 100 97 2.3-2.3 3.6=83, 10235/3.2=30...(8) H GLY 106 - HA VAL 103 far 0 92 0 - 7.4-9.6 Violated in 0 structures by 0.00 A. Peak 8531 from cnoeabs.peaks (8.55, 1.87, 32.73 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.82: H VAL 14 + HB VAL 103 OK 82 100 85 97 3.3-4.7 10234/2.1=62...(10) Violated in 3 structures by 0.13 A. Peak 8535 from cnoeabs.peaks (0.12, 3.81, 64.55 ppm; 4.77 A increased from 4.24 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 15 + HB3 SER 105 OK 99 100 100 99 3.9-4.6 8830=81, 2.1/10253=73...(8) QD1 LEU 15 + HB2 SER 105 OK 57 100 60 95 4.9-5.7 8830/1.8=66, ~10253=54...(7) QB ALA 22 - HB3 SER 105 far 0 100 0 - 7.1-7.5 QB ALA 22 - HB2 SER 105 far 0 100 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 8537 from cnoeabs.peaks (6.36, 1.15, 23.43 ppm; 5.40 A increased from 4.80 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 39 + HG3 LYS 13 OK 90 100 100 90 4.3-5.6 10739/3.0=60...(7) QE TYR 39 + HG2 LYS 13 OK 89 100 100 89 5.3-5.9 10739/3.0=60...(7) Violated in 0 structures by 0.00 A. Peak 8538 from cnoeabs.peaks (0.86, 1.15, 23.43 ppm; 3.52 A increased from 3.13 A): 4 out of 20 assignments used, quality = 1.00: QG1 VAL 103 + HG2 LYS 13 OK 99 100 100 99 2.0-4.1 8801/3.9=39, 10715=31...(28) QG2 VAL 103 + HG2 LYS 13 OK 74 75 100 98 2.1-4.0 2.1/8586=31, 10719=25...(27) QG1 VAL 103 + HG3 LYS 13 OK 40 100 40 99 2.3-4.6 8801/3.9=39...(28) QG2 VAL 103 + HG3 LYS 13 OK 26 75 35 98 2.8-5.4 10719/1.8=28...(28) QG2 ILE 11 - HG2 LYS 13 far 5 98 5 - 4.1-4.7 QG2 ILE 11 - HG3 LYS 13 far 0 98 0 - 4.7-6.1 QG2 VAL 25 - HG2 LYS 13 far 0 95 0 - 4.8-6.4 QG2 VAL 25 - HG3 LYS 13 far 0 95 0 - 5.2-6.6 QD1 LEU 12 - HG2 LYS 13 far 0 94 0 - 5.3-6.5 QD1 LEU 12 - HG3 LYS 13 far 0 94 0 - 5.6-6.3 QG1 VAL 69 - HG2 LYS 13 far 0 81 0 - 6.3-7.6 QD1 LEU 51 - HG2 LYS 13 far 0 100 0 - 6.6-8.4 QG1 VAL 69 - HG3 LYS 13 far 0 81 0 - 6.6-7.7 QD1 LEU 51 - HG3 LYS 13 far 0 100 0 - 6.8-8.4 QG2 VAL 102 - HG2 LYS 13 far 0 85 0 - 7.0-7.5 QG2 VAL 102 - HG3 LYS 13 far 0 85 0 - 7.4-8.8 QD1 LEU 109 - HG3 LYS 13 far 0 88 0 - 7.6-16.0 QD1 LEU 109 - HG2 LYS 13 far 0 88 0 - 8.1-16.1 HG LEU 15 - HG3 LYS 13 far 0 88 0 - 8.5-9.7 HG LEU 15 - HG2 LYS 13 far 0 88 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 8539 from cnoeabs.peaks (1.88, 1.15, 23.43 ppm; 3.89 A): 2 out of 5 assignments used, quality = 0.99: HB VAL 103 + HG2 LYS 13 OK 94 99 95 100 2.0-4.5 8586=52, 10228/3.9=43...(22) HB VAL 103 + HG3 LYS 13 OK 84 99 85 100 1.9-5.9 8586=44, 10228/3.9=43...(22) HB3 LEU 12 - HG2 LYS 13 far 0 96 0 - 5.4-6.4 HB3 LEU 12 - HG3 LYS 13 far 0 96 0 - 6.0-7.1 HG3 PRO 35 - HG3 LYS 13 far 0 88 0 - 9.1-11.1 Violated in 3 structures by 0.05 A. Peak 8540 from cnoeabs.peaks (0.19, 1.15, 23.43 ppm; 3.86 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 24 + HG3 LYS 13 OK 93 100 95 98 2.6-4.9 8797/3.0=47, 8802/3.9=38...(16) QB ALA 24 + HG2 LYS 13 OK 79 100 80 98 3.3-4.6 8797/3.0=47, 8802/3.9=38...(17) QG1 VAL 102 - HG2 LYS 13 far 0 70 0 - 5.0-5.7 QG1 VAL 102 - HG3 LYS 13 far 0 70 0 - 5.2-6.8 Violated in 0 structures by 0.00 A. Peak 8541 from cnoeabs.peaks (7.31, 2.36, 42.84 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: H ASN 20 + HB3 LEU 17 OK 100 100 100 100 3.2-3.6 8115/1.8=94, 6237=75...(7) HE3 TRP 80 - HB3 LEU 17 far 0 100 0 - 7.8-8.4 QE PHE 104 - HB3 LEU 17 far 0 100 0 - 8.7-9.8 HE22 GLN 81 - HB3 LEU 17 far 0 82 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 8542 from cnoeabs.peaks (2.41, 2.74, 41.20 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.95: HG2 GLN 19 + HB3 ASP 18 OK 85 97 100 88 2.2-3.0 3.0/8850=34, 8544=33...(8) HG3 GLN 19 + HB3 ASP 18 OK 41 95 50 87 3.9-4.7 3.0/8850=34, 8544=33...(8) HG2 GLN 19 + HB2 ASP 18 OK 36 97 50 75 3.8-4.3 8544/1.8=26, ~8850=23...(8) HG3 GLN 19 - HB2 ASP 18 far 0 95 0 - 5.5-6.0 HB3 ASN 20 - HB3 ASP 18 far 0 65 0 - 5.8-7.9 HB3 ASN 20 - HB2 ASP 18 far 0 65 0 - 6.0-8.8 Violated in 0 structures by 0.00 A. Peak 8544 from cnoeabs.peaks (2.74, 2.39, 33.69 ppm; 3.58 A): 3 out of 4 assignments used, quality = 0.93: HB3 ASP 18 + HG2 GLN 19 OK 70 75 100 92 2.2-3.0 8542=50, 8850/3.0=39...(8) HB3 ASP 18 + HG3 GLN 19 OK 68 100 75 91 3.9-4.7 8542/1.8=41, 8850/3.0=39...(8) HB2 ASP 18 + HG2 GLN 19 OK 31 75 50 82 3.8-4.3 1.8/8542=39, ~8850=26...(8) HB2 ASP 18 - HG3 GLN 19 far 0 100 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 8545 from cnoeabs.peaks (1.85, 2.26, 29.89 ppm; 2.98 A): 1 out of 8 assignments used, quality = 0.89: HB3 GLN 86 + HB2 GLN 86 OK 89 89 100 100 1.8-1.8 1.8=100 HB2 LEU 17 - HB2 GLN 19 far 0 100 0 - 4.5-5.6 HB VAL 76 - HB2 GLU 75 far 0 78 0 - 4.5-4.6 HB VAL 76 - HB3 GLU 75 far 0 77 0 - 5.8-6.0 HB3 ARG 44 - HB2 GLN 19 far 0 75 0 - 8.1-10.6 HB3 LEU 12 - HB2 GLU 75 far 0 77 0 - 8.2-8.4 HB2 GLN 89 - HB2 GLN 86 far 0 100 0 - 8.9-10.4 HB3 LEU 12 - HB3 GLU 75 far 0 77 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 8546 from cnoeabs.peaks (0.60, 0.75, 13.70 ppm; 2.69 A): 1 out of 4 assignments used, quality = 0.93: QD1 ILE 77 + QD1 ILE 23 OK 93 96 100 96 1.8-1.9 8512=49, 10789/8303=30...(21) QD2 LEU 12 - QD1 ILE 23 far 0 82 0 - 4.3-4.8 QD2 LEU 12 - QD1 ILE 11 far 0 74 0 - 6.9-7.1 HB2 PRO 43 - QD1 ILE 23 far 0 95 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 8547 from cnoeabs.peaks (9.29, 5.31, 52.61 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.96: H LEU 36 + HA ASP 26 OK 96 97 100 99 2.2-2.5 9152=85, 3.6/8549=54...(11) Violated in 0 structures by 0.00 A. Peak 8549 from cnoeabs.peaks (5.05, 5.31, 52.61 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.98: HA PRO 35 + HA ASP 26 OK 98 100 100 98 2.9-3.0 10941=85, 3.6/8547=45...(8) HA GLN 27 - HA ASP 26 far 0 93 0 - 4.4-4.4 Violated in 0 structures by 0.00 A. Peak 8551 from cnoeabs.peaks (1.04, 0.68, 12.63 ppm; 2.88 A): 2 out of 3 assignments used, quality = 0.99: QG2 THR 33 + QD1 ILE 28 OK 92 92 100 100 2.2-2.3 9104=92, 9105/2.1=40...(17) HG12 ILE 11 + QD1 ILE 28 OK 82 99 85 98 2.5-3.5 1.8/8552=57, 8763=54...(13) QG2 THR 37 - QD1 ILE 28 far 0 57 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 8552 from cnoeabs.peaks (1.41, 0.68, 12.63 ppm; 3.21 A): 1 out of 5 assignments used, quality = 0.99: HG13 ILE 11 + QD1 ILE 28 OK 99 99 100 100 2.1-3.7 8764=79, 1.8/8763=60...(14) HB2 LYS 88 - QD1 ILE 90 far 8 51 15 - 3.7-5.3 HG3 LYS 84 - QD1 ILE 90 far 0 31 0 - 8.4-12.3 QB ALA 64 - QD1 ILE 28 far 0 59 0 - 8.8-9.1 HG2 LYS 31 - QD1 ILE 28 far 0 99 0 - 10.0-10.6 Violated in 4 structures by 0.09 A. Peak 8554 from cnoeabs.peaks (8.52, 0.72, 20.00 ppm; 4.65 A increased from 4.14 A): 2 out of 2 assignments used, quality = 1.00: H ILE 28 + QG2 VAL 29 OK 99 100 100 99 4.6-4.6 742/8195=66, 733/8194=65...(6) H SER 9 + QG2 VAL 29 OK 92 95 100 97 4.3-4.6 6062/8030=82...(4) Violated in 0 structures by 0.00 A. Peak 8556 from cnoeabs.peaks (8.51, 1.02, 21.57 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.98: H ILE 28 + QG2 THR 33 OK 98 98 100 100 3.5-3.6 3.0/8221=81...(15) H SER 9 - QG2 THR 33 far 0 100 0 - 5.5-5.6 H VAL 14 - QG2 THR 33 far 0 63 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 8557 from cnoeabs.peaks (2.05, 3.65, 64.80 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.88: HG2 GLN 27 + HB3 SER 34 OK 88 88 100 100 1.7-4.5 8194/10350=69...(13) HG2 PRO 35 - HB3 SER 34 far 0 97 0 - 6.4-6.6 Violated in 1 structures by 0.03 A. Peak 8559 from cnoeabs.peaks (1.95, 1.57, 27.00 ppm; 4.77 A): 3 out of 8 assignments used, quality = 1.00: HB2 GLN 27 + HG LEU 36 OK 93 93 100 100 4.4-5.0 ~8254=49, ~9164=49...(22) HB2 GLU 54 + HG LEU 36 OK 91 100 100 91 3.6-4.3 9192/8262=78, 9678=23...(8) HB3 GLN 27 + HG LEU 36 OK 90 90 100 100 4.3-4.6 ~8254=49, ~9164=49...(23) HB VAL 69 - HG LEU 12 poor 19 42 45 - 5.1-5.5 HB2 GLN 72 - HG LEU 12 poor 14 25 55 - 5.3-5.5 HB3 GLU 101 - HG LEU 12 far 0 46 0 - 6.6-7.4 HB VAL 69 - HG LEU 36 far 0 96 0 - 8.4-8.6 HB3 LEU 70 - HG LEU 12 far 0 47 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 8560 from cnoeabs.peaks (2.87, 1.57, 27.00 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: HE2 LYS 58 + HG LEU 36 OK 100 100 100 100 2.6-4.0 8243/2.1=96, 1.8/9167=94...(19) HD3 ARG 66 - HG LEU 36 far 0 63 0 - 8.0-10.9 Violated in 0 structures by 0.00 A. Peak 8563 from cnoeabs.peaks (6.83, 3.86, 49.50 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.75: HD1 TRP 42 + HD3 PRO 43 OK 75 100 100 75 3.6-4.5 11130/1.8=46...(3) HZ2 TRP 80 - HD3 PRO 43 far 5 95 5 - 5.2-6.2 HZ PHE 41 - HD3 PRO 43 far 0 100 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 8564 from cnoeabs.peaks (8.54, 4.04, 58.78 ppm; 4.78 A increased from 4.50 A): 1 out of 1 assignment used, quality = 1.00: H GLU 56 + HA GLU 54 OK 100 100 100 100 4.7-4.8 6715/3.6=84...(4) Violated in 2 structures by 0.00 A. Peak 8566 from cnoeabs.peaks (-0.13, 0.43, 25.67 ppm; 2.79 A): 1 out of 2 assignments used, quality = 0.85: QD2 LEU 70 + QD1 LEU 70 OK 85 85 100 100 2.1-2.1 2.1=100 QD2 LEU 70 - QD1 LEU 55 far 10 100 10 - 3.4-4.0 Violated in 0 structures by 0.00 A. Peak 8571 from cnoeabs.peaks (6.88, 4.19, 51.92 ppm; 5.05 A): 1 out of 3 assignments used, quality = 1.00: H ASP 65 + HA ALA 62 OK 100 100 100 100 4.5-4.6 8412/2.1=100...(8) H TRP 60 - HA ALA 62 far 0 100 0 - 7.3-7.7 H TRP 60 - HA ALA 57 far 0 48 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 8572 from cnoeabs.peaks (1.93, 4.19, 51.92 ppm; 4.58 A increased from 4.31 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 63 + HA ALA 62 OK 99 99 100 100 4.7-4.8 6823/6819=86...(9) HB2 GLU 56 + HA ALA 57 OK 40 41 100 99 4.3-4.5 6735/3.0=78, ~6736=52...(7) HG3 GLU 56 - HA ALA 57 far 0 27 0 - 6.4-6.6 HB2 GLU 54 - HA ALA 57 far 0 37 0 - 7.7-7.8 HG3 GLU 56 - HA ALA 62 far 0 70 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 8573 from cnoeabs.peaks (2.10, 4.19, 51.92 ppm; 4.77 A increased from 4.24 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLU 63 + HA ALA 62 OK 100 100 100 100 4.6-4.6 9672=100, 6822/6819=91...(8) Violated in 0 structures by 0.00 A. Peak 8577 from cnoeabs.peaks (-0.14, 0.78, 22.09 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + QG2 VAL 69 OK 100 100 100 100 3.2-3.3 2.1/11285=88...(21) Violated in 0 structures by 0.00 A. Peak 8578 from cnoeabs.peaks (2.69, 3.11, 36.95 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 87 + HB3 ASN 87 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 84 - HB3 ASN 87 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 8580 from cnoeabs.peaks (2.29, 3.81, 55.20 ppm; 5.58 A): 3 out of 6 assignments used, quality = 1.00: HG2 GLN 72 + HA ALA 73 OK 100 100 100 100 3.9-4.0 7030/3.0=99, 9893/2.1=93...(14) HB3 GLN 72 + HA ALA 73 OK 99 99 100 100 5.6-5.6 8476/8490=90...(15) HB2 GLU 75 + HA ALA 73 OK 91 93 100 98 5.1-5.2 4.6/7069=67...(7) HB3 GLU 75 - HA ALA 73 far 0 94 0 - 6.7-6.8 HG3 GLU 101 - HA ALA 73 far 0 100 0 - 8.1-8.6 HG2 GLU 101 - HA ALA 73 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 8583 from cnoeabs.peaks (5.10, 2.37, 32.06 ppm; 5.13 A increased from 4.83 A): 1 out of 1 assignment used, quality = 1.00: HA PHE 99 + HB2 PRO 100 OK 100 100 100 100 5.0-5.1 2778/3.0=96, 2776/3.0=96...(10) Violated in 2 structures by 0.00 A. Peak 8585 from cnoeabs.peaks (7.30, 0.23, 22.37 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: QD PHE 99 + QG1 VAL 102 OK 100 100 100 100 3.9-4.5 8844/2.1=87...(21) QE PHE 104 + QG1 VAL 102 OK 99 99 100 100 3.0-3.8 2.2/10828=52, ~11147=47...(19) QE PHE 79 - QG1 VAL 102 far 0 100 0 - 7.3-8.4 HE3 TRP 80 - QG1 VAL 102 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8586 from cnoeabs.peaks (1.15, 1.87, 32.73 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: HG2 LYS 13 + HB VAL 103 OK 100 100 100 100 2.0-4.5 8539=52, 3.9/10228=44...(22) HG3 LYS 13 + HB VAL 103 OK 85 100 85 100 1.9-5.9 8539=47, 3.9/10228=44...(22) HB VAL 14 - HB VAL 103 far 0 81 0 - 5.3-6.4 HB2 LEU 12 - HB VAL 103 far 0 77 0 - 6.3-9.0 Violated in 3 structures by 0.04 A. Peak 8587 from cnoeabs.peaks (4.26, 0.90, 21.00 ppm; 3.81 A): 1 out of 12 assignments used, quality = 0.72: HA VAL 102 + QG2 VAL 103 OK 72 93 100 77 3.2-3.7 2876/3.9=46...(6) HA LEU 109 - QG1 VAL 103 far 3 64 5 - 4.2-13.1 HA VAL 102 - QG1 VAL 103 far 3 54 5 - 3.5-5.5 HA3 GLY 106 - QG1 VAL 103 far 0 46 0 - 5.3-8.3 HA LEU 109 - QG2 VAL 103 far 0 100 0 - 6.0-15.6 HA ALA 24 - QG1 VAL 103 far 0 62 0 - 7.0-8.5 HA ILE 28 - QG2 VAL 103 far 0 99 0 - 7.3-8.1 HA ALA 24 - QG2 VAL 103 far 0 99 0 - 7.4-9.5 HA3 GLY 106 - QG2 VAL 103 far 0 82 0 - 7.6-10.8 HA ILE 28 - QG1 VAL 103 far 0 61 0 - 8.2-9.7 HA SER 38 - QG1 VAL 103 far 0 52 0 - 8.6-10.0 HA SER 38 - QG2 VAL 103 far 0 91 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 8588 from cnoeabs.peaks (8.63, 0.90, 21.00 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.98: H PHE 104 + QG2 VAL 103 OK 95 100 100 96 3.6-4.1 4.3=64, 8530/3.2=54...(9) H PHE 104 + QG1 VAL 103 OK 61 63 100 96 1.9-3.8 4.3=64, 8530/3.2=54...(10) H GLY 106 - QG1 VAL 103 far 0 37 0 - 4.5-6.6 H GLY 106 - QG2 VAL 103 far 0 70 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 8589 from cnoeabs.peaks (8.56, 3.81, 64.55 ppm; 4.32 A): 0 out of 2 assignments used, quality = 0.00: H VAL 14 - HB3 SER 105 far 0 91 0 - 5.7-6.8 H VAL 14 - HB2 SER 105 far 0 91 0 - 5.8-8.1 Violated in 20 structures by 1.45 A. Peak 8595 from cnoeabs.peaks (0.82, 2.21, 45.42 ppm; 4.31 A): 1 out of 6 assignments used, quality = 0.79: QD1 LEU 17 + HB2 ASN 20 OK 79 97 100 82 2.4-4.0 10300/4.1=44...(7) QD2 LEU 17 - HB2 ASN 20 far 14 91 15 - 4.9-6.2 QG2 ILE 23 - HB2 ASN 20 far 0 93 0 - 7.0-7.8 QD1 LEU 109 - HB2 ASN 20 far 0 93 0 - 8.7-21.4 HG LEU 15 - HB2 ASN 20 far 0 93 0 - 9.4-10.8 HB2 LYS 84 - HB2 ASN 20 far 0 96 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8596 from cnoeabs.peaks (0.84, 2.45, 45.42 ppm; 5.01 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 17 + HB3 ASN 20 OK 99 100 100 99 1.9-5.0 8595/1.8=87...(8) QD2 LEU 17 + HB3 ASN 20 OK 90 100 95 95 3.5-6.9 ~8595=68, 10830/10406=50...(7) QG2 ILE 23 - HB3 ASN 20 far 0 71 0 - 7.5-8.4 QD1 LEU 109 - HB3 ASN 20 far 0 100 0 - 7.8-21.9 HG LEU 15 - HB3 ASN 20 far 0 100 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 8602 from cnoeabs.peaks (2.78, 2.78, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 48 + HB2 TRP 48 OK 100 100 - 100 Peak 8603 from cnoeabs.peaks (2.78, 3.39, 29.31 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 48 + HB3 TRP 48 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 52 - HB3 TRP 48 far 0 92 0 - 6.2-9.0 Violated in 0 structures by 0.00 A. Peak 8604 from cnoeabs.peaks (3.58, 3.39, 29.31 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 48 + HB3 TRP 48 OK 100 100 100 100 2.5-3.0 3.0=100 HA THR 74 - HB3 TRP 48 poor 16 65 25 - 3.9-5.8 Violated in 0 structures by 0.00 A. Peak 8605 from cnoeabs.peaks (3.58, 3.58, 62.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 48 + HA TRP 48 OK 100 100 - 100 Peak 8612 from cnoeabs.peaks (8.06, 8.05, 53.92 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 8616 from cnoeabs.peaks (9.74, 7.16, 127.26 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 16 + HD1 TRP 16 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 8620 from cnoeabs.peaks (3.39, 3.39, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 48 + HB3 TRP 48 OK 100 100 - 100 Peak 8621 from cnoeabs.peaks (3.39, 2.78, 29.31 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 48 + HB2 TRP 48 OK 100 100 100 100 1.8-1.8 1.8=100 HA ILE 77 - HB2 TRP 48 far 0 100 0 - 7.1-8.8 HB3 PHE 40 - HB2 TRP 48 far 0 100 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 8622 from cnoeabs.peaks (3.58, 2.78, 29.31 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HA TRP 48 + HB2 TRP 48 OK 100 100 100 100 2.5-3.0 3.0=100 HA THR 74 + HB2 TRP 48 OK 28 65 70 60 4.0-5.5 8497/8509=31...(4) Violated in 0 structures by 0.00 A. Peak 8624 from cnoeabs.peaks (3.41, 3.58, 62.67 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.96: HB3 TRP 48 + HA TRP 48 OK 96 96 100 100 2.5-3.0 3.0=100 HB3 PHE 40 - HA TRP 48 far 0 98 0 - 6.0-6.4 HA ILE 77 - HA TRP 48 far 0 99 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 8625 from cnoeabs.peaks (2.79, 3.58, 62.67 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: HB2 TRP 48 + HA TRP 48 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 52 - HA TRP 48 far 0 95 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 8626 from cnoeabs.peaks (6.70, 2.78, 29.31 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 48 + HB2 TRP 48 OK 100 100 100 100 2.7-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 8627 from cnoeabs.peaks (7.30, 2.78, 29.31 ppm; 4.78 A): 1 out of 5 assignments used, quality = 0.82: HE3 TRP 48 + HB2 TRP 48 OK 82 82 100 100 2.4-4.1 4.2=100 HZ3 TRP 42 - HB2 TRP 48 far 0 63 0 - 5.5-6.3 HZ2 TRP 48 - HB2 TRP 48 far 0 91 0 - 6.1-6.5 HH2 TRP 42 - HB2 TRP 48 far 0 88 0 - 6.8-7.6 HE3 TRP 80 - HB2 TRP 48 far 0 100 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 8628 from cnoeabs.peaks (7.58, 2.78, 29.31 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.99: H GLN 49 + HB2 TRP 48 OK 99 99 100 100 2.4-3.8 4.6=100 HD21 ASN 78 - HB2 TRP 48 far 0 96 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 8629 from cnoeabs.peaks (8.42, 2.78, 29.31 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: H TRP 48 + HB2 TRP 48 OK 100 100 100 100 2.3-2.8 4.0=100 H ALA 73 - HB2 TRP 48 far 0 57 0 - 6.9-8.3 H ASN 78 - HB2 TRP 48 far 0 73 0 - 7.3-8.9 H ASP 53 - HB2 TRP 48 far 0 65 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 8630 from cnoeabs.peaks (6.70, 3.39, 29.31 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 48 + HB3 TRP 48 OK 100 100 100 100 2.8-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 8631 from cnoeabs.peaks (7.28, 3.39, 29.31 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.99: * HE3 TRP 48 + HB3 TRP 48 OK 99 99 100 100 2.4-4.0 4.2=100 HZ2 TRP 48 - HB3 TRP 48 far 0 63 0 - 6.1-6.5 HH2 TRP 42 - HB3 TRP 48 far 0 100 0 - 6.9-7.8 HE3 TRP 80 - HB3 TRP 48 far 0 94 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 8632 from cnoeabs.peaks (7.57, 3.39, 29.31 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: H GLN 49 + HB3 TRP 48 OK 100 100 100 100 2.3-3.8 4.6=100 H GLU 75 - HB3 TRP 48 far 0 75 0 - 7.1-9.0 HD21 ASN 78 - HB3 TRP 48 far 0 100 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 8633 from cnoeabs.peaks (8.42, 3.39, 29.31 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: H TRP 48 + HB3 TRP 48 OK 100 100 100 100 2.3-2.8 4.0=100 H ALA 73 - HB3 TRP 48 far 0 65 0 - 6.8-8.3 H ASN 78 - HB3 TRP 48 far 0 65 0 - 7.2-9.2 H ASP 53 - HB3 TRP 48 far 0 73 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 8634 from cnoeabs.peaks (9.51, 6.70, 125.35 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 48 + HD1 TRP 48 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 8635 from cnoeabs.peaks (3.39, 6.70, 125.35 ppm; 5.39 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 48 + HD1 TRP 48 OK 100 100 100 100 2.8-3.9 3.9=100 HA ILE 77 - HD1 TRP 48 far 0 100 0 - 7.7-8.0 HB3 PHE 40 - HD1 TRP 48 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 8636 from cnoeabs.peaks (2.78, 6.70, 125.35 ppm; 5.10 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 48 + HD1 TRP 48 OK 100 100 100 100 2.7-3.9 3.9=100 HE3 LYS 52 - HD1 TRP 48 far 0 92 0 - 6.5-9.0 Violated in 0 structures by 0.00 A. Peak 8640 from cnoeabs.peaks (9.51, 7.32, 114.28 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 48 + HZ2 TRP 48 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 8641 from cnoeabs.peaks (10.44, 7.19, 127.30 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 60 + HD1 TRP 60 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 8645 from cnoeabs.peaks (3.57, 7.30, 120.80 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TRP 60 + HE3 TRP 60 OK 100 100 100 100 2.5-2.6 4.2=100 HA TRP 48 + HE3 TRP 48 OK 49 50 100 97 4.5-4.8 4.7=81, 3.6/9352=58...(6) HA THR 74 - HE3 TRP 48 far 0 38 0 - 6.4-7.1 HA ILE 67 - HE3 TRP 48 far 0 51 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 8649 from cnoeabs.peaks (10.44, 7.46, 114.23 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 60 + HZ2 TRP 60 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 8650 from cnoeabs.peaks (9.86, 9.85, 82.91 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 8651 from cnoeabs.peaks (3.80, 9.42, 79.62 ppm; 4.73 A): 0 out of 0 assignments used, quality = 0.00: Peak 8652 from cnoeabs.peaks (3.78, 7.68, 119.93 ppm; 6.00 A): 2 out of 6 assignments used, quality = 1.00: * HB3 TRP 16 + HE3 TRP 16 OK 100 100 100 100 2.6-3.2 4.2=100 HA TRP 80 + HE3 TRP 16 OK 99 100 100 99 5.5-6.2 10008/4.3=89, ~10275=63...(6) HB2 SER 105 - HE3 TRP 16 far 0 71 0 - 7.8-10.0 HB3 SER 105 - HE3 TRP 16 far 0 69 0 - 7.8-9.0 HB2 PHE 79 - HE3 TRP 16 far 0 98 0 - 8.4-9.2 HA ALA 73 - HE3 TRP 16 far 0 71 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 8653 from cnoeabs.peaks (3.13, 7.68, 119.93 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 16 + HE3 TRP 16 OK 100 100 100 100 4.1-4.2 4.2=100 HB3 PHE 99 - HE3 TRP 16 far 0 95 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 8654 from cnoeabs.peaks (3.39, 7.27, 120.40 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 48 + HE3 TRP 48 OK 100 100 100 100 2.4-4.0 4.2=100 HB3 PHE 40 - HE3 TRP 48 far 0 100 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 8655 from cnoeabs.peaks (2.78, 7.27, 120.40 ppm; 5.40 A): 2 out of 5 assignments used, quality = 1.00: * HB2 TRP 48 + HE3 TRP 48 OK 100 100 100 100 2.4-4.1 4.2=100 HE3 LYS 52 + HE3 TRP 48 OK 92 92 100 100 4.5-5.8 9444/2.5=87, ~9440=76...(15) HD2 ARG 66 - HE3 TRP 60 far 0 48 0 - 8.6-12.1 HB2 PHE 10 - HE3 TRP 60 far 0 27 0 - 8.7-9.0 HD2 ARG 66 - HE3 TRP 48 far 0 98 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 8656 from cnoeabs.peaks (2.95, 7.30, 120.80 ppm; 5.63 A): 2 out of 2 assignments used, quality = 0.99: * HB2 TRP 60 + HE3 TRP 60 OK 98 98 100 100 4.1-4.1 4.2=100 HE2 LYS 52 + HE3 TRP 48 OK 51 51 100 100 3.8-4.7 9440/2.5=98, 9439/4.3=83...(16) Violated in 0 structures by 0.00 A. Peak 8659 from cnoeabs.peaks (0.84, 4.19, 69.34 ppm; 4.40 A increased from 4.14 A): 1 out of 2 assignments used, quality = 0.98: QG1 VAL 6 + HB THR 5 OK 98 100 100 98 4.1-4.6 8660/37=77, 4.0/40=56...(6) QG2 VAL 6 - HB THR 5 far 0 100 0 - 5.3-6.5 Violated in 1 structures by 0.01 A. Peak 8660 from cnoeabs.peaks (0.85, 4.33, 61.50 ppm; 3.61 A increased from 3.21 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 6 + HA THR 5 OK 93 100 100 93 3.2-3.6 6032/6027=52...(6) QG2 VAL 6 - HA THR 5 far 0 99 0 - 5.4-5.5 Violated in 0 structures by 0.00 A. Peak 8661 from cnoeabs.peaks (1.99, 4.33, 61.50 ppm; 4.66 A increased from 4.39 A): 1 out of 1 assignment used, quality = 1.00: HB VAL 6 + HA THR 5 OK 100 100 100 100 4.5-4.7 2.1/8660=94...(6) Violated in 1 structures by 0.00 A. Peak 8666 from cnoeabs.peaks (1.11, 4.10, 61.82 ppm; 4.86 A increased from 4.57 A): 1 out of 2 assignments used, quality = 0.84: QG2 THR 5 + HA VAL 6 OK 84 84 100 100 4.6-5.0 3.2/8669=66, ~40=52...(9) QG2 THR 8 - HA VAL 6 far 0 87 0 - 5.9-6.5 Violated in 1 structures by 0.01 A. Peak 8667 from cnoeabs.peaks (3.03, 4.10, 61.82 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.93: HB3 HIS 7 + HA VAL 6 OK 93 98 100 96 4.2-4.6 1.8/8668=61, 3.0/8670=49...(7) Violated in 0 structures by 0.00 A. Peak 8668 from cnoeabs.peaks (3.10, 4.10, 61.82 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.99: HB2 HIS 7 + HA VAL 6 OK 99 100 100 100 4.8-5.7 1.8/8667=94, 3.0/8670=65...(7) Violated in 2 structures by 0.03 A. Peak 8669 from cnoeabs.peaks (4.33, 4.10, 61.82 ppm; 4.72 A increased from 4.45 A): 1 out of 3 assignments used, quality = 1.00: HA THR 5 + HA VAL 6 OK 100 100 100 100 4.3-4.6 6027/3.0=94, 8660/3.2=81...(8) HA ALA 3 - HA VAL 6 far 0 100 0 - 7.0-10.5 HA LYS 31 - HA VAL 6 far 0 90 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 8670 from cnoeabs.peaks (4.69, 4.10, 61.82 ppm; 5.58 A increased from 4.96 A): 1 out of 1 assignment used, quality = 1.00: HA HIS 7 + HA VAL 6 OK 100 100 100 100 4.4-5.4 3.0/8667=85, 3.0/8668=74...(9) Violated in 0 structures by 0.00 A. Peak 8673 from cnoeabs.peaks (1.09, 0.84, 20.73 ppm; 3.49 A increased from 3.11 A): 1 out of 7 assignments used, quality = 0.96: QG2 THR 8 + QG2 VAL 6 OK 96 100 100 96 3.1-3.5 8690=93, 2.1/8688=25...(5) QG2 THR 8 - QG1 VAL 6 poor 20 100 20 - 3.9-5.3 HB VAL 14 - QG1 VAL 103 far 4 37 10 - 3.9-5.7 HG12 ILE 11 - QG1 VAL 103 far 0 36 0 - 5.8-7.5 HG12 ILE 11 - QG2 VAL 6 far 0 61 0 - 9.7-10.4 HB2 LEU 51 - QG1 VAL 103 far 0 61 0 - 9.8-12.3 QG2 THR 8 - QG1 VAL 103 far 0 70 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 8675 from cnoeabs.peaks (8.07, 4.68, 56.25 ppm; 3.01 A): 1 out of 1 assignment used, quality = 0.97: * H THR 8 + HA HIS 7 OK 97 100 100 97 2.8-3.3 6049=93, 6050/3.0=27...(6) Violated in 1 structures by 0.01 A. Peak 8676 from cnoeabs.peaks (8.48, 4.68, 56.25 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.99: * H HIS 7 + HA HIS 7 OK 99 99 100 100 2.3-2.9 3.0=100 H ALA 22 - HA TRP 16 far 5 54 10 - 4.6-5.6 H SER 9 - HA HIS 7 far 0 91 0 - 5.5-5.9 H ILE 28 - HA HIS 7 far 0 71 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 8677 from cnoeabs.peaks (6.96, 4.68, 56.25 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.90: * HD2 HIS 7 + HA HIS 7 OK 84 100 90 94 2.2-4.8 4.6=59, 11223/3.0=58...(5) H LEU 17 + HA TRP 16 OK 38 38 100 100 2.2-2.2 3.6=100 HD22 ASN 108 - HA TRP 16 far 0 74 0 - 8.1-20.0 QE PHE 41 - HA TRP 16 far 0 74 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 8678 from cnoeabs.peaks (0.84, 4.68, 56.25 ppm; 4.46 A increased from 3.57 A): 2 out of 10 assignments used, quality = 0.99: QG2 VAL 6 + HA HIS 7 OK 97 100 100 97 3.8-4.5 3.2/8670=43, 8681/73=42...(11) QG1 VAL 6 + HA HIS 7 OK 67 100 70 96 3.4-5.6 3.2/8670=43, 69/3.0=33...(11) QD2 LEU 17 - HA TRP 16 far 0 75 0 - 5.3-5.7 QD1 LEU 17 - HA TRP 16 far 0 74 0 - 5.7-5.9 HG LEU 15 - HA TRP 16 far 0 75 0 - 5.8-6.1 QG2 ILE 23 - HA TRP 16 far 0 38 0 - 6.5-7.1 QD1 LEU 109 - HA TRP 16 far 0 75 0 - 7.0-16.8 QG1 VAL 103 - HA TRP 16 far 0 52 0 - 7.7-9.5 QG2 VAL 102 - HA TRP 16 far 0 75 0 - 9.0-9.3 QD1 LEU 12 - HA TRP 16 far 0 75 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8679 from cnoeabs.peaks (0.82, 3.10, 30.75 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 6 + HB2 HIS 7 OK 96 98 100 98 4.1-4.8 8681/1.8=54, 3.2/8668=52...(10) QG1 VAL 6 + HB2 HIS 7 OK 32 94 35 97 4.8-6.9 3.2/8668=52, ~8667=45...(10) Violated in 1 structures by 0.00 A. Peak 8681 from cnoeabs.peaks (0.84, 3.04, 30.75 ppm; 4.88 A increased from 4.60 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 6 + HB3 HIS 7 OK 99 100 100 99 4.4-4.7 3.2/8667=66, 8679/1.8=61...(10) QG1 VAL 6 + HB3 HIS 7 OK 34 100 35 99 4.4-6.2 3.2/8667=66, ~8679=45...(10) Violated in 0 structures by 0.00 A. Peak 8684 from cnoeabs.peaks (3.65, 4.59, 61.25 ppm; 5.55 A increased from 4.44 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 9 + HA THR 8 OK 98 100 100 98 4.2-5.4 4.0/6060=94, ~10280=51 HB3 SER 9 + HA THR 8 OK 98 100 100 98 5.0-5.6 4.0/6060=94, ~10280=51, ~8028=31 HA2 GLY 30 - HA THR 8 far 0 70 0 - 6.2-6.5 HB3 SER 34 - HA THR 8 far 0 100 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 8686 from cnoeabs.peaks (5.01, 1.08, 21.11 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.95: HA GLN 27 + QG2 THR 8 OK 95 96 100 100 3.9-4.2 3.0/8031=72, 3.9/8032=54...(12) HA SER 34 - QG2 THR 8 far 0 59 0 - 6.6-6.8 HA PRO 35 - QG2 THR 8 far 0 68 0 - 7.9-8.1 Violated in 3 structures by 0.00 A. Peak 8687 from cnoeabs.peaks (0.74, 4.59, 61.25 ppm; 4.03 A increased from 3.79 A): 2 out of 3 assignments used, quality = 0.96: QG2 VAL 29 + HA THR 8 OK 95 96 100 99 3.8-3.9 8030/94=74, 9072=54...(7) QG1 VAL 29 + HA THR 8 OK 29 98 30 98 4.6-4.8 9061/102=60, 810/9071=54...(7) QD1 ILE 11 - HA THR 8 far 0 84 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 8688 from cnoeabs.peaks (0.83, 4.08, 69.80 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 6 + HB THR 8 OK 91 100 100 91 2.0-3.7 8673/2.1=87, 59=18...(5) QG1 VAL 6 + HB THR 8 OK 84 98 100 86 3.2-4.8 ~8673=56, ~8690=55...(6) Violated in 0 structures by 0.00 A. Peak 8689 from cnoeabs.peaks (0.72, 4.08, 69.80 ppm; 4.79 A increased from 4.04 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 29 + HB THR 8 OK 100 100 100 100 4.6-4.7 8030/2.1=100...(7) QG1 VAL 29 - HB THR 8 far 0 79 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 8690 from cnoeabs.peaks (0.83, 1.08, 21.11 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.99: QG2 VAL 6 + QG2 THR 8 OK 99 100 100 100 3.1-3.5 8673=100, 8688/2.1=27...(5) QG1 VAL 6 - QG2 THR 8 poor 20 98 20 - 3.9-5.3 QG2 ILE 11 - QG2 THR 8 far 0 92 0 - 7.7-7.8 QG2 VAL 25 - QG2 THR 8 far 0 96 0 - 8.1-8.5 QD1 LEU 51 - QG2 THR 8 far 0 84 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 8691 from cnoeabs.peaks (1.61, 1.08, 21.11 ppm; 4.04 A): 1 out of 8 assignments used, quality = 0.85: HB ILE 28 + QG2 THR 8 OK 85 98 100 87 3.8-3.9 8704/10280=48...(6) QB ALA 62 - QG2 THR 8 far 0 75 0 - 6.1-6.5 HD2 LYS 58 - QG2 THR 8 far 0 97 0 - 6.6-7.8 HB ILE 11 - QG2 THR 8 far 0 87 0 - 8.5-8.7 HD3 LYS 31 - QG2 THR 8 far 0 95 0 - 9.2-10.9 HD2 LYS 31 - QG2 THR 8 far 0 95 0 - 9.5-10.6 HB2 LEU 55 - QG2 THR 8 far 0 100 0 - 9.5-10.0 HB2 ARG 66 - QG2 THR 8 far 0 94 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 8693 from cnoeabs.peaks (2.19, 1.08, 21.11 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLN 27 + QG2 THR 8 OK 100 100 100 100 2.0-3.9 1.8/8032=86...(13) HB2 PRO 35 - QG2 THR 8 far 0 100 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 8694 from cnoeabs.peaks (7.03, 4.08, 69.80 ppm; 5.45 A increased from 4.59 A): 1 out of 1 assignment used, quality = 0.94: QD PHE 10 + HB THR 8 OK 94 98 100 96 5.2-5.4 8025/2.1=85, 2.2/8021=49...(4) Violated in 0 structures by 0.00 A. Peak 8695 from cnoeabs.peaks (8.18, 4.08, 69.80 ppm; 4.22 A): 0 out of 3 assignments used, quality = 0.00: H VAL 6 - HB THR 8 far 0 65 0 - 6.2-6.9 H PHE 10 - HB THR 8 far 0 100 0 - 6.9-7.0 H VAL 29 - HB THR 8 far 0 95 0 - 7.4-7.5 Violated in 20 structures by 1.53 A. Peak 8697 from cnoeabs.peaks (7.04, 4.47, 57.99 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 10 + HA SER 9 OK 99 100 100 99 2.2-2.3 6075/6069=75...(10) HD21 ASN 68 - HA SER 9 far 0 98 0 - 7.2-7.6 HE21 GLN 81 - HA VAL 21 far 0 61 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 8698 from cnoeabs.peaks (6.95, 4.47, 57.99 ppm; 4.83 A): 1 out of 10 assignments used, quality = 0.46: H LEU 17 + HA VAL 21 OK 46 48 100 97 2.5-3.4 8841=80, 4.8/8705=57...(6) HD2 HIS 7 - HA SER 9 far 15 100 15 - 5.3-10.4 HD22 ASN 108 - HA SER 107 far 10 98 10 - 5.1-8.1 QE PHE 41 - HA VAL 21 far 3 60 5 - 5.3-6.7 QE PHE 41 - HA SER 107 far 0 91 0 - 8.9-16.5 H LEU 17 - HA SER 107 far 0 76 0 - 9.1-16.6 HD22 ASN 108 - HA VAL 21 far 0 67 0 - 9.4-21.7 HE22 GLN 19 - HA VAL 21 far 0 63 0 - 9.7-10.9 HE21 GLN 72 - HA SER 9 far 0 100 0 - 9.9-10.2 H ILE 61 - HA SER 9 far 0 90 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 8700 from cnoeabs.peaks (7.25, 3.65, 64.29 ppm; 5.47 A increased from 4.38 A): 2 out of 6 assignments used, quality = 1.00: QE PHE 10 + HB2 SER 9 OK 100 100 100 100 5.6-5.9 8726/4.3=64, ~8697=63...(11) QE PHE 10 + HB3 SER 9 OK 100 100 100 100 5.3-5.6 8726/4.3=64, ~8697=63...(9) HZ3 TRP 60 - HB2 SER 9 far 0 77 0 - 7.1-7.6 HZ3 TRP 60 - HB3 SER 9 far 0 77 0 - 7.4-7.7 HH2 TRP 60 - HB2 SER 9 far 0 99 0 - 7.8-8.1 HH2 TRP 60 - HB3 SER 9 far 0 99 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 8701 from cnoeabs.peaks (7.04, 3.65, 64.29 ppm; 4.15 A increased from 3.91 A): 2 out of 4 assignments used, quality = 1.00: QD PHE 10 + HB2 SER 9 OK 98 100 100 99 3.9-4.7 8697/3.0=62, 6075/4.3=53...(11) QD PHE 10 + HB3 SER 9 OK 94 100 100 94 3.8-4.1 8697/3.0=62, 6075/4.3=53...(8) HD21 ASN 68 - HB3 SER 9 far 0 93 0 - 6.4-7.5 HD21 ASN 68 - HB2 SER 9 far 0 93 0 - 6.5-8.4 Violated in 0 structures by 0.00 A. Peak 8702 from cnoeabs.peaks (5.30, 3.65, 64.29 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.95: HA PHE 10 + HB2 SER 9 OK 95 95 100 100 3.9-5.0 8176/9049=65...(18) HA PHE 10 - HB3 SER 9 far 5 95 5 - 4.0-5.5 HA ASP 26 - HB2 SER 9 far 0 99 0 - 8.9-9.8 HA ASP 26 - HB3 SER 9 far 0 99 0 - 9.1-10.7 Violated in 2 structures by 0.05 A. Peak 8703 from cnoeabs.peaks (5.33, 4.47, 57.99 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.98: HA PHE 10 + HA SER 9 OK 98 98 100 100 4.6-4.6 3.0/6069=95, 3.7/8697=67...(13) HA VAL 14 - HA VAL 21 far 0 44 0 - 6.5-6.7 HA ASP 26 - HA SER 9 far 0 92 0 - 9.8-9.9 Violated in 0 structures by 0.00 A. Peak 8704 from cnoeabs.peaks (1.62, 4.47, 57.99 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: HB ILE 28 + HA SER 9 OK 100 100 100 100 3.6-3.6 9031=93, 8710/6069=40...(23) HB2 ARG 44 - HA VAL 21 far 0 68 0 - 8.2-9.7 HB ILE 11 - HA SER 9 far 0 98 0 - 9.0-9.0 HB3 PRO 43 - HA VAL 21 far 0 55 0 - 9.6-9.9 Violated in 1 structures by 0.00 A. Peak 8705 from cnoeabs.peaks (0.81, 4.47, 57.99 ppm; 3.86 A): 1 out of 20 assignments used, quality = 0.34: QD1 LEU 17 + HA VAL 21 OK 34 55 100 63 2.9-3.7 8126/10310=32...(4) QD1 LEU 109 - HA SER 107 far 4 78 5 - 3.1-7.5 QG2 ILE 28 - HA SER 9 far 0 73 0 - 4.5-4.6 QG1 VAL 6 - HA SER 4 far 0 65 0 - 4.8-7.1 QD2 LEU 17 - HA VAL 21 far 0 46 0 - 4.9-5.3 QG1 VAL 6 - HA SER 9 far 0 79 0 - 5.0-8.4 QG2 ILE 23 - HA VAL 21 far 0 65 0 - 5.1-5.2 QG2 VAL 6 - HA SER 9 far 0 87 0 - 5.3-6.4 QD2 LEU 17 - HA SER 107 far 0 74 0 - 5.7-14.2 HG LEU 15 - HA SER 107 far 0 78 0 - 5.9-12.1 QD2 LEU 36 - HA SER 9 far 0 87 0 - 6.5-6.7 HG LEU 15 - HA VAL 21 far 0 49 0 - 6.7-7.2 QG2 ILE 11 - HA SER 9 far 0 63 0 - 7.3-7.4 QG2 VAL 6 - HA SER 4 far 0 72 0 - 7.4-8.2 QD1 LEU 109 - HA VAL 21 far 0 49 0 - 7.5-18.9 QD1 LEU 17 - HA SER 107 far 0 85 0 - 7.7-15.6 QG2 VAL 69 - HA SER 9 far 0 68 0 - 7.8-8.0 QG2 VAL 25 - HA SER 9 far 0 71 0 - 8.7-8.9 QD1 LEU 12 - HA VAL 21 far 0 43 0 - 9.0-9.4 QG2 VAL 102 - HA VAL 21 far 0 51 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8706 from cnoeabs.peaks (0.68, 4.47, 57.99 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.59: QG2 VAL 21 + HA VAL 21 OK 59 59 100 100 2.3-2.4 3.2=100 QD1 ILE 28 - HA SER 9 far 0 100 0 - 5.2-5.3 QD1 ILE 90 - HA VAL 21 far 0 59 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 8711 from cnoeabs.peaks (1.98, 5.32, 56.62 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLN 27 + HA PHE 10 OK 100 100 100 100 4.6-5.0 3.0/8045=86, 4.6/8176=61...(14) HB2 GLN 27 + HA PHE 10 OK 99 99 100 100 3.9-4.1 3.0/8045=86, 4.6/8176=61...(16) HB VAL 69 - HA PHE 10 far 0 98 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 8712 from cnoeabs.peaks (1.62, 5.32, 56.62 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 28 + HA PHE 10 OK 100 100 100 100 3.6-3.7 9034=93, 6359/8176=83...(18) HB ILE 11 + HA PHE 10 OK 98 98 100 100 5.1-5.1 6088/6081=86...(11) HD2 LYS 58 - HA PHE 10 far 0 100 0 - 8.6-9.5 HB2 ARG 66 - HA PHE 10 far 0 77 0 - 9.1-9.6 HB2 LEU 55 - HA PHE 10 far 0 96 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 8713 from cnoeabs.peaks (1.27, 5.32, 56.62 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: HG12 ILE 28 + HA PHE 10 OK 100 100 100 100 3.1-3.2 9042=99, 6361/8176=86...(22) HB ILE 61 - HA PHE 10 far 0 100 0 - 9.8-10.3 HB2 LYS 13 - HA PHE 10 far 0 69 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 8714 from cnoeabs.peaks (0.97, 5.32, 56.62 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 25 + HA PHE 10 OK 99 100 100 99 3.9-4.1 8756/6081=68...(13) HG13 ILE 28 + HA PHE 10 OK 97 97 100 100 3.6-3.8 1.8/9042=56...(16) QG2 THR 37 - HA PHE 10 far 0 79 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 8715 from cnoeabs.peaks (0.88, 5.32, 56.62 ppm; 4.33 A): 1 out of 8 assignments used, quality = 0.98: QG1 VAL 69 + HA PHE 10 OK 98 98 100 100 4.1-4.3 9803=98, 8452/3.0=79...(13) QG2 ILE 11 - HA PHE 10 far 0 79 0 - 5.0-5.1 QG2 VAL 25 - HA PHE 10 far 0 71 0 - 5.7-5.9 QG2 VAL 103 - HA PHE 10 far 0 96 0 - 7.1-8.3 QD1 LEU 51 - HA PHE 10 far 0 88 0 - 7.3-7.6 QG1 VAL 103 - HA PHE 10 far 0 99 0 - 7.9-9.4 QD1 LEU 12 - HA PHE 10 far 0 69 0 - 8.2-8.4 QG1 VAL 6 - HA PHE 10 far 0 63 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 8716 from cnoeabs.peaks (0.80, 5.32, 56.62 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 36 + HA PHE 10 OK 99 100 100 99 4.1-4.4 8238/3.7=69, 9161=46...(14) QG2 ILE 28 + HA PHE 10 OK 97 98 100 100 4.9-5.0 2.1/9034=67, 4.0/8176=63...(16) QD1 ILE 11 + HA PHE 10 OK 79 79 100 100 2.6-4.4 2.1/10287=72...(15) QG2 VAL 69 - HA PHE 10 far 0 96 0 - 6.0-6.2 HB3 LEU 55 - HA PHE 10 far 0 84 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 8717 from cnoeabs.peaks (0.68, 5.32, 56.62 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 28 + HA PHE 10 OK 100 100 100 100 4.6-4.7 9047=98, 2.1/9042=91...(18) Violated in 0 structures by 0.00 A. Peak 8718 from cnoeabs.peaks (0.90, 2.66, 41.66 ppm; 3.59 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 69 + HB3 PHE 10 OK 100 100 100 100 2.3-2.6 8452=100, 8453/1.8=77...(16) QG1 VAL 69 - HB3 ASP 65 far 0 72 0 - 5.1-5.4 QD1 LEU 51 - HB3 PHE 10 far 0 61 0 - 5.5-5.7 QD1 LEU 51 - HB3 ASP 65 far 0 37 0 - 7.5-8.4 QG2 ILE 67 - HB3 ASP 65 far 0 72 0 - 7.5-7.6 QG2 VAL 103 - HB3 PHE 10 far 0 100 0 - 7.5-8.9 QG1 VAL 103 - HB3 PHE 10 far 0 87 0 - 8.2-9.9 QG2 ILE 67 - HB3 PHE 10 far 0 100 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 8719 from cnoeabs.peaks (0.78, 2.66, 41.66 ppm; 4.07 A): 2 out of 15 assignments used, quality = 1.00: QG2 VAL 69 + HB3 PHE 10 OK 100 100 100 100 3.9-4.2 2.1/8452=88, 9806/1.8=72...(15) QD2 LEU 36 + HB3 PHE 10 OK 98 99 100 99 3.3-3.5 8238/2.5=78, ~8241=41...(12) QD1 ILE 11 - HB3 PHE 10 far 5 97 5 - 4.1-5.7 HB3 LEU 55 - HB3 ASP 65 far 0 69 0 - 5.0-6.0 QG2 VAL 69 - HB3 ASP 65 far 0 73 0 - 5.1-5.6 QD2 LEU 36 - HB3 ASP 65 far 0 70 0 - 5.6-6.1 QD1 ILE 67 - HB3 ASP 65 far 0 60 0 - 5.9-6.7 HB3 LEU 55 - HB3 PHE 10 far 0 99 0 - 5.9-6.4 QG2 ILE 28 - HB3 PHE 10 far 0 100 0 - 6.9-6.9 QD1 ILE 11 - HB3 ASP 65 far 0 67 0 - 8.6-10.1 QD1 ILE 67 - HB3 PHE 10 far 0 91 0 - 8.7-9.2 QG2 ILE 28 - HB3 ASP 65 far 0 73 0 - 9.1-9.5 QD1 ILE 23 - HB3 PHE 10 far 0 84 0 - 9.5-10.0 QG2 ILE 90 - HE2 LYS 84 far 0 56 0 - 9.7-11.7 QG1 VAL 29 - HB3 PHE 10 far 0 81 0 - 9.9-10.0 Violated in 0 structures by 0.00 A. Peak 8720 from cnoeabs.peaks (0.97, 2.82, 41.66 ppm; 3.23 A): 1 out of 9 assignments used, quality = 0.50: HG3 LYS 52 + HE3 LYS 52 OK 50 56 100 90 2.0-3.0 3.8=63, 2.9/1585=26...(13) QG1 VAL 25 - HB2 PHE 10 far 0 100 0 - 3.9-4.0 HG13 ILE 28 - HB2 PHE 10 far 0 91 0 - 6.1-6.3 QG2 THR 37 - HB2 PHE 10 far 0 90 0 - 7.2-7.4 QG2 THR 74 - HE3 LYS 52 far 0 87 0 - 7.8-10.7 QG2 THR 37 - HE3 LYS 52 far 0 77 0 - 9.3-10.3 QG1 VAL 76 - HE3 LYS 84 far 0 47 0 - 9.3-11.0 QG1 VAL 25 - HE3 LYS 52 far 0 91 0 - 9.4-10.5 QG1 VAL 14 - HE3 LYS 84 far 0 57 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 8721 from cnoeabs.peaks (1.13, 7.04, 131.14 ppm; 5.36 A): 1 out of 7 assignments used, quality = 0.95: QD1 LEU 36 + QD PHE 10 OK 95 95 100 100 3.9-4.1 2.1/8238=100, 8241=86...(17) HG3 ARG 66 - QD PHE 10 far 15 100 15 - 5.7-7.8 HG LEU 51 - QD PHE 10 far 0 88 0 - 7.6-8.2 QG2 THR 5 - QD PHE 10 far 0 100 0 - 8.5-11.4 HG2 LYS 13 - QD PHE 10 far 0 96 0 - 8.5-10.1 HG3 LYS 13 - QD PHE 10 far 0 96 0 - 8.6-10.1 HB2 LEU 51 - QD PHE 10 far 0 77 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 8722 from cnoeabs.peaks (0.98, 7.04, 131.14 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 25 + QD PHE 10 OK 100 100 100 100 2.8-2.9 8968=100, 8950/2.5=83...(18) QG2 THR 37 - QD PHE 10 far 5 94 5 - 4.9-5.1 HG13 ILE 28 - QD PHE 10 far 0 85 0 - 5.9-6.0 QG2 THR 33 - QD PHE 10 far 0 61 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 8723 from cnoeabs.peaks (0.84, 7.04, 131.14 ppm; 5.03 A increased from 4.23 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 25 + QD PHE 10 OK 100 100 100 100 4.7-4.9 2.1/8968=99, ~8950=69...(13) QD1 LEU 51 + QD PHE 10 OK 74 97 100 76 5.2-5.6 680/8968=43...(5) QG1 VAL 6 - QD PHE 10 far 0 100 0 - 5.7-8.4 QG2 VAL 6 - QD PHE 10 far 0 100 0 - 5.7-7.3 QG2 ILE 11 - QD PHE 10 far 0 99 0 - 6.4-6.4 QD1 LEU 12 - QD PHE 10 far 0 100 0 - 7.5-7.7 QG1 VAL 103 - QD PHE 10 far 0 80 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 8724 from cnoeabs.peaks (0.79, 7.04, 131.14 ppm; 4.37 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 36 + QD PHE 10 OK 100 100 100 100 1.8-1.8 8238=100, 2.1/8241=71...(20) QG2 VAL 69 + QD PHE 10 OK 99 99 100 100 4.3-4.7 9806/2.5=71, ~8452=55...(13) HB3 LEU 55 + QD PHE 10 OK 82 93 100 89 4.3-4.9 ~11255=42, 3.1/8353=30...(10) QD1 ILE 11 - QD PHE 10 far 4 89 5 - 4.8-6.2 QG2 ILE 28 - QD PHE 10 far 0 100 0 - 5.6-5.7 QD1 ILE 67 - QD PHE 10 far 0 97 0 - 8.0-8.3 QG1 VAL 29 - QD PHE 10 far 0 65 0 - 8.2-8.3 QD1 ILE 23 - QD PHE 10 far 0 69 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8727 from cnoeabs.peaks (7.25, 2.82, 41.66 ppm; 4.72 A increased from 4.45 A): 3 out of 7 assignments used, quality = 1.00: QE PHE 10 + HB2 PHE 10 OK 100 100 100 100 4.5-4.5 4.4=100 HE3 TRP 48 + HE3 LYS 52 OK 47 78 60 100 4.5-5.8 2.5/9444=67, ~9440=62...(14) HZ3 TRP 80 + HE3 LYS 84 OK 23 45 65 79 4.0-6.6 ~10906=38, 4.3/11007=35...(6) HH2 TRP 60 - HB2 PHE 10 far 0 100 0 - 6.9-7.1 HZ3 TRP 60 - HB2 PHE 10 far 0 75 0 - 7.0-7.3 HE22 GLN 86 - HE3 LYS 84 far 0 65 0 - 9.0-11.3 HH2 TRP 42 - HE3 LYS 84 far 0 60 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 8728 from cnoeabs.peaks (7.25, 2.66, 41.66 ppm; 4.83 A): 2 out of 8 assignments used, quality = 1.00: QE PHE 10 + HB3 PHE 10 OK 100 100 100 100 4.4-4.4 4.4=100 QE PHE 10 + HB3 ASP 65 OK 73 73 100 100 3.6-3.9 8383/8373=73...(12) HZ3 TRP 80 - HE2 LYS 84 poor 14 31 65 70 3.5-7.0 ~11242=26, ~10907=26...(5) HH2 TRP 60 - HB3 PHE 10 far 0 100 0 - 6.1-6.3 HZ3 TRP 60 - HB3 ASP 65 far 0 47 0 - 6.6-7.0 HZ3 TRP 60 - HB3 PHE 10 far 0 75 0 - 6.8-7.1 HH2 TRP 60 - HB3 ASP 65 far 0 71 0 - 7.6-7.9 HH2 TRP 42 - HE2 LYS 84 far 0 42 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 8729 from cnoeabs.peaks (8.51, 5.32, 56.62 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.99: H ILE 28 + HA PHE 10 OK 99 99 100 100 1.8-1.9 8176=98, 6351/8045=73...(22) H SER 9 - HA PHE 10 far 0 100 0 - 5.0-5.1 H ILE 67 - HA PHE 10 far 0 75 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8730 from cnoeabs.peaks (9.16, 5.32, 56.62 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.97: H GLN 27 + HA PHE 10 OK 97 98 100 100 4.4-4.6 2.9/8045=89...(16) H LEU 12 - HA PHE 10 far 0 100 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 8733 from cnoeabs.peaks (0.81, 7.25, 130.98 ppm; 4.45 A): 1 out of 8 assignments used, quality = 0.92: QD2 LEU 36 + QE PHE 10 OK 92 92 100 100 1.9-1.9 8238/2.2=86...(23) QG2 VAL 6 - QE PHE 10 poor 18 77 80 30 4.0-6.4 8673/8024=20...(3) QG1 VAL 6 - QE PHE 10 lone 4 68 50 12 4.0-6.7 8688/8021=9, 2.1/10930=2 QG2 VAL 69 - QE PHE 10 far 0 76 0 - 5.7-6.0 QG2 VAL 25 - QE PHE 10 far 0 60 0 - 6.4-6.6 QG2 ILE 28 - QE PHE 10 far 0 81 0 - 6.5-6.5 QD1 ILE 67 - QE PHE 10 far 0 99 0 - 8.3-8.7 QD1 LEU 12 - QE PHE 10 far 0 62 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 8735 from cnoeabs.peaks (8.52, 0.85, 17.61 ppm; 4.10 A): 0 out of 4 assignments used, quality = 0.00: H ILE 28 - QG2 ILE 11 far 0 100 0 - 5.5-5.6 H VAL 14 - QG2 ILE 11 far 0 88 0 - 6.5-6.7 H SER 9 - QG2 ILE 11 far 0 97 0 - 7.7-7.8 H ILE 67 - QG2 ILE 11 far 0 93 0 - 10.0-10.2 Violated in 20 structures by 1.07 A. Peak 8736 from cnoeabs.peaks (8.37, 0.85, 17.61 ppm; 4.59 A increased from 4.32 A): 1 out of 2 assignments used, quality = 0.83: H VAL 103 + QG2 ILE 11 OK 83 100 100 83 4.4-4.6 3.5/8061=62, 7286=29...(4) H ALA 73 - QG2 ILE 11 far 0 97 0 - 7.9-8.0 Violated in 2 structures by 0.00 A. Peak 8737 from cnoeabs.peaks (8.18, 0.85, 17.61 ppm; 5.22 A increased from 4.64 A): 1 out of 3 assignments used, quality = 0.99: H PHE 10 + QG2 ILE 11 OK 99 99 100 100 5.1-5.2 8043/8762=80...(14) H VAL 29 - QG2 ILE 11 far 0 98 0 - 7.5-7.6 H LEU 70 - QG2 ILE 11 far 0 99 0 - 8.1-8.3 Violated in 2 structures by 0.00 A. Peak 8738 from cnoeabs.peaks (8.87, 1.05, 27.04 ppm; 4.90 A): 0 out of 1 assignment used, quality = 0.00: H LYS 13 - HG12 ILE 11 far 0 93 0 - 6.9-7.8 Violated in 20 structures by 2.35 A. Peak 8739 from cnoeabs.peaks (8.85, 0.85, 17.61 ppm; 4.18 A): 0 out of 3 assignments used, quality = 0.00: H LYS 13 - QG2 ILE 11 far 0 100 0 - 5.1-5.5 H GLU 101 - QG2 ILE 11 far 0 100 0 - 6.2-6.7 H SER 105 - QG2 ILE 11 far 0 99 0 - 9.1-9.8 Violated in 20 structures by 0.89 A. Peak 8741 from cnoeabs.peaks (8.52, 1.05, 27.04 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: H ILE 28 + HG12 ILE 11 OK 100 100 100 100 3.1-3.8 8743/2.1=84, 8742/1.8=81...(12) H SER 9 - HG12 ILE 11 far 0 99 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 8742 from cnoeabs.peaks (8.52, 1.42, 27.04 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: H ILE 28 + HG13 ILE 11 OK 100 100 100 100 3.3-4.6 8743/2.1=82, 8741/1.8=76...(11) H SER 9 - HG13 ILE 11 far 0 98 0 - 6.8-7.3 H VAL 14 - HG13 ILE 11 far 0 87 0 - 9.7-10.2 H VAL 14 - HG LEU 17 far 0 37 0 - 9.7-10.3 Violated in 1 structures by 0.00 A. Peak 8743 from cnoeabs.peaks (8.52, 0.77, 13.56 ppm; 4.17 A): 1 out of 6 assignments used, quality = 1.00: H ILE 28 + QD1 ILE 11 OK 100 100 100 100 2.3-4.0 8742/2.1=63, 8741/2.1=61...(16) H SER 9 - QD1 ILE 11 far 0 98 0 - 5.5-6.5 H VAL 14 - QD1 ILE 23 far 0 79 0 - 7.3-7.7 H VAL 14 - QD1 ILE 11 far 0 87 0 - 7.6-8.2 H ASP 46 - QD1 ILE 23 far 0 95 0 - 7.6-7.8 H GLU 56 - QD1 ILE 23 far 0 77 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 8744 from cnoeabs.peaks (8.40, 0.75, 13.70 ppm; 3.95 A): 1 out of 6 assignments used, quality = 0.97: H TRP 48 + QD1 ILE 23 OK 97 98 100 99 2.5-2.8 3.0/9318=68, 3.6/8303=61...(12) H ALA 73 - QD1 ILE 23 far 0 92 0 - 5.1-5.3 H VAL 103 - QD1 ILE 11 far 0 74 0 - 6.2-6.9 H ASP 53 - QD1 ILE 23 far 0 96 0 - 6.6-7.4 H VAL 103 - QD1 ILE 23 far 0 82 0 - 8.1-8.6 H ALA 73 - QD1 ILE 11 far 0 84 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 8746 from cnoeabs.peaks (6.70, 0.75, 13.70 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: HD1 TRP 48 + QD1 ILE 23 OK 100 100 100 100 3.1-3.5 9325=82, 8506/8546=73...(11) HE22 GLN 27 - QD1 ILE 11 far 0 94 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 8753 from cnoeabs.peaks (4.26, 1.42, 27.04 ppm; 6.00 A): 1 out of 7 assignments used, quality = 0.99: HA ILE 28 + HG13 ILE 11 OK 99 99 100 100 4.2-4.6 8221/9106=98...(9) HA LEU 109 - HG LEU 17 poor 15 49 30 - 4.4-18.8 HA VAL 102 - HG13 ILE 11 far 0 92 0 - 7.6-8.3 HA VAL 29 - HG13 ILE 11 far 0 82 0 - 8.3-8.7 HA ALA 24 - HG13 ILE 11 far 0 99 0 - 9.7-11.3 HA LEU 109 - HG13 ILE 11 far 0 100 0 - 9.9-22.2 HA3 GLY 106 - HG LEU 17 far 0 33 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 8754 from cnoeabs.peaks (4.26, 1.05, 27.04 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 28 + HG12 ILE 11 OK 100 100 100 100 4.3-4.6 784/8763=94, 3.0/8741=92...(9) HA VAL 102 - HG12 ILE 11 far 0 95 0 - 7.9-8.3 HA VAL 29 - HG12 ILE 11 far 0 87 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 8755 from cnoeabs.peaks (2.34, 1.42, 27.04 ppm; 3.67 A): 2 out of 4 assignments used, quality = 0.52: HB3 LEU 17 + HG LEU 17 OK 38 38 100 100 2.4-2.5 3.0=100 HB2 ASP 26 + HG13 ILE 11 OK 23 93 25 99 2.7-4.5 11205/166=47...(21) HB3 ASP 26 - HG13 ILE 11 poor 19 97 20 - 2.8-4.7 HB2 GLU 101 - HG13 ILE 11 far 0 96 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 8757 from cnoeabs.peaks (1.16, 1.63, 42.55 ppm; 4.65 A): 2 out of 5 assignments used, quality = 0.96: HG2 LYS 13 + HB ILE 11 OK 82 99 100 82 3.4-4.3 8803/187=36...(13) HG3 LYS 13 + HB ILE 11 OK 80 99 100 81 3.7-5.2 8803/187=34...(12) HB2 LEU 12 - HB ILE 11 far 0 90 0 - 5.3-5.4 QD1 LEU 36 - HB ILE 11 far 0 99 0 - 8.6-8.8 HB VAL 14 - HB ILE 11 far 0 65 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 8758 from cnoeabs.peaks (1.18, 4.57, 58.90 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: HB2 LEU 12 + HA ILE 11 OK 100 100 100 100 4.4-4.5 6103/6096=92, 8783=88...(8) HG2 LYS 13 - HA ILE 11 far 0 71 0 - 5.9-7.0 HG3 LYS 13 - HA ILE 11 far 0 71 0 - 6.2-7.6 QD1 LEU 36 - HA ILE 11 far 0 73 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 8759 from cnoeabs.peaks (1.86, 1.63, 42.55 ppm; 5.16 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 12 + HB ILE 11 OK 100 100 100 100 5.0-5.1 6104/160=91, 8760/3.0=70...(6) HB VAL 103 + HB ILE 11 OK 64 100 85 76 4.4-6.4 8055/2.1=33...(7) Violated in 0 structures by 0.00 A. Peak 8760 from cnoeabs.peaks (1.87, 4.57, 58.90 ppm; 4.98 A): 1 out of 2 assignments used, quality = 0.99: HB3 LEU 12 + HA ILE 11 OK 99 100 100 100 4.4-4.4 6104/6096=95...(6) HB VAL 103 - HA ILE 11 far 0 100 0 - 6.5-8.6 Violated in 0 structures by 0.00 A. Peak 8761 from cnoeabs.peaks (0.67, 1.63, 42.55 ppm; 3.64 A): 0 out of 1 assignment used, quality = 0.00: QD1 ILE 28 - HB ILE 11 far 0 99 0 - 4.7-4.8 Violated in 20 structures by 1.10 A. Peak 8762 from cnoeabs.peaks (0.67, 0.85, 17.61 ppm; 3.16 A increased from 2.98 A): 1 out of 1 assignment used, quality = 0.94: QD1 ILE 28 + QG2 ILE 11 OK 94 99 100 95 3.0-3.1 8552/166=46, 2.1/8053=43...(10) Violated in 0 structures by 0.00 A. Peak 8763 from cnoeabs.peaks (0.67, 1.05, 27.04 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.97: QD1 ILE 28 + HG12 ILE 11 OK 97 98 100 100 2.5-3.5 8552/1.8=78, 8762/172=58...(14) Violated in 0 structures by 0.00 A. Peak 8764 from cnoeabs.peaks (0.68, 1.42, 27.04 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 28 + HG13 ILE 11 OK 100 100 100 100 2.1-3.7 8552=99, 8763/1.8=70...(14) QG2 VAL 21 - HG LEU 17 far 0 41 0 - 5.3-5.5 Violated in 4 structures by 0.04 A. Peak 8766 from cnoeabs.peaks (1.26, 1.05, 27.04 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.98: HG12 ILE 28 + HG12 ILE 11 OK 98 99 100 100 2.1-2.8 2.1/8763=80...(16) Violated in 0 structures by 0.00 A. Peak 8768 from cnoeabs.peaks (0.49, 1.18, 43.12 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 14 + HB2 LEU 12 OK 98 99 100 99 5.0-5.4 8070/3.0=80...(10) QD2 LEU 51 + HB2 LEU 12 OK 89 96 100 93 3.8-4.1 11169/10842=72...(7) HG12 ILE 77 - HB2 LEU 12 far 0 100 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8769 from cnoeabs.peaks (0.23, 1.18, 43.12 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 102 + HB2 LEU 12 OK 100 100 100 100 4.4-4.7 8526/3.1=88, 8771/1.8=68...(17) QB ALA 24 - HB2 LEU 12 far 0 75 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 8770 from cnoeabs.peaks (0.47, 1.86, 43.12 ppm; 5.64 A): 3 out of 5 assignments used, quality = 0.99: QD2 LEU 51 + HB3 LEU 12 OK 86 100 100 86 5.2-5.5 8495/213=44, 8768/1.8=39...(6) QG2 VAL 14 + HB3 LEU 12 OK 80 81 100 100 4.6-4.9 8070/3.0=93...(9) QD2 LEU 15 + HB2 LEU 17 OK 57 57 100 100 4.2-4.7 ~10210=67, 11247/3.0=54...(13) QG2 VAL 14 - HB2 LEU 17 far 0 65 0 - 9.0-9.6 HG12 ILE 77 - HB2 LEU 17 far 0 68 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8771 from cnoeabs.peaks (0.23, 1.86, 43.12 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 102 + HB3 LEU 12 OK 100 100 100 100 3.3-3.6 8526/3.1=95, 8769/1.8=92...(16) QB ALA 24 - HB3 LEU 12 far 0 68 0 - 6.4-7.2 Violated in 0 structures by 0.00 A. Peak 8772 from cnoeabs.peaks (0.22, 0.85, 23.88 ppm; 3.88 A increased from 3.45 A): 3 out of 6 assignments used, quality = 1.00: QG1 VAL 102 + QD1 LEU 12 OK 99 100 100 99 3.6-3.8 8073/2.1=75, ~10212=52...(19) QB ALA 24 + QD1 LEU 12 OK 79 88 95 95 4.4-4.8 2.9/10845=75, ~10846=27...(10) QB ALA 24 + QG2 VAL 25 OK 72 85 90 94 4.4-4.9 6304/4.0=44, 4.4/672=29...(13) QB ALA 24 - QD1 LEU 51 far 0 78 0 - 4.5-4.9 QG1 VAL 102 - QG2 VAL 25 far 0 98 0 - 5.5-5.9 QG1 VAL 102 - QD1 LEU 51 far 0 93 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 8773 from cnoeabs.peaks (2.29, 1.18, 43.12 ppm; 5.11 A): 2 out of 6 assignments used, quality = 1.00: HB3 GLN 72 + HB2 LEU 12 OK 100 100 100 100 5.4-5.6 8476/3.1=84, ~8075=67...(23) HG2 GLN 72 + HB2 LEU 12 OK 99 99 100 100 2.6-2.9 8775/3.1=86, 9880/3.1=83...(20) HB2 ASP 26 - HB2 LEU 12 far 0 65 0 - 6.6-6.8 HG3 GLU 101 - HB2 LEU 12 far 0 100 0 - 8.1-8.6 HG2 GLU 101 - HB2 LEU 12 far 0 100 0 - 8.5-9.1 HB2 GLU 75 - HB2 LEU 12 far 0 96 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 8774 from cnoeabs.peaks (2.28, 1.86, 43.12 ppm; 4.63 A): 2 out of 8 assignments used, quality = 1.00: HB3 GLN 72 + HB3 LEU 12 OK 100 100 100 100 4.7-4.9 8476/3.1=74, ~8075=56...(24) HG2 GLN 72 + HB3 LEU 12 OK 98 98 100 100 2.3-2.6 8775/3.1=76, 9880/3.1=72...(23) HB2 GLN 19 - HB2 LEU 17 far 4 78 5 - 4.5-5.6 HG3 GLU 101 - HB3 LEU 12 far 0 100 0 - 6.8-7.3 HG2 GLU 101 - HB3 LEU 12 far 0 100 0 - 7.2-7.8 HB2 GLU 75 - HB3 LEU 12 far 0 99 0 - 8.2-8.4 HG2 GLN 89 - HB2 LEU 17 far 0 54 0 - 8.8-14.5 HB3 GLU 75 - HB3 LEU 12 far 0 99 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 8775 from cnoeabs.peaks (2.28, 0.85, 23.88 ppm; 3.86 A): 1 out of 19 assignments used, quality = 0.98: HG2 GLN 72 + QD1 LEU 12 OK 98 98 100 100 2.6-2.9 9880/2.1=65...(24) HG2 GLN 72 - QG2 VAL 25 far 0 95 0 - 4.5-4.7 HG3 GLU 54 - QD1 LEU 51 far 0 82 0 - 5.1-5.5 HB3 GLN 72 - QD1 LEU 12 far 0 100 0 - 5.1-5.5 HB2 GLU 75 - QD1 LEU 12 far 0 99 0 - 6.5-7.0 HG2 GLN 72 - QD1 LEU 51 far 0 89 0 - 6.6-6.9 HB3 GLN 72 - QG2 VAL 25 far 0 99 0 - 6.8-7.0 HG3 GLU 101 - QD1 LEU 12 far 0 100 0 - 7.7-8.1 HG3 GLU 54 - QG2 VAL 25 far 0 89 0 - 7.7-8.1 HB3 GLU 75 - QD1 LEU 12 far 0 99 0 - 8.0-8.4 HB3 GLN 49 - QD1 LEU 51 far 0 66 0 - 8.3-8.5 HG2 GLU 101 - QD1 LEU 12 far 0 100 0 - 8.5-8.9 HB3 GLN 72 - QD1 LEU 51 far 0 94 0 - 8.8-9.1 HG2 GLN 49 - QD1 LEU 51 far 0 86 0 - 9.1-9.2 HG3 GLU 101 - QG2 VAL 25 far 0 99 0 - 9.2-9.7 HB2 GLU 75 - QG2 VAL 25 far 0 96 0 - 9.3-9.7 HG2 GLU 101 - QG2 VAL 25 far 0 99 0 - 9.5-10.0 HG3 GLU 54 - QD1 LEU 12 far 0 92 0 - 9.6-10.1 HB3 GLN 49 - QD1 LEU 12 far 0 75 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8776 from cnoeabs.peaks (2.62, 0.63, 25.54 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.99: HG3 GLN 72 + QD2 LEU 12 OK 99 99 100 100 3.1-3.3 9881=97, 1.8/9880=87...(20) HG3 GLU 75 - QD2 LEU 12 far 0 70 0 - 5.9-6.9 HE2 LYS 13 - QD2 LEU 12 far 0 82 0 - 7.7-8.7 HB3 PHE 10 - QD2 LEU 12 far 0 63 0 - 8.1-8.2 Violated in 0 structures by 0.00 A. Peak 8777 from cnoeabs.peaks (1.75, 0.63, 25.54 ppm; 4.46 A increased from 4.20 A): 1 out of 5 assignments used, quality = 0.83: HB ILE 23 + QD2 LEU 12 OK 83 85 100 97 3.9-4.3 8930=50, 10289/2.1=46...(9) HG12 ILE 23 - QD2 LEU 12 far 0 79 0 - 5.8-6.2 HG LEU 55 - QD2 LEU 12 far 0 100 0 - 8.9-9.5 HB2 GLN 96 - QD2 LEU 12 far 0 84 0 - 9.5-10.5 HB3 LEU 36 - QD2 LEU 12 far 0 100 0 - 9.6-9.7 Violated in 0 structures by 0.00 A. Peak 8779 from cnoeabs.peaks (4.25, 0.85, 23.88 ppm; 4.02 A increased from 3.57 A): 3 out of 16 assignments used, quality = 1.00: HA ALA 24 + QD1 LEU 12 OK 97 100 100 97 4.2-4.5 3.0/10845=78, 8148=34...(11) HA ALA 24 + QG2 VAL 25 OK 92 99 100 94 4.1-4.4 6303/4.0=56, 8148=33...(9) HA ALA 24 + QD1 LEU 51 OK 86 94 100 92 3.5-4.1 8966/9220=38, 8148=30...(13) HA VAL 102 - QD1 LEU 12 far 0 99 0 - 4.7-5.2 HA VAL 102 - QG2 VAL 25 far 0 97 0 - 6.1-6.4 HB THR 74 - QD1 LEU 12 far 0 87 0 - 6.2-6.4 HA ALA 47 - QD1 LEU 51 far 0 78 0 - 6.5-7.0 HA SER 38 - QD1 LEU 51 far 0 91 0 - 7.0-7.3 HA ALA 47 - QD1 LEU 12 far 0 88 0 - 7.3-7.5 HA SER 38 - QG2 VAL 25 far 0 96 0 - 7.8-8.3 HA ALA 47 - QG2 VAL 25 far 0 85 0 - 8.0-8.3 HB THR 74 - QG2 VAL 25 far 0 84 0 - 8.1-8.4 HA VAL 102 - QD1 LEU 51 far 0 92 0 - 8.6-8.9 HA SER 38 - QD1 LEU 12 far 0 99 0 - 8.7-8.9 HB THR 74 - QD1 LEU 51 far 0 77 0 - 8.7-9.0 HA ILE 28 - QG2 VAL 25 far 0 99 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 8780 from cnoeabs.peaks (4.18, 0.63, 25.54 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: HA GLN 72 + QD2 LEU 12 OK 100 100 100 100 4.0-4.2 9878=100, 3.0/8075=89...(19) Violated in 0 structures by 0.00 A. Peak 8781 from cnoeabs.peaks (3.80, 1.53, 26.71 ppm; 5.25 A): 1 out of 6 assignments used, quality = 0.99: HA ALA 73 + HG LEU 12 OK 99 99 100 100 4.2-4.4 8490/2.1=99, 8069/2.1=91...(19) HB2 SER 105 - HG LEU 109 far 5 98 5 - 4.0-13.5 HB3 SER 105 - HG LEU 109 far 5 98 5 - 5.0-13.1 HB2 SER 105 - HG LEU 12 far 0 99 0 - 9.4-11.9 HB3 TRP 16 - HG LEU 109 far 0 85 0 - 9.5-18.3 HB3 SER 105 - HG LEU 12 far 0 99 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 8782 from cnoeabs.peaks (5.37, 0.85, 23.88 ppm; 4.11 A): 3 out of 6 assignments used, quality = 0.98: HG1 THR 37 + QD1 LEU 51 OK 82 94 100 88 2.7-3.4 2.8/9193=51, 3.0/8257=34...(9) HG1 THR 37 + QG2 VAL 25 OK 76 99 100 77 3.6-4.4 8959/4.0=36, 359/2.1=20...(7) HA VAL 14 + QD1 LEU 12 OK 45 100 50 91 4.6-5.0 10317/10845=54...(8) HG1 THR 37 - QD1 LEU 12 far 0 100 0 - 5.4-5.8 HA VAL 14 - QG2 VAL 25 far 0 99 0 - 6.9-7.2 HA VAL 14 - QD1 LEU 51 far 0 94 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 8783 from cnoeabs.peaks (4.58, 1.18, 43.12 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: HA ILE 11 + HB2 LEU 12 OK 100 100 100 100 4.4-4.5 8758=100, 6096/6103=95...(8) HA ASN 71 - HB2 LEU 12 far 0 93 0 - 8.3-8.4 HA ASP 65 - HB2 LEU 12 far 0 79 0 - 8.6-8.9 HB THR 37 - HB2 LEU 12 far 0 96 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8785 from cnoeabs.peaks (7.76, 0.63, 25.54 ppm; 4.44 A): 2 out of 3 assignments used, quality = 1.00: H GLN 72 + QD2 LEU 12 OK 100 100 100 100 4.0-4.3 9877=100, 7003/8488=80...(11) H VAL 102 + QD2 LEU 12 OK 98 100 100 98 4.3-4.6 2889/10212=81...(10) HD22 ASN 71 - QD2 LEU 12 far 0 82 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 8786 from cnoeabs.peaks (7.95, 0.63, 25.54 ppm; 5.36 A): 1 out of 3 assignments used, quality = 1.00: H VAL 76 + QD2 LEU 12 OK 100 100 100 100 4.2-4.4 2406/8072=96...(5) HE21 GLN 96 - QD2 LEU 12 far 0 73 0 - 7.8-8.9 H GLN 96 - QD2 LEU 12 far 0 93 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 8787 from cnoeabs.peaks (8.98, 1.15, 23.43 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: H ASP 26 + HG3 LYS 13 OK 95 96 100 98 3.0-4.9 8982=47, 8976/4.9=41...(15) H ASP 26 + HG2 LYS 13 OK 94 96 100 98 2.8-4.6 8982=47, 8976/4.9=41...(15) H ILE 11 - HG2 LYS 13 far 0 95 0 - 5.7-7.1 H ILE 11 - HG3 LYS 13 far 0 95 0 - 5.8-7.1 H SER 34 - HG3 LYS 13 far 0 82 0 - 7.8-9.2 H SER 34 - HG2 LYS 13 far 0 82 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 8789 from cnoeabs.peaks (4.69, 1.15, 23.43 ppm; 4.42 A): 2 out of 6 assignments used, quality = 0.95: HA LEU 12 + HG3 LYS 13 OK 82 100 100 82 3.8-5.0 6111/4.9=54...(5) HA LEU 12 + HG2 LYS 13 OK 73 100 90 81 3.4-5.0 6111/4.9=54...(5) HA SER 105 - HG2 LYS 13 far 0 93 0 - 6.9-9.4 HA SER 105 - HG3 LYS 13 far 0 93 0 - 6.9-9.8 HA LEU 36 - HG3 LYS 13 far 0 84 0 - 8.6-10.9 HA LEU 36 - HG2 LYS 13 far 0 84 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 8790 from cnoeabs.peaks (2.32, 1.15, 23.43 ppm; 4.59 A): 4 out of 7 assignments used, quality = 1.00: HB2 ASP 26 + HG3 LYS 13 OK 94 100 100 94 2.7-4.0 3.0/10801=36...(14) HB2 ASP 26 + HG2 LYS 13 OK 94 100 100 94 2.9-3.8 4.0/8787=28...(14) HB3 ASP 26 + HG3 LYS 13 OK 88 100 95 93 4.3-5.4 3.0/10801=36...(14) HB3 ASP 26 + HG2 LYS 13 OK 79 100 85 93 4.4-5.2 4.0/8787=28...(14) HG2 GLN 72 - HG2 LYS 13 far 0 82 0 - 7.7-8.9 HG2 GLN 72 - HG3 LYS 13 far 0 82 0 - 8.3-9.4 HB2 GLU 101 - HG2 LYS 13 far 0 70 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8791 from cnoeabs.peaks (2.32, 1.48, 28.30 ppm; 4.32 A): 3 out of 6 assignments used, quality = 0.97: HB2 ASP 26 + HD3 LYS 13 OK 73 100 100 73 2.6-4.0 3.0/10802=29, ~10801=17...(10) HB2 ASP 26 + HD2 LYS 13 OK 70 100 95 74 3.1-5.1 ~10802=22, ~10801=17...(10) HB3 ASP 26 + HD3 LYS 13 OK 64 100 90 72 3.6-5.0 3.0/10802=29, ~10801=17...(10) HB3 ASP 26 - HD2 LYS 13 poor 18 100 25 73 3.9-6.0 ~10802=22, ~10801=17...(10) HG2 GLN 72 - HD2 LYS 13 far 0 85 0 - 8.8-10.7 HG2 GLN 72 - HD3 LYS 13 far 0 85 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 8794 from cnoeabs.peaks (0.86, 1.31, 33.70 ppm; 4.51 A): 2 out of 11 assignments used, quality = 0.99: QG1 VAL 103 + HB2 LYS 13 OK 99 99 100 100 3.1-4.4 10716=70, 8801/320=52...(23) QG2 VAL 103 + HB2 LYS 13 OK 35 70 50 100 4.1-6.1 2.1/10716=53, ~10228=43...(23) QD1 LEU 12 - HB2 LYS 13 far 0 96 0 - 5.2-6.4 QG2 VAL 25 - HB2 LYS 13 far 0 97 0 - 5.6-6.9 QG2 ILE 11 - HB2 LYS 13 far 0 99 0 - 6.4-6.8 HG LEU 15 - HB2 LYS 13 far 0 92 0 - 6.4-7.7 QD1 LEU 51 - HB2 LYS 13 far 0 100 0 - 6.8-8.4 QD1 LEU 109 - HB2 LYS 13 far 0 92 0 - 7.0-14.3 QG2 VAL 102 - HB2 LYS 13 far 0 90 0 - 7.6-7.9 QG1 VAL 69 - HB2 LYS 13 far 0 75 0 - 7.8-8.7 QD1 LEU 17 - HB2 LYS 13 far 0 85 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8795 from cnoeabs.peaks (0.19, 1.31, 33.70 ppm; 5.07 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 24 + HB2 LYS 13 OK 100 100 100 100 1.9-3.5 8797/1.8=91, 10866=87...(13) QG1 VAL 102 + HB2 LYS 13 OK 46 71 90 71 5.3-5.8 10219/4.6=37...(4) Violated in 0 structures by 0.00 A. Peak 8796 from cnoeabs.peaks (0.87, 1.60, 33.70 ppm; 4.78 A increased from 4.03 A): 2 out of 11 assignments used, quality = 1.00: QG1 VAL 103 + HB3 LYS 13 OK 100 100 100 100 1.9-4.8 10716/1.8=66...(23) QG2 VAL 103 + HB3 LYS 13 OK 82 82 100 100 3.4-5.3 2.1/10714=56...(22) QD1 LEU 12 - HB3 LYS 13 far 4 90 5 - 5.4-6.4 QG2 VAL 25 - HB3 LYS 13 far 0 91 0 - 5.7-7.0 QG2 ILE 11 - HB3 LYS 13 far 0 95 0 - 6.2-6.8 HG LEU 15 - HB3 LYS 13 far 0 82 0 - 6.4-7.4 QD1 LEU 51 - HB3 LYS 13 far 0 99 0 - 6.7-8.7 QD1 LEU 109 - HB3 LYS 13 far 0 82 0 - 6.8-13.9 QG2 VAL 102 - HB3 LYS 13 far 0 79 0 - 7.5-7.9 QG1 VAL 69 - HB3 LYS 13 far 0 87 0 - 8.0-8.8 QD1 LEU 17 - HB3 LYS 13 far 0 73 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8797 from cnoeabs.peaks (0.19, 1.60, 33.70 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 24 + HB3 LYS 13 OK 99 100 100 100 1.9-3.8 10866/1.8=60...(14) QG1 VAL 102 - HB3 LYS 13 poor 13 65 20 - 5.1-5.8 Violated in 0 structures by 0.00 A. Peak 8798 from cnoeabs.peaks (1.87, 1.48, 28.30 ppm; 4.53 A increased from 3.82 A): 2 out of 8 assignments used, quality = 1.00: HB VAL 103 + HD2 LYS 13 OK 100 100 100 100 2.0-4.4 10713=53, ~8801=47...(22) HB VAL 103 + HD3 LYS 13 OK 90 100 90 100 3.5-5.2 10713=47, ~8801=47...(22) HB3 LEU 12 - HD2 LYS 13 far 0 100 0 - 6.5-8.3 HB3 LEU 12 - HD3 LYS 13 far 0 100 0 - 7.2-8.4 HG3 PRO 35 - HD3 LYS 13 far 0 70 0 - 8.6-9.8 HG3 PRO 35 - HD2 LYS 13 far 0 70 0 - 8.7-11.4 HB3 GLU 110 - HD3 LYS 13 far 0 61 0 - 8.9-20.4 HB3 GLU 110 - HD2 LYS 13 far 0 61 0 - 9.7-19.8 Violated in 0 structures by 0.00 A. Peak 8799 from cnoeabs.peaks (0.86, 1.48, 28.30 ppm; 3.60 A increased from 3.20 A): 4 out of 20 assignments used, quality = 1.00: QG1 VAL 103 + HD2 LYS 13 OK 98 99 100 99 1.9-3.6 8801/3.0=51, 8806/3.0=40...(23) QG1 VAL 103 + HD3 LYS 13 OK 74 99 75 99 2.3-4.4 8801/3.0=51, 8806/3.0=40...(22) QG2 VAL 103 + HD2 LYS 13 OK 58 70 85 99 2.5-4.3 ~8801=28, ~10832=27...(26) QG2 VAL 103 + HD3 LYS 13 OK 51 70 75 99 3.0-5.3 ~8801=28, ~10832=27...(27) QG2 ILE 11 - HD3 LYS 13 far 0 99 0 - 4.5-6.7 QG2 ILE 11 - HD2 LYS 13 far 0 99 0 - 4.6-5.8 QD1 LEU 109 - HD2 LYS 13 far 0 92 0 - 6.0-15.0 QG2 VAL 25 - HD3 LYS 13 far 0 97 0 - 6.6-7.5 QD1 LEU 109 - HD3 LYS 13 far 0 92 0 - 6.6-15.9 QG2 VAL 25 - HD2 LYS 13 far 0 97 0 - 6.7-7.8 QD1 LEU 12 - HD2 LYS 13 far 0 96 0 - 6.7-7.8 QD1 LEU 12 - HD3 LYS 13 far 0 96 0 - 6.9-7.8 QG1 VAL 69 - HD3 LYS 13 far 0 75 0 - 7.6-8.5 QG2 VAL 102 - HD2 LYS 13 far 0 90 0 - 7.6-9.4 QD1 LEU 51 - HD3 LYS 13 far 0 100 0 - 7.8-9.2 HG LEU 15 - HD2 LYS 13 far 0 92 0 - 7.8-9.9 QG1 VAL 69 - HD2 LYS 13 far 0 75 0 - 7.8-9.1 HG LEU 15 - HD3 LYS 13 far 0 92 0 - 8.3-10.2 QG2 VAL 102 - HD3 LYS 13 far 0 90 0 - 8.5-9.4 QD1 LEU 51 - HD2 LYS 13 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 8800 from cnoeabs.peaks (0.20, 1.48, 28.30 ppm; 5.19 A increased from 4.61 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 24 + HD3 LYS 13 OK 100 100 100 100 3.2-5.4 8802/3.0=80, 8807/3.0=73...(9) QB ALA 24 + HD2 LYS 13 OK 100 100 100 100 4.6-5.2 8802/3.0=80, 8807/3.0=73...(8) QG1 VAL 102 - HD2 LYS 13 poor 18 79 50 45 5.6-7.3 8795/3.8=19, 8793/5.8=18...(6) QG1 VAL 102 - HD3 LYS 13 far 0 79 0 - 6.6-7.3 Violated in 0 structures by 0.00 A. Peak 8801 from cnoeabs.peaks (0.86, 2.60, 41.15 ppm; 3.82 A increased from 3.60 A): 1 out of 10 assignments used, quality = 0.99: QG1 VAL 103 + HE2 LYS 13 OK 99 100 100 99 2.8-3.8 10832=83, 8806/1.8=56...(16) QG2 VAL 103 - HE2 LYS 13 far 0 75 0 - 4.7-6.1 QD1 LEU 109 - HE2 LYS 13 far 0 88 0 - 5.6-13.6 HG LEU 15 - HE2 LYS 13 far 0 88 0 - 6.4-8.2 QG2 ILE 11 - HE2 LYS 13 far 0 98 0 - 6.8-7.4 QD1 LEU 12 - HE2 LYS 13 far 0 94 0 - 7.5-8.2 QG2 VAL 25 - HE2 LYS 13 far 0 95 0 - 7.7-8.2 QG2 VAL 102 - HE2 LYS 13 far 0 85 0 - 8.9-9.7 QD1 LEU 51 - HE2 LYS 13 far 0 100 0 - 8.9-9.6 QG1 VAL 69 - HE2 LYS 13 far 0 81 0 - 9.2-10.0 Violated in 3 structures by 0.00 A. Peak 8802 from cnoeabs.peaks (0.20, 2.60, 41.15 ppm; 4.39 A increased from 4.14 A): 1 out of 2 assignments used, quality = 0.98: QB ALA 24 + HE2 LYS 13 OK 98 100 100 99 4.1-4.3 8807/1.8=65, 10316=58...(9) QG1 VAL 102 - HE2 LYS 13 far 0 90 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. Peak 8803 from cnoeabs.peaks (0.77, 1.15, 23.43 ppm; 4.37 A increased from 4.12 A): 2 out of 14 assignments used, quality = 0.96: QD1 ILE 11 + HG2 LYS 13 OK 82 100 100 82 3.9-4.5 187/8757=30, 8804/3.0=27...(10) QD1 ILE 11 + HG3 LYS 13 OK 77 100 90 85 3.9-5.2 187/8757=29, 8804/3.0=27...(12) QD2 LEU 109 - HG2 LYS 13 far 0 96 0 - 6.4-15.4 QD2 LEU 109 - HG3 LYS 13 far 0 96 0 - 6.4-15.0 QD2 LEU 36 - HG3 LYS 13 far 0 91 0 - 7.5-9.1 QD2 LEU 36 - HG2 LYS 13 far 0 91 0 - 7.5-9.1 QG2 VAL 69 - HG2 LYS 13 far 0 99 0 - 7.6-9.3 QG2 ILE 23 - HG2 LYS 13 far 0 70 0 - 7.7-8.6 QD1 ILE 23 - HG2 LYS 13 far 0 96 0 - 8.0-9.3 QG2 VAL 69 - HG3 LYS 13 far 0 99 0 - 8.0-9.2 QG2 ILE 23 - HG3 LYS 13 far 0 70 0 - 8.0-8.3 QD1 ILE 23 - HG3 LYS 13 far 0 96 0 - 8.3-9.0 QG2 ILE 28 - HG2 LYS 13 far 0 98 0 - 9.1-9.5 QG2 ILE 28 - HG3 LYS 13 far 0 98 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 8804 from cnoeabs.peaks (0.77, 1.48, 28.30 ppm; 4.96 A increased from 4.41 A): 2 out of 14 assignments used, quality = 0.97: QD1 ILE 11 + HD2 LYS 13 OK 83 100 100 83 4.0-5.3 8803/3.0=40, 8803/3.0=37...(12) QD1 ILE 11 + HD3 LYS 13 OK 81 100 95 85 3.2-5.7 8803/3.0=40, 8803/3.0=37...(11) QD2 LEU 109 - HD2 LYS 13 far 5 96 5 - 4.5-14.6 QD2 LEU 109 - HD3 LYS 13 far 5 96 5 - 4.6-15.3 QD2 LEU 36 - HD3 LYS 13 far 0 91 0 - 8.2-9.2 QG2 ILE 23 - HD3 LYS 13 far 0 70 0 - 8.3-10.0 QD2 LEU 36 - HD2 LYS 13 far 0 91 0 - 8.4-10.2 QG2 ILE 28 - HD3 LYS 13 far 0 98 0 - 8.4-10.2 QG2 ILE 23 - HD2 LYS 13 far 0 70 0 - 8.8-9.9 QG2 ILE 28 - HD2 LYS 13 far 0 98 0 - 8.8-10.2 QD1 ILE 23 - HD3 LYS 13 far 0 96 0 - 8.9-10.5 QG2 VAL 69 - HD3 LYS 13 far 0 99 0 - 9.2-10.0 QG2 VAL 69 - HD2 LYS 13 far 0 99 0 - 9.4-10.5 QD1 ILE 23 - HD2 LYS 13 far 0 96 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 8806 from cnoeabs.peaks (0.85, 2.48, 41.15 ppm; 3.96 A increased from 3.72 A): 2 out of 16 assignments used, quality = 0.94: QG1 VAL 103 + HE3 LYS 13 OK 93 94 100 99 2.1-4.1 8801/1.8=76, 10833=45...(16) QG1 VAL 69 + HB2 ASP 65 OK 20 39 95 55 4.1-4.7 8852/3.0=26, ~9800=20...(6) QD1 LEU 109 - HE3 LYS 13 far 0 98 0 - 5.5-14.3 QG1 VAL 6 - HB2 ASP 65 far 0 75 0 - 6.2-9.4 QG2 ILE 11 - HE3 LYS 13 far 0 100 0 - 6.2-7.6 QG2 VAL 25 - HB2 ASP 65 far 0 77 0 - 6.3-7.2 QG2 VAL 6 - HB2 ASP 65 far 0 71 0 - 6.7-9.3 QG2 VAL 25 - HE3 LYS 13 far 0 100 0 - 6.9-8.7 QD1 LEU 51 - HB2 ASP 65 far 0 77 0 - 6.9-8.2 HG LEU 15 - HE3 LYS 13 far 0 98 0 - 6.9-9.0 QD1 LEU 12 - HE3 LYS 13 far 0 100 0 - 7.2-8.8 QD1 LEU 51 - HE3 LYS 13 far 0 100 0 - 7.8-9.8 QG2 ILE 11 - HB2 ASP 65 far 0 78 0 - 8.1-8.4 QG2 VAL 102 - HE3 LYS 13 far 0 97 0 - 8.5-10.3 QG1 VAL 69 - HE3 LYS 13 far 0 59 0 - 8.8-10.2 QD1 LEU 12 - HB2 ASP 65 far 0 76 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 8807 from cnoeabs.peaks (0.20, 2.48, 41.15 ppm; 4.91 A increased from 4.62 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 24 + HE3 LYS 13 OK 100 100 100 100 3.1-5.0 8802/1.8=90, 10315=50...(9) QG1 VAL 102 - HE3 LYS 13 far 0 85 0 - 6.2-8.1 Violated in 1 structures by 0.00 A. Peak 8809 from cnoeabs.peaks (0.22, 1.12, 36.50 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 102 + HB VAL 14 OK 100 100 100 100 1.8-2.2 8527/2.1=100, 8528=97...(13) QB ALA 24 - HB VAL 14 far 0 88 0 - 6.2-7.0 HG2 LYS 98 - HB VAL 14 far 0 77 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 8812 from cnoeabs.peaks (0.83, 0.50, 23.02 ppm; 2.63 A): 2 out of 12 assignments used, quality = 0.88: QD1 LEU 12 + QG2 VAL 14 OK 67 98 95 72 2.9-3.5 2.1/8070=28...(13) QG2 ILE 23 + QG2 VAL 14 OK 63 75 100 84 2.3-2.6 8140=34, 3.2/8084=21...(15) QG2 VAL 102 - QG2 VAL 14 far 15 100 15 - 3.1-3.3 QG1 VAL 103 - QG2 VAL 14 far 0 63 0 - 4.4-6.0 QG2 VAL 25 - QG2 VAL 14 far 0 98 0 - 5.5-5.8 QD1 LEU 51 - QG2 VAL 14 far 0 88 0 - 6.6-7.0 QG2 ILE 11 - QG2 VAL 14 far 0 95 0 - 6.6-6.9 HG LEU 15 - QG2 VAL 14 far 0 100 0 - 7.0-7.2 QD1 LEU 17 - QG2 VAL 14 far 0 100 0 - 7.2-7.9 HD2 LYS 98 - QG2 VAL 14 far 0 71 0 - 7.9-9.7 QD2 LEU 17 - QG2 VAL 14 far 0 99 0 - 8.4-8.7 QD1 LEU 109 - QG2 VAL 14 far 0 100 0 - 8.4-13.6 Violated in 0 structures by 0.00 A. Peak 8813 from cnoeabs.peaks (5.16, 0.50, 23.02 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.84: HA LYS 13 + QG2 VAL 14 OK 84 100 100 84 4.1-4.3 6129/352=65, 2.9/8792=44...(5) Violated in 0 structures by 0.00 A. Peak 8814 from cnoeabs.peaks (5.50, 0.95, 22.15 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.98: HA ILE 23 + QG1 VAL 14 OK 98 99 100 99 3.7-4.3 8084/2.1=78, 8829/363=46...(12) HA ILE 23 - QG1 VAL 25 far 0 49 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 8815 from cnoeabs.peaks (8.44, 0.50, 23.02 ppm; 3.99 A): 0 out of 5 assignments used, quality = 0.00: H ALA 22 - QG2 VAL 14 far 0 92 0 - 5.5-5.8 H ASN 78 - QG2 VAL 14 far 0 96 0 - 6.3-6.5 H THR 74 - QG2 VAL 14 far 0 63 0 - 6.3-6.5 H TRP 48 - QG2 VAL 14 far 0 88 0 - 7.3-7.7 H ASP 82 - QG2 VAL 14 far 0 87 0 - 9.5-9.8 Violated in 20 structures by 0.97 A. Peak 8816 from cnoeabs.peaks (7.70, 0.50, 23.02 ppm; 5.18 A): 1 out of 5 assignments used, quality = 0.81: HE3 TRP 16 + QG2 VAL 14 OK 81 96 100 84 4.8-5.2 8839/2.1=43, ~8840=27...(7) QD PHE 79 - QG2 VAL 14 far 0 99 0 - 5.9-7.0 H TYR 39 - QG2 VAL 14 far 0 96 0 - 8.7-9.6 H LEU 51 - QG2 VAL 14 far 0 100 0 - 8.9-9.4 H VAL 69 - QG2 VAL 14 far 0 98 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 8817 from cnoeabs.peaks (7.29, 0.50, 23.02 ppm; 4.61 A increased from 4.09 A): 2 out of 7 assignments used, quality = 0.97: QE PHE 104 + QG2 VAL 14 OK 92 92 100 100 4.0-4.5 11228/2.1=85...(12) QD PHE 99 + QG2 VAL 14 OK 68 99 70 99 4.7-5.4 8844/10303=76...(8) H PHE 99 - QG2 VAL 14 far 0 70 0 - 6.9-7.9 QE PHE 79 - QG2 VAL 14 far 0 96 0 - 7.0-8.6 HE3 TRP 80 - QG2 VAL 14 far 0 99 0 - 7.5-7.9 H ASN 20 - QG2 VAL 14 far 0 92 0 - 9.8-10.1 HH2 TRP 42 - QG2 VAL 14 far 0 96 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 8818 from cnoeabs.peaks (7.20, 0.50, 23.02 ppm; 5.34 A increased from 5.02 A): 1 out of 2 assignments used, quality = 0.82: QD PHE 104 + QG2 VAL 14 OK 82 82 100 100 4.7-5.2 ~11228=72, 11227/2.1=67...(11) HZ3 TRP 80 - QG2 VAL 14 far 0 95 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 8819 from cnoeabs.peaks (8.81, 0.50, 23.02 ppm; 4.68 A increased from 4.40 A): 2 out of 3 assignments used, quality = 0.99: H ILE 23 + QG2 VAL 14 OK 97 99 100 99 4.7-5.3 3.0/8084=74...(7) H LYS 13 + QG2 VAL 14 OK 60 61 100 98 4.3-4.7 2.9/8813=71, 4.6/352=57...(10) H GLU 101 - QG2 VAL 14 far 0 59 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 8821 from cnoeabs.peaks (6.84, 0.12, 23.78 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.91: HZ PHE 41 + QD1 LEU 15 OK 91 98 100 93 3.4-4.3 8824/2.1=58, 2.2/8102=53...(7) HD1 TRP 42 - QD1 LEU 15 far 0 96 0 - 8.1-9.1 HZ2 TRP 80 - QD1 LEU 15 far 0 68 0 - 9.4-10.3 Violated in 1 structures by 0.00 A. Peak 8822 from cnoeabs.peaks (6.60, 0.12, 23.78 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 39 + QD1 LEU 15 OK 100 100 100 100 2.4-2.8 2.2/8101=69, 8825/2.1=65...(14) Violated in 0 structures by 0.00 A. Peak 8823 from cnoeabs.peaks (6.93, 0.44, 23.32 ppm; 4.29 A): 2 out of 6 assignments used, quality = 0.90: H LEU 17 + QD2 LEU 15 OK 82 99 100 83 3.3-3.8 466/11251=45, 4.6/411=42...(5) QE PHE 41 + QD2 LEU 15 OK 46 63 75 97 4.5-4.9 2.2/8824=59, 8102/2.1=54...(10) HD22 ASN 108 - QD2 LEU 15 far 9 85 10 - 3.7-14.0 HZ PHE 99 - HG3 LYS 98 far 4 38 10 - 3.4-6.6 QD PHE 41 - QD2 LEU 15 far 0 79 0 - 5.8-6.2 HE22 GLN 19 - QD2 LEU 15 far 0 100 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 8824 from cnoeabs.peaks (6.83, 0.44, 23.32 ppm; 4.88 A increased from 4.59 A): 1 out of 5 assignments used, quality = 0.99: HZ PHE 41 + QD2 LEU 15 OK 99 100 100 99 4.6-4.7 8821/2.1=87...(8) HZ PHE 104 - HG3 LYS 98 far 1 29 5 - 5.4-7.6 HZ2 TRP 80 - QD2 LEU 15 far 0 82 0 - 7.8-8.5 HD1 TRP 42 - QD2 LEU 15 far 0 99 0 - 7.9-8.5 HZ PHE 104 - QD2 LEU 15 far 0 88 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 8825 from cnoeabs.peaks (6.61, 0.44, 23.32 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 39 + QD2 LEU 15 OK 100 100 100 100 4.5-4.9 2.2/8104=88, 8822/2.1=86...(15) Violated in 0 structures by 0.00 A. Peak 8830 from cnoeabs.peaks (3.81, 0.12, 23.78 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.99: HB3 SER 105 + QD1 LEU 15 OK 98 100 100 99 3.9-4.6 10253/2.1=71...(8) HB2 SER 105 + QD1 LEU 15 OK 23 100 25 93 4.9-5.7 ~10253=52, 1.8/8535=48...(7) HB3 SER 107 - QD1 LEU 15 far 3 68 5 - 3.7-12.9 HB3 TRP 16 - QD1 LEU 15 far 0 68 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 8832 from cnoeabs.peaks (0.96, 3.13, 29.83 ppm; 5.41 A increased from 5.10 A): 1 out of 3 assignments used, quality = 0.99: QG1 VAL 14 + HB2 TRP 16 OK 99 99 100 99 5.0-5.3 8833/3.0=86, 8834/1.8=68...(8) HB2 LEU 15 - HB2 TRP 16 far 0 100 0 - 7.1-7.3 QG1 VAL 76 - HB2 TRP 16 far 0 96 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 8833 from cnoeabs.peaks (0.97, 4.71, 56.06 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.75: QG1 VAL 14 + HA TRP 16 OK 75 93 100 81 3.5-3.6 8832/3.0=37, 6159/2.9=27...(7) QG1 VAL 76 - HA TRP 16 far 0 84 0 - 5.5-5.6 HB2 LEU 15 - HA TRP 16 far 0 99 0 - 6.0-6.0 Violated in 0 structures by 0.00 A. Peak 8834 from cnoeabs.peaks (0.93, 3.78, 29.83 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.94: QG1 VAL 14 + HB3 TRP 16 OK 94 96 100 97 3.7-4.0 11228/8838=58...(10) QG1 VAL 76 - HB3 TRP 16 far 0 99 0 - 5.8-6.5 HB2 LEU 15 - HB3 TRP 16 far 0 87 0 - 6.6-6.7 QG2 VAL 103 - HB3 TRP 16 far 0 61 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 8838 from cnoeabs.peaks (7.29, 3.78, 29.83 ppm; 4.68 A): 1 out of 6 assignments used, quality = 0.87: QE PHE 104 + HB3 TRP 16 OK 87 93 100 93 4.2-4.8 11228/8834=47...(9) QE PHE 79 - HB3 TRP 16 far 0 97 0 - 7.3-9.6 QD PHE 99 - HB3 TRP 16 far 0 99 0 - 8.0-8.9 H ASN 20 - HB3 TRP 16 far 0 93 0 - 8.7-9.9 H PHE 99 - HB3 TRP 16 far 0 68 0 - 9.8-10.7 HE3 TRP 80 - HB3 TRP 16 far 0 99 0 - 9.9-11.3 Violated in 3 structures by 0.01 A. Peak 8839 from cnoeabs.peaks (0.94, 7.68, 119.93 ppm; 4.48 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 76 + HE3 TRP 16 OK 98 100 100 98 3.8-4.2 9915/2.5=90, 8483=29...(10) QG1 VAL 14 + HE3 TRP 16 OK 97 100 100 97 2.4-2.8 2.1/8816=56, 8834/4.2=42...(11) HB2 LEU 15 - HE3 TRP 16 far 0 98 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 8840 from cnoeabs.peaks (0.96, 7.44, 121.04 ppm; 5.06 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 76 + HZ3 TRP 16 OK 96 96 100 100 2.7-3.1 9915=94, 8500/8884=76...(9) QG1 VAL 14 + HZ3 TRP 16 OK 95 99 100 96 2.8-3.6 ~8816=50, 8839/2.5=40...(10) HB2 LEU 15 - HZ3 TRP 16 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 8843 from cnoeabs.peaks (7.32, 1.86, 42.84 ppm; 5.01 A): 1 out of 6 assignments used, quality = 0.98: H ASN 20 + HB2 LEU 17 OK 98 98 100 100 2.3-2.7 6237/1.8=98, 8115=96...(8) QE PHE 104 - HB3 LEU 12 far 0 84 0 - 7.3-8.1 QD PHE 99 - HB3 LEU 12 far 0 74 0 - 7.3-7.8 HE3 TRP 80 - HB2 LEU 17 far 0 90 0 - 8.4-9.4 HH2 TRP 16 - HB2 LEU 17 far 0 71 0 - 9.5-10.8 HE22 GLN 81 - HB2 LEU 17 far 0 99 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 8844 from cnoeabs.peaks (7.29, 0.84, 22.53 ppm; 3.35 A): 1 out of 7 assignments used, quality = 0.80: QD PHE 99 + QG2 VAL 102 OK 80 81 100 98 2.5-3.2 2.7/10164=41...(18) QE PHE 104 - QG2 VAL 102 far 7 72 10 - 3.9-4.5 H ASN 20 - QD2 LEU 17 far 0 92 0 - 4.0-4.4 H PHE 99 - QG2 VAL 102 far 0 52 0 - 4.3-5.2 QE PHE 79 - QG2 VAL 102 far 0 77 0 - 7.2-8.1 QE PHE 104 - QD2 LEU 17 far 0 92 0 - 9.2-9.9 HE3 TRP 80 - QD2 LEU 17 far 0 99 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 8845 from cnoeabs.peaks (9.17, 0.84, 22.53 ppm; 5.59 A increased from 4.97 A): 3 out of 4 assignments used, quality = 0.99: H TRP 16 + QD2 LEU 17 OK 91 100 100 91 5.3-6.0 4.6/482=71, 4.9/10210=48...(4) H LEU 12 + QG2 VAL 102 OK 74 80 100 93 5.0-5.4 8067/3.2=76...(3) HE1 TRP 80 + QD2 LEU 17 OK 52 77 90 75 5.7-6.6 11124/482=51...(3) H TRP 16 - QG2 VAL 102 far 0 84 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 8847 from cnoeabs.peaks (1.96, 2.74, 41.20 ppm; 5.07 A increased from 4.77 A): 1 out of 4 assignments used, quality = 0.92: HB3 GLN 19 + HB3 ASP 18 OK 92 93 100 99 4.8-5.2 1.8/8850=91, 3.0/8542=48...(9) HB3 GLN 19 - HB2 ASP 18 far 0 93 0 - 6.4-6.8 HB3 GLN 89 - HB2 ASP 18 far 0 99 0 - 7.6-12.6 HB3 GLN 89 - HB3 ASP 18 far 0 100 0 - 8.0-12.5 Violated in 3 structures by 0.02 A. Peak 8848 from cnoeabs.peaks (1.86, 2.74, 41.20 ppm; 4.38 A): 2 out of 5 assignments used, quality = 0.99: HB2 LEU 17 + HB2 ASP 18 OK 93 100 100 93 4.0-5.0 3.0/8853=59, 3.1/8849=42...(7) HB2 LEU 17 + HB3 ASP 18 OK 84 100 90 94 4.5-5.2 ~9001=43, ~8853=41...(8) HB2 GLN 89 - HB2 ASP 18 far 0 100 0 - 5.8-11.0 HB2 GLN 89 - HB3 ASP 18 far 0 100 0 - 6.6-10.8 HB3 GLU 110 - HB2 ASP 18 far 0 69 0 - 9.9-25.7 Violated in 2 structures by 0.01 A. Peak 8849 from cnoeabs.peaks (0.83, 2.74, 41.20 ppm; 3.93 A): 2 out of 9 assignments used, quality = 0.90: QD2 LEU 17 + HB2 ASP 18 OK 79 99 100 80 3.2-4.2 447/8853=46, 3.1/8848=26...(7) QD2 LEU 17 + HB3 ASP 18 OK 50 99 80 63 4.3-4.9 3.1/8848=24, 4.9/500=19...(7) QD1 LEU 109 - HB2 ASP 18 far 0 99 0 - 4.8-20.8 QD1 LEU 17 - HB2 ASP 18 far 0 100 0 - 5.0-6.0 QD1 LEU 17 - HB3 ASP 18 far 0 100 0 - 5.3-6.2 QD1 LEU 109 - HB3 ASP 18 far 0 100 0 - 6.2-22.2 HB2 LYS 84 - HB3 ASP 18 far 0 100 0 - 9.1-10.8 HB2 LYS 84 - HB2 ASP 18 far 0 100 0 - 9.9-12.0 HG LEU 15 - HB2 ASP 18 far 0 99 0 - 10.0-10.8 Violated in 3 structures by 0.01 A. Peak 8850 from cnoeabs.peaks (2.27, 2.74, 41.20 ppm; 4.55 A): 1 out of 6 assignments used, quality = 0.96: HB2 GLN 19 + HB3 ASP 18 OK 96 99 100 96 4.0-4.7 1.8/8847=66, 3.0/8542=44...(9) HB2 GLN 19 - HB2 ASP 18 far 0 99 0 - 5.4-6.1 HG2 GLN 89 - HB3 ASP 18 far 0 87 0 - 6.1-12.1 HG2 GLN 89 - HB2 ASP 18 far 0 87 0 - 6.4-12.5 HG3 GLN 89 - HB3 ASP 18 far 0 70 0 - 6.6-12.1 HG3 GLN 89 - HB2 ASP 18 far 0 69 0 - 7.3-12.3 Violated in 3 structures by 0.02 A. Peak 8851 from cnoeabs.peaks (1.38, 4.55, 57.10 ppm; 4.66 A): 1 out of 8 assignments used, quality = 1.00: QB ALA 64 + HA ASP 65 OK 100 100 100 100 3.7-3.8 4.6=100 QB ALA 64 - HA ASN 68 far 0 40 0 - 5.3-5.4 HD3 LYS 84 - HA ASP 18 far 0 95 0 - 6.1-11.0 HG LEU 17 - HA ASP 18 far 0 95 0 - 6.6-6.7 HG3 LYS 84 - HA ASP 18 far 0 96 0 - 7.2-10.9 HG LEU 83 - HA ASP 18 far 0 77 0 - 8.0-10.7 HB3 LYS 52 - HA ASN 68 far 0 34 0 - 9.8-12.8 HB2 LYS 88 - HA ASP 18 far 0 91 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 8852 from cnoeabs.peaks (0.86, 4.55, 57.10 ppm; 4.14 A): 2 out of 19 assignments used, quality = 0.93: QD2 LEU 17 + HA ASP 18 OK 77 88 95 92 4.3-5.1 483/8854=41, ~473=27...(11) QG1 VAL 69 + HA ASP 65 OK 68 75 100 90 3.5-3.7 9801=43, 2.1/9800=40...(9) QG1 VAL 69 - HA ASN 68 far 0 25 0 - 5.0-5.0 QD1 LEU 17 - HA ASP 18 far 0 78 0 - 5.8-6.0 QG2 VAL 25 - HA ASP 65 far 0 97 0 - 6.5-6.8 QG2 ILE 67 - HA ASP 65 far 0 59 0 - 6.5-6.8 QD1 LEU 109 - HA ASP 18 far 0 85 0 - 6.5-20.9 QG2 VAL 25 - HA ASN 68 far 0 36 0 - 7.2-7.3 QD1 LEU 12 - HA ASN 68 far 0 36 0 - 7.3-7.6 QG1 VAL 6 - HA ASP 65 far 0 94 0 - 7.4-10.9 QG2 ILE 11 - HA ASP 65 far 0 99 0 - 7.5-7.8 QD1 LEU 51 - HA ASP 65 far 0 100 0 - 7.6-8.1 QG2 VAL 102 - HA ASN 68 far 0 31 0 - 7.7-8.0 HB2 LYS 84 - HA ASP 18 far 0 81 0 - 7.8-10.1 QG2 VAL 6 - HA ASP 65 far 0 88 0 - 8.1-10.4 QG2 ILE 11 - HA ASN 68 far 0 38 0 - 8.2-8.6 QD1 LEU 51 - HA ASN 68 far 0 40 0 - 8.6-8.8 QD1 LEU 12 - HA ASP 65 far 0 96 0 - 8.7-9.1 HG LEU 15 - HA ASP 18 far 0 85 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 8853 from cnoeabs.peaks (5.06, 2.74, 41.20 ppm; 4.60 A increased from 3.87 A): 1 out of 2 assignments used, quality = 0.97: HA LEU 17 + HB2 ASP 18 OK 97 100 100 98 4.1-4.8 9001=64, 8854/3.0=61...(6) HA LEU 17 - HB3 ASP 18 far 0 100 0 - 5.3-5.9 Violated in 2 structures by 0.02 A. Peak 8854 from cnoeabs.peaks (5.05, 4.55, 56.94 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.85: HA LEU 17 + HA ASP 18 OK 85 100 100 85 4.3-4.4 8853/3.0=68, 483/8852=33...(4) HA GLN 27 - HA ASP 65 far 0 75 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 8855 from cnoeabs.peaks (8.66, 8.65, 52.28 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 8856 from cnoeabs.peaks (7.64, 4.50, 55.95 ppm; 4.18 A increased from 3.71 A): 2 out of 3 assignments used, quality = 0.94: HE21 GLN 19 + HA GLN 19 OK 91 99 100 92 2.4-4.4 5.1=54, 3.5/533=51...(6) HD21 ASN 20 + HA GLN 19 OK 33 99 40 83 4.2-5.7 ~8858=33, ~8857=33...(6) H LYS 84 - HA GLN 19 far 0 96 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 8857 from cnoeabs.peaks (6.54, 2.26, 29.89 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.97: HD22 ASN 20 + HB2 GLN 19 OK 97 99 100 99 2.4-4.4 8858/1.8=80, 5.7/6234=50...(9) Violated in 0 structures by 0.00 A. Peak 8858 from cnoeabs.peaks (6.55, 1.98, 29.89 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.92: HD22 ASN 20 + HB3 GLN 19 OK 92 93 100 99 3.9-4.8 8857/1.8=79, 5.7/531=46...(10) Violated in 0 structures by 0.00 A. Peak 8865 from cnoeabs.peaks (-0.34, 0.31, 20.01 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 77 + QG1 VAL 21 OK 97 97 100 100 2.9-3.1 9972=96, 3.1/8119=67...(15) Violated in 0 structures by 0.00 A. Peak 8866 from cnoeabs.peaks (0.94, 0.31, 20.01 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 76 + QG1 VAL 21 OK 100 100 100 100 4.1-4.2 8500/2.1=96...(9) QG1 VAL 14 + QG1 VAL 21 OK 58 100 95 61 4.4-4.9 8121/2.1=35, ~8120=25...(5) HB2 LEU 15 - QG1 VAL 21 far 0 96 0 - 6.9-7.5 QG2 THR 74 - QG1 VAL 21 far 0 92 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 8867 from cnoeabs.peaks (1.45, 0.31, 20.01 ppm; 4.60 A increased from 4.33 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 77 + QG1 VAL 21 OK 98 98 100 100 4.8-5.0 2.1/8865=84, 3.0/8119=80...(7) QB ALA 47 + QG1 VAL 21 OK 90 91 100 99 4.3-4.5 9293=89, 8304/9976=62...(8) HG2 PRO 43 - QG1 VAL 21 far 0 73 0 - 6.1-6.7 QB ALA 45 - QG1 VAL 21 far 0 92 0 - 7.5-8.0 HB3 LEU 51 - QG1 VAL 21 far 0 65 0 - 9.3-10.0 HB2 LEU 109 - QG1 VAL 21 far 0 79 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 8868 from cnoeabs.peaks (1.58, 0.31, 20.01 ppm; 4.60 A): 1 out of 6 assignments used, quality = 1.00: HG13 ILE 77 + QG1 VAL 21 OK 100 100 100 100 4.1-4.3 1.8/8119=96, 2.1/9976=88...(9) HG2 ARG 44 - QG1 VAL 21 far 0 100 0 - 6.3-9.2 HB3 LEU 83 - QG1 VAL 21 far 0 91 0 - 6.8-8.4 HG3 ARG 44 - QG1 VAL 21 far 0 100 0 - 7.5-9.1 HB3 LEU 109 - QG1 VAL 21 far 0 88 0 - 9.8-20.7 HB3 LYS 13 - QG1 VAL 21 far 0 90 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 8869 from cnoeabs.peaks (3.15, 0.70, 22.15 ppm; 5.34 A increased from 5.03 A): 1 out of 4 assignments used, quality = 0.97: HB3 TRP 42 + QG2 VAL 21 OK 97 98 100 99 4.9-5.4 8117/2.1=97...(4) HB2 TRP 16 - QG2 VAL 21 far 5 91 5 - 5.5-6.4 HB2 TRP 42 - QG2 VAL 21 far 0 98 0 - 6.3-6.6 HB3 PHE 99 - QG2 VAL 21 far 0 61 0 - 8.3-9.1 Violated in 3 structures by 0.00 A. Peak 8870 from cnoeabs.peaks (3.40, 0.70, 22.15 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 77 + QG2 VAL 21 OK 100 100 100 100 3.1-3.3 8511/2.1=91...(10) HB3 TRP 48 - QG2 VAL 21 far 0 99 0 - 7.6-9.4 HB3 PHE 40 - QG2 VAL 21 far 0 100 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 8871 from cnoeabs.peaks (3.79, 0.70, 22.15 ppm; 5.03 A increased from 4.47 A): 2 out of 8 assignments used, quality = 0.95: HA TRP 80 + QG2 VAL 21 OK 88 88 100 100 4.7-5.1 3.0/11271=67...(12) HB3 TRP 16 + QG2 VAL 21 OK 59 96 65 94 4.8-5.8 3.0/10988=75...(5) HA ALA 73 - QG2 VAL 21 far 0 95 0 - 6.3-6.4 HB2 PHE 79 - QG2 VAL 21 far 0 100 0 - 7.2-7.8 HB3 SER 105 - QG2 VAL 21 far 0 94 0 - 8.1-8.9 HB2 SER 105 - QG2 VAL 21 far 0 95 0 - 8.5-9.9 HA LYS 84 - QG2 VAL 21 far 0 99 0 - 9.2-10.1 HA ARG 44 - QG2 VAL 21 far 0 85 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8872 from cnoeabs.peaks (5.10, 0.31, 20.01 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.97: HA ASN 20 + QG1 VAL 21 OK 97 99 100 98 3.3-3.5 3.6/6267=92...(5) HA ASP 46 - QG1 VAL 21 far 0 73 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 8873 from cnoeabs.peaks (5.08, 0.70, 22.15 ppm; 5.51 A increased from 5.19 A): 2 out of 3 assignments used, quality = 0.89: HA LEU 17 + QG2 VAL 21 OK 72 75 100 96 5.9-6.1 3.0/10865=71, ~8698=46...(5) HA ASN 20 + QG2 VAL 21 OK 61 87 100 70 5.4-5.5 8872/2.1=70 HA VAL 25 - QG2 VAL 21 far 0 87 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 8875 from cnoeabs.peaks (7.29, 0.31, 20.01 ppm; 4.44 A): 1 out of 6 assignments used, quality = 0.97: HE3 TRP 80 + QG1 VAL 21 OK 97 98 100 99 2.5-2.7 4.2/11273=52...(11) H ASN 20 - QG1 VAL 21 far 13 90 15 - 5.0-5.4 HH2 TRP 42 - QG1 VAL 21 far 0 98 0 - 5.7-6.4 QE PHE 104 - QG1 VAL 21 far 0 90 0 - 7.2-7.9 QE PHE 79 - QG1 VAL 21 far 0 95 0 - 7.6-9.0 QD PHE 99 - QG1 VAL 21 far 0 98 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 8876 from cnoeabs.peaks (7.65, 0.31, 20.01 ppm; 6.00 A increased from 5.49 A): 2 out of 5 assignments used, quality = 0.88: HE3 TRP 16 + QG1 VAL 21 OK 69 79 100 87 5.9-6.1 ~8884=78, 8839/8866=20...(4) HD21 ASN 20 + QG1 VAL 21 OK 61 95 100 64 4.5-6.5 4.4/8872=63 QD PHE 79 - QG1 VAL 21 far 10 68 15 - 6.5-7.5 H LYS 84 - QG1 VAL 21 far 0 100 0 - 7.2-7.7 HE21 GLN 19 - QG1 VAL 21 far 0 92 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 8879 from cnoeabs.peaks (9.21, -0.02, 33.22 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.98: HE1 TRP 80 + HB VAL 21 OK 98 99 100 100 3.1-3.4 10519=92, 10520/2.1=76...(4) H TRP 16 - HB VAL 21 far 0 59 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 8880 from cnoeabs.peaks (9.29, 0.31, 20.01 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.97: H TRP 42 + QG1 VAL 21 OK 97 97 100 100 3.9-4.5 9235=97, 3.8/8117=70...(7) H PHE 41 - QG1 VAL 21 far 0 91 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 8881 from cnoeabs.peaks (8.88, 0.70, 22.15 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: H TRP 80 + QG2 VAL 21 OK 99 100 100 99 4.4-4.7 10001/8500=54...(10) H LEU 15 + QG2 VAL 21 OK 85 97 100 87 3.3-3.9 8820/10864=51...(4) H SER 105 - QG2 VAL 21 far 0 96 0 - 7.4-8.1 H LYS 13 - QG2 VAL 21 far 0 84 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 8882 from cnoeabs.peaks (9.23, 0.70, 22.15 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.82: HE1 TRP 80 + QG2 VAL 21 OK 82 82 100 100 4.4-4.7 10520=82, 10519/2.1=72...(10) Violated in 0 structures by 0.00 A. Peak 8884 from cnoeabs.peaks (7.44, 0.70, 22.15 ppm; 4.35 A): 1 out of 4 assignments used, quality = 0.91: HZ3 TRP 16 + QG2 VAL 21 OK 91 100 100 91 3.4-4.2 9915/8500=78...(7) HZ2 TRP 16 - QG2 VAL 21 far 0 81 0 - 5.8-6.7 HE22 GLN 89 - QG2 VAL 21 far 0 99 0 - 9.1-15.8 H VAL 25 - QG2 VAL 21 far 0 100 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 8885 from cnoeabs.peaks (7.31, 0.70, 22.15 ppm; 4.67 A): 2 out of 8 assignments used, quality = 0.99: HE3 TRP 80 + QG2 VAL 21 OK 98 100 100 98 4.4-4.6 8875/2.1=71...(8) QE PHE 104 + QG2 VAL 21 OK 31 100 45 68 5.0-5.7 9916/8500=37...(5) H ASN 20 - QG2 VAL 21 far 0 100 0 - 5.9-6.1 QE PHE 79 - QG2 VAL 21 far 0 100 0 - 6.5-8.2 QD PHE 99 - QG2 VAL 21 far 0 100 0 - 6.8-7.2 HH2 TRP 42 - QG2 VAL 21 far 0 77 0 - 7.7-8.4 HE22 GLN 81 - QG2 VAL 21 far 0 82 0 - 7.9-10.2 HZ3 TRP 42 - QG2 VAL 21 far 0 77 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 8886 from cnoeabs.peaks (9.31, 5.61, 47.96 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: H PHE 41 + HA ALA 22 OK 99 100 100 100 4.4-4.9 3.0/8133=76, 8285/2.1=61...(8) H TRP 42 + HA ALA 22 OK 96 98 100 98 3.2-3.6 9236/2.1=71...(8) Violated in 0 structures by 0.00 A. Peak 8887 from cnoeabs.peaks (8.90, 0.13, 21.17 ppm; 3.99 A increased from 3.75 A): 1 out of 4 assignments used, quality = 0.98: H LEU 15 + QB ALA 22 OK 98 100 100 98 3.6-3.9 4.0/8128=54, 4.0/8127=54...(10) H ALA 24 - QB ALA 22 far 0 90 0 - 5.5-5.6 H SER 105 - QB ALA 22 far 0 70 0 - 7.5-8.1 H TRP 80 - QB ALA 22 far 0 96 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8888 from cnoeabs.peaks (9.32, 0.13, 21.17 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: H PHE 41 + QB ALA 22 OK 98 99 100 99 3.5-3.9 3.0/8132=66...(11) H TRP 42 + QB ALA 22 OK 93 95 100 98 3.5-3.8 9236=61, 3.6/8132=57...(9) Violated in 0 structures by 0.00 A. Peak 8889 from cnoeabs.peaks (7.71, 0.13, 21.17 ppm; 5.14 A increased from 4.84 A): 1 out of 3 assignments used, quality = 1.00: H TYR 39 + QB ALA 22 OK 100 100 100 100 5.0-5.2 3.0/9200=86, 4.0/8129=81...(6) HE3 TRP 16 - QB ALA 22 far 0 77 0 - 6.9-7.8 H LEU 51 - QB ALA 22 far 0 96 0 - 8.6-8.9 Violated in 3 structures by 0.00 A. Peak 8890 from cnoeabs.peaks (6.36, 0.13, 21.17 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 39 + QB ALA 22 OK 99 99 100 100 3.9-4.4 2.2/8134=92, 4.4/8129=58...(9) HE21 GLN 50 - QB ALA 22 far 0 98 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 8891 from cnoeabs.peaks (6.89, 5.61, 47.96 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 41 + HA ALA 22 OK 99 99 100 100 4.3-4.9 8135/2.1=77, 3.7/8133=77...(10) H LEU 17 - HA ALA 22 far 0 77 0 - 6.5-7.4 HH2 TRP 80 - HA ALA 22 far 0 96 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 8896 from cnoeabs.peaks (9.05, 5.50, 58.37 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.89: H PHE 40 + HA ILE 23 OK 89 89 100 100 4.6-4.8 8562/3.0=79, 9212/4.0=54...(10) Violated in 0 structures by 0.00 A. Peak 8898 from cnoeabs.peaks (7.29, 0.80, 17.01 ppm; 5.73 A): 3 out of 19 assignments used, quality = 0.96: QE PHE 79 + QG2 ILE 90 OK 76 76 100 99 4.0-4.9 10685/3.2=92...(10) HE22 GLN 86 + QG2 ILE 90 OK 69 82 95 89 5.9-6.4 10049/10570=83...(5) HZ PHE 79 + QG2 ILE 90 OK 49 50 100 98 3.6-4.8 ~10685=71, ~10509=63...(8) QE PHE 10 - QG2 ILE 28 far 0 54 0 - 6.5-6.5 QE PHE 104 - QG2 ILE 23 far 0 85 0 - 6.5-7.2 HE3 TRP 80 - QG2 ILE 23 far 0 96 0 - 6.6-6.9 HH2 TRP 60 - QG2 ILE 28 far 0 67 0 - 7.0-7.4 QD PHE 99 - QG2 ILE 23 far 0 96 0 - 7.3-7.7 QD PHE 99 - QG2 ILE 90 far 0 81 0 - 7.4-9.2 HH2 TRP 42 - QG2 ILE 23 far 0 99 0 - 7.5-8.0 QE PHE 104 - QG2 ILE 90 far 0 69 0 - 7.7-8.7 HE3 TRP 48 - QG2 ILE 23 far 0 97 0 - 7.8-8.3 HZ PHE 10 - QG2 ILE 28 far 0 57 0 - 7.9-8.0 H PHE 99 - QG2 ILE 90 far 0 63 0 - 8.5-10.0 HE3 TRP 60 - QG2 ILE 28 far 0 85 0 - 8.7-8.9 QE PHE 79 - QG2 ILE 23 far 0 92 0 - 8.9-10.1 H ASN 20 - QG2 ILE 23 far 0 85 0 - 8.9-9.0 HZ2 TRP 48 - QG2 ILE 23 far 0 70 0 - 9.0-9.3 H PHE 99 - QG2 ILE 23 far 0 79 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 8902 from cnoeabs.peaks (7.12, 1.72, 25.35 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: QD PHE 40 + HG12 ILE 23 OK 100 100 100 100 2.0-3.0 9218=79, 8904/2.1=79...(17) HZ PHE 40 - HG LEU 55 far 0 50 0 - 5.4-7.2 HZ PHE 40 - HG12 ILE 23 far 0 71 0 - 6.1-7.2 QD PHE 40 - HG LEU 55 far 0 80 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 8903 from cnoeabs.peaks (7.13, 1.23, 25.35 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 40 + HG13 ILE 23 OK 100 100 100 100 3.0-4.0 8902/1.8=82, 8904/2.1=78...(13) HZ PHE 40 - HG13 ILE 23 far 0 57 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 8904 from cnoeabs.peaks (7.11, 0.75, 13.70 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.98: QD PHE 40 + QD1 ILE 23 OK 98 99 100 100 3.0-3.7 8902/2.1=63, 2.5/8917=59...(21) HZ PHE 40 - QD1 ILE 23 far 0 85 0 - 6.2-7.1 HH2 TRP 48 - QD1 ILE 23 far 0 61 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 8905 from cnoeabs.peaks (9.07, 1.23, 25.35 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: H PHE 40 + HG13 ILE 23 OK 100 100 100 100 3.7-4.0 9212/1.8=85, 8281=81...(10) Violated in 0 structures by 0.00 A. Peak 8906 from cnoeabs.peaks (9.08, 1.72, 25.35 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.98: H PHE 40 + HG12 ILE 23 OK 98 98 100 100 3.4-3.6 9212=98, 8905/1.8=80...(14) H PHE 40 - HG LEU 55 far 0 75 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8907 from cnoeabs.peaks (7.69, 0.75, 13.70 ppm; 4.74 A): 1 out of 6 assignments used, quality = 1.00: H LEU 51 + QD1 ILE 23 OK 100 100 100 100 3.7-3.9 1474/8144=77...(10) H VAL 69 - QD1 ILE 11 far 0 94 0 - 7.8-8.8 H TYR 39 - QD1 ILE 23 far 0 92 0 - 8.2-8.4 H VAL 69 - QD1 ILE 23 far 0 99 0 - 8.5-8.8 HE3 TRP 16 - QD1 ILE 23 far 0 99 0 - 9.3-9.5 QD PHE 79 - QD1 ILE 23 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 8908 from cnoeabs.peaks (8.20, 0.77, 13.56 ppm; 5.32 A increased from 4.48 A): 2 out of 6 assignments used, quality = 1.00: H VAL 29 + QD1 ILE 11 OK 99 100 100 99 4.8-5.1 8181/11213=74...(8) H PHE 10 + QD1 ILE 11 OK 87 87 100 100 4.4-5.4 8042/2.1=81, 4.7/6092=70...(15) HE3 TRP 42 - QD1 ILE 23 poor 19 62 60 52 5.7-6.1 9968/8546=28...(3) H LEU 70 - QD1 ILE 23 far 0 79 0 - 6.8-7.1 H PHE 79 - QD1 ILE 23 far 0 55 0 - 8.5-8.7 H LEU 70 - QD1 ILE 11 far 0 87 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 8909 from cnoeabs.peaks (5.61, 1.72, 25.35 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 22 + HG12 ILE 23 OK 100 100 100 100 5.2-5.4 8910/1.8=86, 8911/3.2=85...(8) HA TRP 42 - HG12 ILE 23 far 0 100 0 - 8.4-8.9 Violated in 4 structures by 0.00 A. Peak 8910 from cnoeabs.peaks (5.61, 1.23, 25.35 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 22 + HG13 ILE 23 OK 100 100 100 100 4.0-4.1 6281/635=84, 8911/624=83...(9) HA TRP 42 - HG13 ILE 23 far 0 99 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 8911 from cnoeabs.peaks (5.61, 0.80, 17.01 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.97: HA ALA 22 + QG2 ILE 23 OK 97 100 100 97 3.5-3.6 6281/6285=59, 5.0/620=47...(9) HA TRP 42 - QG2 ILE 23 far 0 99 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 8912 from cnoeabs.peaks (3.81, 0.80, 17.01 ppm; 3.70 A): 2 out of 14 assignments used, quality = 0.97: HA ALA 73 + QG2 ILE 23 OK 96 100 100 96 3.5-3.7 8919/646=51, 2.1/8931=48...(11) HA3 GLY 32 + QG2 ILE 28 OK 29 66 95 47 4.0-5.1 9068/6369=22...(3) HA TRP 80 - QG2 ILE 90 far 0 55 0 - 6.6-7.2 HA LYS 84 - QG2 ILE 90 far 0 88 0 - 7.7-8.9 HB3 TRP 16 - QG2 ILE 23 far 0 82 0 - 7.8-8.5 HA LYS 98 - QG2 ILE 90 far 0 87 0 - 7.8-9.4 HA TRP 80 - QG2 ILE 23 far 0 70 0 - 7.9-8.2 HB2 PHE 79 - QG2 ILE 90 far 0 80 0 - 8.3-9.1 HB3 TRP 16 - QG2 ILE 90 far 0 66 0 - 8.3-9.4 HB2 PHE 79 - QG2 ILE 23 far 0 96 0 - 8.4-9.1 HA3 GLY 97 - QG2 ILE 90 far 0 50 0 - 8.5-9.5 HB3 SER 105 - QG2 ILE 23 far 0 100 0 - 9.0-9.7 HB2 SER 105 - QG2 ILE 23 far 0 100 0 - 9.4-11.0 HA ARG 44 - QG2 ILE 23 far 0 65 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8913 from cnoeabs.peaks (3.42, 0.80, 17.01 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.90: HA ILE 77 + QG2 ILE 23 OK 88 91 100 97 4.0-4.3 8870/11149=62...(7) HB3 TRP 48 + QG2 ILE 23 OK 20 85 25 94 4.5-6.3 4.0/11154=57...(6) HB3 PHE 40 - QG2 ILE 23 far 0 90 0 - 5.4-5.8 HA GLN 49 - QG2 ILE 23 far 0 59 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 8914 from cnoeabs.peaks (3.41, 1.72, 25.35 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.97: HB3 PHE 40 + HG12 ILE 23 OK 97 97 100 100 4.2-4.6 1.8/8915=85, 2.5/8902=80...(14) HB3 TRP 48 - HG12 ILE 23 far 0 95 0 - 5.9-7.4 HA ILE 77 - HG12 ILE 23 far 0 98 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 8915 from cnoeabs.peaks (2.67, 1.72, 25.35 ppm; 4.62 A): 1 out of 4 assignments used, quality = 0.98: HB2 PHE 40 + HG12 ILE 23 OK 98 99 100 100 2.6-3.0 2.5/8902=74, 1.8/8914=73...(16) HB3 PHE 10 - HG LEU 55 far 0 74 0 - 6.5-6.9 HB3 ASP 65 - HG LEU 55 far 0 67 0 - 7.2-8.4 HB2 PHE 40 - HG LEU 55 far 0 76 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 8916 from cnoeabs.peaks (2.68, 1.23, 25.35 ppm; 5.10 A): 1 out of 4 assignments used, quality = 0.96: HB2 PHE 40 + HG13 ILE 23 OK 96 96 100 100 2.4-2.8 8915/1.8=90, 2.5/8903=82...(15) HB2 ASN 87 - HG2 LYS 88 poor 14 41 50 67 5.0-6.3 3383/4.9=57, ~10062=22 HB2 ASP 82 - HG2 LYS 88 poor 14 45 30 - 4.7-7.5 HE2 LYS 84 - HG2 LYS 88 far 0 39 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 8917 from cnoeabs.peaks (2.65, 0.75, 13.70 ppm; 4.51 A): 1 out of 7 assignments used, quality = 0.99: HB2 PHE 40 + QD1 ILE 23 OK 99 99 100 100 3.3-3.6 2.5/8904=77...(16) HB3 PHE 10 - QD1 ILE 11 far 5 95 5 - 4.1-5.7 HG3 GLN 72 - QD1 ILE 23 far 0 91 0 - 6.6-7.0 HB3 ASP 65 - QD1 ILE 11 far 0 95 0 - 8.6-10.1 HG3 GLN 72 - QD1 ILE 11 far 0 83 0 - 8.7-9.1 HB3 GLN 81 - QD1 ILE 23 far 0 85 0 - 9.4-10.7 HB3 PHE 10 - QD1 ILE 23 far 0 100 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 8918 from cnoeabs.peaks (3.40, 0.75, 13.70 ppm; 4.28 A increased from 4.03 A): 2 out of 3 assignments used, quality = 1.00: HB3 PHE 40 + QD1 ILE 23 OK 99 99 100 100 4.3-4.6 2.5/8904=71, 1.8/8917=71...(16) HB3 TRP 48 + QD1 ILE 23 OK 97 98 100 99 3.0-4.4 3.0/9318=76...(9) HA ILE 77 - QD1 ILE 23 far 0 99 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 8919 from cnoeabs.peaks (3.81, 0.75, 13.70 ppm; 4.32 A increased from 4.07 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 73 + QD1 ILE 23 OK 100 100 100 100 4.1-4.2 10495=96, 2.1/8493=63...(10) HA3 GLY 32 - QD1 ILE 11 far 0 71 0 - 6.3-6.9 HB2 SER 105 - QD1 ILE 11 far 0 95 0 - 8.6-11.4 HB3 SER 105 - QD1 ILE 11 far 0 94 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8920 from cnoeabs.peaks (5.51, 5.51, 58.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 23 + HA ILE 23 OK 100 100 - 100 Peak 8925 from cnoeabs.peaks (0.50, 5.50, 58.37 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 14 + HA ILE 23 OK 100 100 100 100 2.5-3.3 8084=99, 2.1/8814=70...(13) QD2 LEU 51 - HA ILE 23 far 0 88 0 - 5.4-6.0 HG12 ILE 77 - HA ILE 23 far 0 100 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 8926 from cnoeabs.peaks (0.13, 5.50, 58.37 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 22 + HA ILE 23 OK 100 100 100 100 4.1-4.1 4.9=100 QD1 LEU 15 - HA ILE 23 far 0 98 0 - 5.7-6.2 Violated in 0 structures by 0.00 A. Peak 8927 from cnoeabs.peaks (0.21, 5.50, 58.37 ppm; 5.26 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 24 + HA ILE 23 OK 98 98 100 100 3.7-3.8 2.9/6292=98, 2.1/8956=83...(12) QG1 VAL 102 + HA ILE 23 OK 85 94 100 90 4.9-5.4 8527/8084=77...(4) Violated in 0 structures by 0.00 A. Peak 8929 from cnoeabs.peaks (1.53, 1.77, 41.91 ppm; 3.96 A): 3 out of 3 assignments used, quality = 1.00: QB ALA 73 + HB ILE 23 OK 97 99 100 98 2.9-3.2 8493/645=51, 8931/2.1=49...(12) HG LEU 12 + HB ILE 23 OK 93 100 100 93 3.8-4.1 2.1/8777=50...(8) HG13 ILE 77 + HB ILE 23 OK 50 59 90 94 4.4-4.8 ~8546=38, ~8140=30...(13) Violated in 0 structures by 0.00 A. Peak 8930 from cnoeabs.peaks (0.62, 1.77, 41.91 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 12 + HB ILE 23 OK 96 99 100 97 3.9-4.3 8777=65, 2.1/10289=40...(9) QD1 ILE 77 + HB ILE 23 OK 68 70 100 97 3.8-4.1 8546/645=72, 8513/629=34...(11) Violated in 0 structures by 0.00 A. Peak 8931 from cnoeabs.peaks (1.52, 0.80, 17.01 ppm; 3.12 A increased from 2.93 A): 3 out of 8 assignments used, quality = 0.96: QB ALA 73 + QG2 ILE 23 OK 92 100 100 92 2.9-3.0 8057/625=44, 8492=42...(11) HD2 LYS 88 + QG2 ILE 90 OK 40 88 70 64 2.5-4.5 3.0/10076=29...(8) HD3 LYS 88 + QG2 ILE 90 OK 26 88 50 58 2.3-4.2 3.0/10076=29...(8) HB3 LEU 83 - QG2 ILE 90 far 0 53 0 - 4.2-6.2 HG LEU 12 - QG2 ILE 23 far 0 100 0 - 4.4-4.8 HB3 LEU 51 - QG2 ILE 23 far 0 61 0 - 5.3-6.1 HB3 LYS 84 - QG2 ILE 90 far 0 87 0 - 9.4-10.5 HG LEU 109 - QG2 ILE 23 far 0 98 0 - 9.8-19.2 Violated in 0 structures by 0.00 A. Peak 8932 from cnoeabs.peaks (0.47, 1.72, 25.35 ppm; 3.68 A increased from 3.47 A): 1 out of 7 assignments used, quality = 0.99: QD2 LEU 51 + HG12 ILE 23 OK 99 100 100 99 3.2-3.7 8144/2.1=91, 8324=37...(16) QD2 LEU 51 - HG LEU 55 far 0 79 0 - 4.4-4.8 QG2 VAL 14 - HG12 ILE 23 far 0 79 0 - 4.9-5.4 HB2 LYS 52 - HG LEU 55 far 0 80 0 - 5.1-6.3 HG12 ILE 77 - HG12 ILE 23 far 0 82 0 - 6.1-6.3 QD2 LEU 15 - HG12 ILE 23 far 0 73 0 - 9.1-9.4 HB2 LYS 52 - HG12 ILE 23 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8933 from cnoeabs.peaks (0.59, 1.23, 25.35 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 77 + HG13 ILE 23 OK 99 99 100 100 3.2-3.4 8546/2.1=98...(11) QD2 LEU 83 + HG2 LYS 88 OK 28 28 100 100 2.2-3.8 10565/3.0=64...(20) QD1 LEU 83 - HG2 LYS 88 poor 15 44 35 - 4.5-5.6 QD2 LEU 12 - HG13 ILE 23 far 0 70 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 8935 from cnoeabs.peaks (-0.13, 0.75, 13.70 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 70 + QD1 ILE 23 OK 99 99 100 100 3.7-4.0 9410/8144=85...(13) QD2 LEU 70 - QD1 ILE 11 far 0 93 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 8936 from cnoeabs.peaks (-0.33, 0.75, 13.70 ppm; 4.63 A increased from 4.36 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 77 + QD1 ILE 23 OK 99 100 100 99 4.3-4.5 3.2/8546=92, ~8513=39...(15) Violated in 0 structures by 0.00 A. Peak 8939 from cnoeabs.peaks (1.00, 4.25, 50.30 ppm; 4.92 A increased from 4.63 A): 2 out of 3 assignments used, quality = 1.00: QG2 THR 37 + HA ALA 24 OK 100 100 100 100 4.5-4.9 8266/6303=83...(10) QG1 VAL 25 + HA ALA 24 OK 84 85 100 98 5.3-5.3 4.0/6303=77...(11) HB3 GLN 50 - HA ALA 24 far 0 77 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 8942 from cnoeabs.peaks (1.14, 5.11, 60.23 ppm; 4.62 A increased from 4.11 A): 2 out of 6 assignments used, quality = 0.94: HG3 LYS 13 + HA VAL 25 OK 80 99 95 86 3.7-5.6 4.9/10800=51...(5) HG2 LYS 13 + HA VAL 25 OK 70 99 85 84 3.4-5.4 4.9/10800=51...(5) HB2 LEU 51 - HA VAL 25 far 0 70 0 - 6.3-7.7 HG LEU 51 - HA VAL 25 far 0 82 0 - 6.6-7.0 QD1 LEU 36 - HA VAL 25 far 0 98 0 - 7.3-7.4 HB VAL 14 - HA VAL 25 far 0 96 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 8943 from cnoeabs.peaks (0.45, 1.71, 35.27 ppm; 5.08 A): 2 out of 5 assignments used, quality = 0.99: QD1 LEU 55 + HB VAL 25 OK 95 95 100 100 3.2-3.9 2.1/8150=92, ~8947=56...(15) QD2 LEU 51 + HB VAL 25 OK 77 79 100 98 3.3-3.5 8948/2.1=50, 2.1/668=48...(13) QD1 LEU 70 - HB VAL 25 far 0 84 0 - 6.6-7.0 HB2 LYS 52 - HB VAL 25 far 0 85 0 - 8.3-9.8 HG3 LYS 98 - HB3 LYS 88 far 0 72 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 8944 from cnoeabs.peaks (1.53, 0.97, 22.57 ppm; 3.65 A): 1 out of 9 assignments used, quality = 0.57: HG LEU 36 + QG1 VAL 25 OK 57 61 100 93 3.5-3.7 3.0/8945=54, 2.1/8247=45...(12) HG LEU 12 - QG1 VAL 14 far 0 51 0 - 5.3-5.6 QB ALA 73 - QG1 VAL 14 far 0 50 0 - 5.7-6.1 QB ALA 73 - QG1 VAL 25 far 0 100 0 - 5.8-6.2 HG LEU 12 - QG1 VAL 25 far 0 100 0 - 6.1-6.2 HB3 LYS 58 - QG1 VAL 25 far 0 85 0 - 7.2-7.8 HB3 LEU 83 - QG1 VAL 14 far 0 34 0 - 8.3-9.3 HB3 LEU 109 - QG1 VAL 14 far 0 36 0 - 8.5-16.1 HG LEU 109 - QG1 VAL 14 far 0 49 0 - 8.6-16.6 Violated in 1 structures by 0.00 A. Peak 8945 from cnoeabs.peaks (1.43, 0.97, 22.57 ppm; 3.71 A): 1 out of 8 assignments used, quality = 0.69: HB2 LEU 36 + QG1 VAL 25 OK 69 71 100 96 3.1-3.5 3.0/8944=58, 1.8/8245=42...(14) HG13 ILE 11 - QG1 VAL 25 far 0 100 0 - 4.5-6.2 HG LEU 70 - QG1 VAL 25 far 0 100 0 - 5.2-5.6 QB ALA 47 - QG1 VAL 14 far 0 50 0 - 6.2-6.6 HB ILE 77 - QG1 VAL 14 far 0 27 0 - 6.6-7.1 HB3 LYS 52 - QG1 VAL 25 far 0 77 0 - 7.3-8.8 QB ALA 57 - QG1 VAL 25 far 0 96 0 - 7.5-7.8 QB ALA 47 - QG1 VAL 25 far 0 100 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 8946 from cnoeabs.peaks (1.15, 0.97, 22.57 ppm; 3.32 A): 1 out of 14 assignments used, quality = 0.36: HB VAL 14 + QG1 VAL 14 OK 36 36 100 100 2.1-2.1 2.1=100 QD1 LEU 36 - QG1 VAL 25 far 0 100 0 - 4.2-4.4 HB2 LEU 12 - QG1 VAL 25 far 0 73 0 - 4.4-4.7 HG LEU 51 - QG1 VAL 25 far 0 61 0 - 4.7-5.1 HG2 LYS 13 - QG1 VAL 25 far 0 100 0 - 5.1-6.8 HG3 LYS 13 - QG1 VAL 25 far 0 100 0 - 5.3-6.9 HG3 ARG 66 - QG1 VAL 25 far 0 95 0 - 6.0-7.5 HG2 LYS 13 - QG1 VAL 14 far 0 51 0 - 7.2-7.7 HG3 LYS 13 - QG1 VAL 14 far 0 51 0 - 7.3-8.0 HB2 LYS 98 - QG1 VAL 14 far 0 50 0 - 7.6-9.3 HB2 LEU 12 - QG1 VAL 14 far 0 31 0 - 7.7-8.0 HD3 LYS 98 - QG1 VAL 14 far 0 28 0 - 8.0-9.5 HD3 LYS 52 - QG1 VAL 25 far 0 99 0 - 9.0-10.0 HB VAL 14 - QG1 VAL 25 far 0 84 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 8947 from cnoeabs.peaks (0.33, 0.97, 22.57 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 55 + QG1 VAL 25 OK 98 100 100 99 1.9-2.0 8150/2.1=53...(18) QG2 VAL 76 + QG1 VAL 14 OK 29 30 100 98 3.3-3.5 9955/2.1=57, ~10930=43...(15) QG1 VAL 21 - QG1 VAL 14 far 0 43 0 - 4.4-4.9 QG2 ILE 61 - QG1 VAL 25 far 0 99 0 - 4.7-5.3 HB2 LYS 58 - QG1 VAL 25 far 0 87 0 - 8.2-8.8 QG2 VAL 76 - QG1 VAL 25 far 0 71 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 8948 from cnoeabs.peaks (0.46, 0.97, 22.57 ppm; 3.92 A): 2 out of 8 assignments used, quality = 0.97: QD2 LEU 51 + QG1 VAL 25 OK 90 95 100 95 3.8-4.1 10911=48, 2.1/680=43...(12) QD1 LEU 55 + QG1 VAL 25 OK 75 79 100 95 1.9-2.2 2.1/8947=59, ~8150=40...(16) QD2 LEU 15 - QG1 VAL 14 far 0 43 0 - 4.6-4.8 HG12 ILE 77 - QG1 VAL 14 far 0 23 0 - 5.0-5.6 QD1 LEU 70 - QG1 VAL 25 far 0 61 0 - 5.7-5.9 QD2 LEU 51 - QG1 VAL 14 far 0 44 0 - 7.0-7.6 HB2 LYS 52 - QG1 VAL 25 far 0 98 0 - 7.5-8.8 HG3 LYS 98 - QG1 VAL 14 far 0 45 0 - 7.5-10.4 Violated in 0 structures by 0.00 A. Peak 8949 from cnoeabs.peaks (0.10, 0.97, 22.57 ppm; 5.37 A increased from 5.05 A): 3 out of 5 assignments used, quality = 0.99: QD1 ILE 61 + QG1 VAL 25 OK 98 100 100 98 5.0-5.4 8351/8947=58...(7) QD1 LEU 15 + QG1 VAL 14 OK 36 44 100 83 5.4-5.7 4.0/366=33, 4.8/6150=32...(8) QB ALA 22 + QG1 VAL 14 OK 33 36 100 90 4.8-5.3 8887/4.2=63, 4.9/8961=56...(5) QB ALA 22 - QG1 VAL 25 far 0 84 0 - 9.3-9.3 QD1 LEU 15 - QG1 VAL 25 far 0 95 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 8950 from cnoeabs.peaks (2.65, 0.97, 22.57 ppm; 3.48 A): 1 out of 8 assignments used, quality = 0.99: HB3 PHE 10 + QG1 VAL 25 OK 99 100 100 99 2.6-2.7 8044=82, 2.5/8968=63...(11) HB3 ASP 65 - QG1 VAL 25 far 0 100 0 - 6.3-6.8 HG3 GLN 72 - QG1 VAL 25 far 0 90 0 - 6.7-7.1 HB2 PHE 40 - QG1 VAL 14 far 0 49 0 - 7.9-8.5 HB2 PHE 40 - QG1 VAL 25 far 0 100 0 - 8.3-8.8 HG3 GLN 72 - QG1 VAL 14 far 0 40 0 - 8.7-9.1 HB3 GLN 81 - QG1 VAL 14 far 0 36 0 - 8.8-9.9 HB2 ASP 82 - QG1 VAL 14 far 0 39 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8951 from cnoeabs.peaks (2.31, 0.97, 22.57 ppm; 4.82 A): 2 out of 10 assignments used, quality = 0.99: HB2 ASP 26 + QG1 VAL 25 OK 92 97 100 95 4.4-4.6 4.0/6315=78, 3.0/8960=42...(5) HB3 ASP 26 + QG1 VAL 25 OK 89 93 100 96 4.9-5.1 4.0/6315=78...(5) HG2 GLN 72 - QG1 VAL 25 far 0 98 0 - 6.5-6.9 HG2 GLN 72 - QG1 VAL 14 far 0 47 0 - 7.5-7.8 HB2 GLU 75 - QG1 VAL 14 far 0 26 0 - 7.6-7.9 HB3 GLN 72 - QG1 VAL 25 far 0 79 0 - 8.6-8.9 HB3 GLU 75 - QG1 VAL 14 far 0 27 0 - 8.6-8.8 HB3 GLN 72 - QG1 VAL 14 far 0 34 0 - 8.8-9.1 HG3 GLU 101 - QG1 VAL 14 far 0 38 0 - 9.6-9.9 HB2 ASP 26 - QG1 VAL 14 far 0 46 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 8952 from cnoeabs.peaks (1.97, 0.97, 22.57 ppm; 4.57 A): 4 out of 13 assignments used, quality = 1.00: HB3 GLN 27 + QG1 VAL 25 OK 91 99 100 91 4.3-4.8 4.0/8974=37, 11168=27...(11) HB2 GLN 27 + QG1 VAL 25 OK 90 100 100 90 4.3-4.8 4.0/8974=37, 11168=27...(10) HB VAL 69 + QG1 VAL 25 OK 85 100 100 85 3.2-3.6 11168=35, 11167/2.1=33...(8) HB2 GLU 54 + QG1 VAL 25 OK 51 98 100 52 4.7-5.1 1630/9988=16...(6) HB3 LEU 70 - QG1 VAL 25 far 0 92 0 - 7.0-7.5 HB2 GLN 72 - QG1 VAL 14 far 0 39 0 - 7.3-7.6 HG13 ILE 90 - QG1 VAL 14 far 0 45 0 - 7.4-8.7 HB2 GLN 72 - QG1 VAL 25 far 0 88 0 - 8.4-8.7 HB3 GLU 101 - QG1 VAL 14 far 0 40 0 - 8.8-9.2 HB3 GLU 101 - QG1 VAL 25 far 0 90 0 - 8.9-9.4 HB2 GLU 94 - QG1 VAL 14 far 0 48 0 - 9.0-10.3 HB ILE 90 - QG1 VAL 14 far 0 43 0 - 9.3-10.1 HB VAL 69 - QG1 VAL 14 far 0 50 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 8953 from cnoeabs.peaks (3.82, 0.97, 22.57 ppm; 4.59 A): 0 out of 9 assignments used, quality = 0.00: HA ALA 73 - QG1 VAL 14 far 0 48 0 - 5.5-5.9 HB3 SER 105 - QG1 VAL 14 far 0 48 0 - 6.0-6.7 HB2 SER 105 - QG1 VAL 14 far 0 48 0 - 6.4-7.8 HB2 PHE 79 - QG1 VAL 14 far 0 30 0 - 7.4-7.8 HA ALA 73 - QG1 VAL 25 far 0 99 0 - 8.2-8.6 HB3 SER 107 - QG1 VAL 14 far 0 36 0 - 8.6-14.1 HA GLN 81 - QG1 VAL 14 far 0 24 0 - 8.8-9.1 HA LYS 98 - QG1 VAL 14 far 0 48 0 - 9.1-10.3 HD3 PRO 43 - QG1 VAL 14 far 0 24 0 - 9.7-10.6 Violated in 20 structures by 0.41 A. Peak 8954 from cnoeabs.peaks (4.54, 4.25, 50.30 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.95: HA TYR 39 + HA ALA 24 OK 95 95 100 100 3.4-3.6 9199/2.1=94...(5) HA ILE 11 - HA ALA 24 far 0 79 0 - 9.5-9.6 Violated in 0 structures by 0.00 A. Peak 8955 from cnoeabs.peaks (5.38, 4.25, 50.30 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.81: HG1 THR 37 + HA ALA 24 OK 81 92 100 88 2.9-3.5 8959/6303=55...(8) HA VAL 14 - HA ALA 24 far 0 94 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 8956 from cnoeabs.peaks (5.50, 4.25, 50.30 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 23 + HA ALA 24 OK 100 100 100 100 4.5-4.6 6292/3.0=95, 10772=55...(15) Violated in 0 structures by 0.00 A. Peak 8957 from cnoeabs.peaks (5.37, 0.20, 23.38 ppm; 4.69 A): 2 out of 2 assignments used, quality = 1.00: HG1 THR 37 + QB ALA 24 OK 97 98 100 99 3.2-3.6 8955/2.1=84...(10) HA VAL 14 + QB ALA 24 OK 88 99 100 89 4.1-5.0 10317/2.9=70...(7) Violated in 0 structures by 0.00 A. Peak 8960 from cnoeabs.peaks (5.33, 0.97, 22.57 ppm; 3.40 A): 4 out of 6 assignments used, quality = 0.98: HA ASP 26 + QG1 VAL 25 OK 92 95 100 97 3.6-3.6 3.0/6315=59, ~6314=25...(17) HA PHE 10 + QG1 VAL 25 OK 39 99 40 98 3.9-4.1 6081/8756=57...(13) HG1 THR 37 + QG1 VAL 25 OK 32 73 100 43 3.2-3.8 4.7/6456=13, ~669=11...(7) HA VAL 14 + QG1 VAL 14 OK 29 29 100 100 2.5-2.7 3.2=100 HA VAL 14 - QG1 VAL 25 far 0 70 0 - 8.8-9.0 HG1 THR 37 - QG1 VAL 14 far 0 31 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 8961 from cnoeabs.peaks (5.51, 0.97, 22.57 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.50: HA ILE 23 + QG1 VAL 14 OK 50 50 100 100 3.7-4.3 8925/2.1=87, 8829/4.2=50...(13) HA ILE 23 - QG1 VAL 25 far 0 100 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 8962 from cnoeabs.peaks (4.70, 0.97, 22.57 ppm; 4.50 A): 3 out of 6 assignments used, quality = 1.00: HA LEU 12 + QG1 VAL 25 OK 97 98 100 99 3.8-3.9 10292/678=73...(8) HA LEU 36 + QG1 VAL 25 OK 89 95 95 98 4.9-5.2 3.0/8945=77, 3.7/8944=68...(6) HA TRP 16 + QG1 VAL 14 OK 47 47 100 100 3.5-3.6 8833=97, 3.0/8832=45...(7) HA SER 105 - QG1 VAL 14 far 0 35 0 - 7.1-7.6 HA LEU 12 - QG1 VAL 14 far 0 47 0 - 7.5-7.7 HA ASN 108 - QG1 VAL 14 far 0 49 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 8966 from cnoeabs.peaks (7.11, 4.25, 50.30 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.89: QD PHE 40 + HA ALA 24 OK 89 92 100 96 2.8-3.6 6488/9221=59, 9224=47...(12) HZ PHE 40 - HA ALA 24 far 5 96 5 - 4.8-6.5 Violated in 0 structures by 0.00 A. Peak 8967 from cnoeabs.peaks (7.26, 0.97, 22.57 ppm; 4.70 A increased from 4.18 A): 1 out of 5 assignments used, quality = 0.99: QE PHE 10 + QG1 VAL 25 OK 99 99 100 100 4.4-4.5 2.2/8968=97, 4.4/8950=64...(12) HH2 TRP 60 - QG1 VAL 25 far 0 100 0 - 6.0-6.3 H PHE 99 - QG1 VAL 14 far 0 51 0 - 6.8-7.7 HZ3 TRP 60 - QG1 VAL 25 far 0 61 0 - 7.2-7.5 HZ PHE 79 - QG1 VAL 14 far 0 49 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 8968 from cnoeabs.peaks (7.04, 0.97, 22.57 ppm; 3.36 A): 1 out of 7 assignments used, quality = 0.99: QD PHE 10 + QG1 VAL 25 OK 99 100 100 99 2.8-2.9 2.5/8950=57, 8722=53...(18) QE PHE 40 - QG1 VAL 25 far 0 90 0 - 5.1-5.9 QE PHE 99 - QG1 VAL 14 far 0 50 0 - 5.3-5.9 HD21 ASN 68 - QG1 VAL 25 far 0 99 0 - 5.8-6.1 H LYS 58 - QG1 VAL 25 far 0 71 0 - 7.9-8.1 HE22 GLN 72 - QG1 VAL 25 far 0 95 0 - 7.9-8.2 QE PHE 40 - QG1 VAL 14 far 0 40 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 8969 from cnoeabs.peaks (7.84, 0.85, 24.01 ppm; 5.09 A increased from 4.80 A): 2 out of 11 assignments used, quality = 0.96: H THR 37 + QG2 VAL 25 OK 88 90 100 99 5.4-5.6 8970/2.1=80, 8971/4.0=66...(7) H THR 37 + QD1 LEU 51 OK 66 68 100 96 4.9-5.1 3.9/9193=61, 9195=42...(8) H ARG 66 - QG2 VAL 25 far 0 99 0 - 6.5-6.8 H ARG 66 - QD1 LEU 51 far 0 80 0 - 6.8-7.2 H THR 37 - QD1 LEU 12 far 0 86 0 - 7.4-7.6 HE22 GLN 49 - QD1 LEU 51 far 0 81 0 - 8.0-8.2 H ALA 47 - QD1 LEU 51 far 0 74 0 - 8.3-8.8 H ALA 47 - QD1 LEU 12 far 0 92 0 - 8.3-8.6 H ARG 66 - QD1 LEU 12 far 0 97 0 - 8.8-9.3 H ALA 47 - QG2 VAL 25 far 0 95 0 - 9.5-9.9 HE22 GLN 49 - QG2 VAL 25 far 0 99 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8970 from cnoeabs.peaks (7.83, 1.71, 35.27 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.93: H THR 37 + HB VAL 25 OK 93 97 100 96 4.2-4.5 8267/6306=72...(6) H ARG 66 - HB VAL 25 far 0 100 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 8972 from cnoeabs.peaks (6.36, 0.20, 23.38 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 39 + QB ALA 24 OK 99 99 100 100 2.5-3.5 2.2/8147=88, 10747=64...(11) HE21 GLN 50 - QB ALA 24 far 0 98 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 8973 from cnoeabs.peaks (9.06, 4.25, 50.30 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: H PHE 40 + HA ALA 24 OK 100 100 100 100 3.5-3.6 9221=100, 8279/2.1=95...(10) Violated in 0 structures by 0.00 A. Peak 8974 from cnoeabs.peaks (9.17, 0.97, 22.57 ppm; 4.35 A): 2 out of 5 assignments used, quality = 0.99: H GLN 27 + QG1 VAL 25 OK 98 100 100 98 4.1-4.5 4.7/6315=56...(13) H TRP 16 + QG1 VAL 14 OK 49 50 100 97 3.5-3.6 2.9/8833=67, 6159=43...(12) H LEU 12 - QG1 VAL 25 far 0 99 0 - 5.0-5.2 HE1 TRP 80 - QG1 VAL 14 far 0 32 0 - 6.4-6.9 H LEU 12 - QG1 VAL 14 far 0 48 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 8975 from cnoeabs.peaks (8.88, 0.97, 22.57 ppm; 4.35 A): 2 out of 7 assignments used, quality = 0.56: H LEU 15 + QG1 VAL 14 OK 43 43 100 100 2.2-2.7 4.2=100 H LYS 13 + QG1 VAL 25 OK 22 90 25 97 4.9-5.0 8976/6315=65...(7) H SER 105 - QG1 VAL 14 poor 15 48 45 68 4.6-5.1 10248/4.0=41...(5) H TRP 80 - QG1 VAL 14 far 0 49 0 - 5.7-5.9 H LYS 13 - QG1 VAL 14 far 0 40 0 - 6.4-6.6 H GLU 101 - QG1 VAL 14 far 0 41 0 - 8.8-9.0 H ALA 64 - QG1 VAL 25 far 0 82 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 8977 from cnoeabs.peaks (7.83, 5.31, 52.61 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.96: H THR 37 + HA ASP 26 OK 96 96 100 100 3.5-3.8 9179=95, 6447/8547=65...(13) Violated in 0 structures by 0.00 A. Peak 8978 from cnoeabs.peaks (3.96, 2.32, 43.62 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.99: HB THR 33 + HB3 ASP 26 OK 99 99 100 100 3.1-3.3 8217=99, 2.1/8218=83...(8) HB THR 33 - HB2 ASP 26 far 5 99 5 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 8985 from cnoeabs.peaks (1.61, 2.33, 43.62 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 11 + HB3 ASP 26 OK 95 95 100 100 3.6-3.9 ~11205=53, ~8050=52...(26) HB ILE 11 + HB2 ASP 26 OK 94 94 100 100 2.4-2.6 2.1/8988=74, 8049/1.8=46...(23) HB3 LYS 13 - HB2 ASP 26 far 0 96 0 - 5.5-5.8 HB ILE 28 - HB3 ASP 26 far 0 100 0 - 6.6-6.8 HB3 LYS 13 - HB3 ASP 26 far 0 97 0 - 6.7-7.1 HB ILE 28 - HB2 ASP 26 far 0 99 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 8986 from cnoeabs.peaks (1.42, 2.33, 43.62 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: HG13 ILE 11 + HB3 ASP 26 OK 100 100 100 100 2.8-4.7 9106/8218=71...(23) HG13 ILE 11 + HB2 ASP 26 OK 100 100 100 100 2.7-4.5 3.2/8988=66, 2.1/8052=43...(21) HB2 LEU 36 - HB3 ASP 26 far 3 68 5 - 5.0-5.5 HB2 LEU 36 - HB2 ASP 26 far 0 67 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 8987 from cnoeabs.peaks (1.02, 2.33, 43.62 ppm; 3.80 A): 4 out of 6 assignments used, quality = 1.00: QG2 THR 33 + HB3 ASP 26 OK 99 99 100 100 3.3-3.4 8218=99, 2.1/8217=79...(9) QG2 THR 33 + HB2 ASP 26 OK 98 99 100 99 4.1-4.3 8218/1.8=84, ~8217=51...(9) HG12 ILE 11 + HB2 ASP 26 OK 78 87 90 99 3.4-4.5 3.2/8988=49, 2.1/8052=35...(20) HG12 ILE 11 + HB3 ASP 26 OK 66 88 75 100 3.6-4.7 2.1/8052=37, 2.9/8049=33...(23) QG2 THR 37 - HB2 ASP 26 far 0 80 0 - 6.8-7.2 QG2 THR 37 - HB3 ASP 26 far 0 81 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 8988 from cnoeabs.peaks (0.84, 2.33, 43.62 ppm; 4.17 A increased from 3.92 A): 1 out of 14 assignments used, quality = 0.96: QG2 ILE 11 + HB2 ASP 26 OK 96 96 100 100 3.9-4.2 11205=92, 2.1/8049=41...(21) QG2 ILE 11 - HB3 ASP 26 far 5 97 5 - 4.7-5.1 QG1 VAL 103 - HB2 ASP 26 far 3 69 5 - 4.0-5.3 QG1 VAL 103 - HB3 ASP 26 far 0 70 0 - 5.1-6.3 QG2 VAL 25 - HB2 ASP 26 far 0 98 0 - 5.4-5.5 QG2 VAL 25 - HB3 ASP 26 far 0 99 0 - 6.4-6.6 QD1 LEU 12 - HB2 ASP 26 far 0 99 0 - 6.6-7.0 QD1 LEU 51 - HB2 ASP 26 far 0 91 0 - 7.2-7.5 QD1 LEU 109 - HB3 ASP 26 far 0 100 0 - 7.7-19.0 QD1 LEU 51 - HB3 ASP 26 far 0 92 0 - 7.9-8.2 QD1 LEU 12 - HB3 ASP 26 far 0 99 0 - 7.9-8.3 QD1 LEU 109 - HB2 ASP 26 far 0 100 0 - 8.5-18.3 QG2 VAL 102 - HB2 ASP 26 far 0 100 0 - 8.6-9.0 QG2 ILE 23 - HB2 ASP 26 far 0 69 0 - 9.6-10.2 Violated in 1 structures by 0.00 A. Peak 8989 from cnoeabs.peaks (0.76, 2.33, 43.62 ppm; 4.40 A): 2 out of 16 assignments used, quality = 1.00: QD1 ILE 11 + HB3 ASP 26 OK 100 100 100 100 1.9-2.6 8213/8217=66...(31) QD1 ILE 11 + HB2 ASP 26 OK 100 100 100 100 1.9-2.9 167/8988=69...(25) QD2 LEU 36 - HB3 ASP 26 far 0 84 0 - 5.8-6.2 QG2 ILE 28 - HB3 ASP 26 far 0 94 0 - 6.1-6.3 QD2 LEU 36 - HB2 ASP 26 far 0 83 0 - 6.1-6.5 QD2 LEU 109 - HB2 ASP 26 far 0 98 0 - 6.2-17.3 QG2 VAL 29 - HB3 ASP 26 far 0 59 0 - 6.4-6.5 QD2 LEU 109 - HB3 ASP 26 far 0 99 0 - 6.4-17.8 QG2 ILE 28 - HB2 ASP 26 far 0 93 0 - 6.9-7.1 QG2 VAL 69 - HB2 ASP 26 far 0 96 0 - 7.5-7.8 QG2 VAL 29 - HB2 ASP 26 far 0 59 0 - 7.7-7.9 QG2 VAL 69 - HB3 ASP 26 far 0 96 0 - 8.2-8.5 QG1 VAL 29 - HB3 ASP 26 far 0 98 0 - 8.4-8.6 QD1 ILE 23 - HB2 ASP 26 far 0 98 0 - 9.4-10.0 QG2 ILE 23 - HB2 ASP 26 far 0 59 0 - 9.6-10.2 QG1 VAL 29 - HB2 ASP 26 far 0 98 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 8990 from cnoeabs.peaks (1.15, 2.33, 43.62 ppm; 5.45 A): 4 out of 9 assignments used, quality = 1.00: HG3 LYS 13 + HB2 ASP 26 OK 98 100 100 99 2.7-4.0 10801/3.0=47...(14) HG2 LYS 13 + HB2 ASP 26 OK 98 100 100 99 2.9-3.8 8787/4.0=37, ~10801=35...(14) HG3 LYS 13 + HB3 ASP 26 OK 98 100 100 98 4.3-5.4 10801/3.0=47...(14) HG2 LYS 13 + HB3 ASP 26 OK 98 100 100 98 4.4-5.2 8787/4.0=37, ~10801=35...(14) QD1 LEU 36 - HB3 ASP 26 far 0 100 0 - 6.5-6.9 HB2 LEU 12 - HB2 ASP 26 far 0 69 0 - 6.6-6.8 QD1 LEU 36 - HB2 ASP 26 far 0 100 0 - 7.3-7.6 HB2 LEU 12 - HB3 ASP 26 far 0 70 0 - 8.1-8.4 HB VAL 14 - HB2 ASP 26 far 0 86 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 8991 from cnoeabs.peaks (1.45, 5.31, 52.61 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: HB2 LEU 36 + HA ASP 26 OK 100 100 100 100 3.1-3.5 1.8/8161=83...(14) HD3 LYS 13 + HA ASP 26 OK 74 85 95 92 4.7-5.6 3.0/10801=37...(13) HD2 LYS 13 - HA ASP 26 poor 19 85 25 91 4.7-6.9 3.0/10801=37...(13) HG13 ILE 11 - HA ASP 26 poor 15 75 20 - 4.4-6.5 HB3 LEU 51 - HA ASP 26 far 0 75 0 - 9.4-11.2 HB2 LEU 109 - HA ASP 26 far 0 87 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 8992 from cnoeabs.peaks (0.98, 5.31, 52.61 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 25 + HA ASP 26 OK 99 99 100 100 3.6-3.6 6315/3.0=89, ~6314=49...(17) QG2 THR 37 + HA ASP 26 OK 89 97 100 91 4.7-5.2 1075/9179=68...(6) QG2 THR 33 - HA ASP 26 far 0 70 0 - 5.3-5.6 HG13 ILE 28 - HA ASP 26 far 0 79 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 8993 from cnoeabs.peaks (0.84, 5.31, 52.61 ppm; 5.66 A increased from 4.77 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 25 + HA ASP 26 OK 100 100 100 100 5.4-5.4 6314/3.0=96, ~6315=79...(9) QG2 ILE 11 + HA ASP 26 OK 90 100 90 100 6.1-6.4 11205/3.0=92, ~8984=65...(23) QD1 LEU 51 - HA ASP 26 far 5 98 5 - 6.1-6.5 QG1 VAL 103 - HA ASP 26 far 4 84 5 - 6.1-7.4 QD1 LEU 12 - HA ASP 26 far 0 100 0 - 7.1-7.4 QD1 LEU 109 - HA ASP 26 far 0 100 0 - 8.9-18.5 Violated in 0 structures by 0.00 A. Peak 9001 from cnoeabs.peaks (2.77, 5.03, 53.30 ppm; 4.41 A increased from 4.15 A): 1 out of 5 assignments used, quality = 0.42: HB2 ASP 18 + HA LEU 17 OK 42 45 100 94 4.1-4.8 8853=57, 3.0/8854=46...(6) HB3 ASP 18 - HA LEU 17 far 0 42 0 - 5.3-5.9 HB2 ASN 108 - HA LEU 17 far 0 54 0 - 7.4-19.1 HE3 LYS 84 - HA LEU 17 far 0 36 0 - 9.0-10.8 HD2 ARG 66 - HA GLN 27 far 0 82 0 - 9.7-12.6 Violated in 3 structures by 0.05 A. Peak 9003 from cnoeabs.peaks (5.33, 5.03, 53.30 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: HA PHE 10 + HA GLN 27 OK 100 100 100 100 1.9-2.1 8045=100, 8176/6351=58...(18) HA ASP 26 - HA GLN 27 far 0 98 0 - 4.4-4.4 HG1 THR 37 - HA GLN 27 far 0 65 0 - 7.7-8.2 HA VAL 14 - HA LEU 17 far 0 28 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 9004 from cnoeabs.peaks (5.32, 1.98, 31.64 ppm; 3.99 A): 2 out of 6 assignments used, quality = 1.00: HA PHE 10 + HB2 GLN 27 OK 99 100 100 99 3.9-4.1 8045/3.0=68, 8176/4.6=43...(16) HA ASP 26 + HB3 GLN 27 OK 83 99 100 84 4.0-4.1 6322/4.0=59...(11) HA PHE 10 - HB3 GLN 27 far 0 100 0 - 4.6-5.0 HA ASP 26 - HB2 GLN 27 far 0 99 0 - 5.1-5.4 HA PHE 10 - HB VAL 69 far 0 79 0 - 6.7-7.0 HA ASP 26 - HB VAL 69 far 0 77 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 9005 from cnoeabs.peaks (5.33, 2.07, 33.17 ppm; 5.41 A increased from 4.81 A): 2 out of 3 assignments used, quality = 1.00: HA PHE 10 + HG2 GLN 27 OK 100 100 100 100 4.7-5.4 8045/726=87, 8176/733=80...(11) HA ASP 26 + HG2 GLN 27 OK 23 98 25 96 5.2-6.6 6322/725=84, 9004/3.0=42...(5) HG1 THR 37 - HG2 GLN 27 far 0 65 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9006 from cnoeabs.peaks (5.30, 2.18, 33.17 ppm; 5.57 A increased from 4.69 A): 2 out of 2 assignments used, quality = 0.99: HA PHE 10 + HG3 GLN 27 OK 96 96 100 100 4.6-5.5 8045/735=86, 8176/742=83...(8) HA ASP 26 + HG3 GLN 27 OK 73 99 75 97 5.3-6.6 6322/6329=89...(6) Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (3.05, 2.18, 33.17 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.73: HB2 PHE 99 + HB VAL 102 OK 73 73 100 100 2.2-2.8 10712/2.1=87, ~10216=86...(16) Violated in 0 structures by 0.00 A. Peak 9008 from cnoeabs.peaks (3.66, 2.07, 33.17 ppm; 5.76 A): 1 out of 4 assignments used, quality = 1.00: HB3 SER 34 + HG2 GLN 27 OK 100 100 100 100 1.7-4.5 9125/1.8=99...(13) HD2 PRO 35 - HG2 GLN 27 poor 15 59 25 - 4.8-7.2 HB2 SER 9 - HG2 GLN 27 far 0 99 0 - 6.4-7.7 HB3 SER 9 - HG2 GLN 27 far 0 99 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 9009 from cnoeabs.peaks (7.25, 1.97, 31.64 ppm; 4.16 A): 5 out of 8 assignments used, quality = 1.00: QE PHE 10 + HB2 GLN 27 OK 99 100 100 99 3.0-3.6 ~9015=39, ~10284=33...(18) HH2 TRP 60 + HB2 GLN 27 OK 94 100 100 95 2.1-2.5 10812/4.5=49...(12) HH2 TRP 60 + HB3 GLN 27 OK 94 100 100 94 3.3-3.7 10812/4.5=49...(12) QE PHE 10 + HB3 GLN 27 OK 79 100 80 99 4.1-5.2 ~9015=39, ~10284=33...(18) HZ3 TRP 60 + HB2 GLN 27 OK 51 70 100 73 3.9-4.6 10811/4.5=22, ~9011=19...(9) HZ3 TRP 60 - HB3 GLN 27 far 0 69 0 - 5.5-6.0 H PHE 99 - HB3 PRO 100 far 0 59 0 - 6.6-6.9 QE PHE 10 - HB VAL 69 far 0 80 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 9011 from cnoeabs.peaks (7.26, 2.07, 33.17 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.99: HH2 TRP 60 + HG2 GLN 27 OK 97 100 100 97 2.4-4.0 10812/3.5=65...(12) QE PHE 10 + HG2 GLN 27 OK 62 99 65 97 4.7-5.9 2.2/11088=48, 10929=39...(14) HE3 TRP 60 - HG2 GLN 27 far 0 59 0 - 6.0-7.9 Violated in 0 structures by 0.00 A. Peak 9012 from cnoeabs.peaks (7.28, 2.18, 33.17 ppm; 3.92 A): 4 out of 7 assignments used, quality = 1.00: QD PHE 99 + HB VAL 102 OK 85 85 100 100 3.7-4.1 8844/2.1=77, ~10216=40...(15) HH2 TRP 60 + HG3 GLN 27 OK 83 93 100 90 2.4-4.1 9587/9164=36...(11) QE PHE 104 + HB VAL 102 OK 65 68 100 97 2.3-3.5 ~11147=40, ~10828=31...(15) H PHE 99 + HB VAL 102 OK 55 90 65 94 4.4-5.1 3.3/9007=34, ~10216=33...(10) QE PHE 10 - HG3 GLN 27 far 4 82 5 - 4.4-6.2 HE3 TRP 60 - HG3 GLN 27 far 0 88 0 - 5.9-8.0 QE PHE 79 - HB VAL 102 far 0 77 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 9015 from cnoeabs.peaks (7.04, 5.03, 53.30 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 10 + HA GLN 27 OK 100 100 100 100 3.0-3.4 10284=52, 3.7/8045=50...(16) HD21 ASN 68 - HA GLN 27 far 0 98 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 9016 from cnoeabs.peaks (9.00, 5.03, 53.30 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.76: H ILE 11 + HA GLN 27 OK 76 77 100 99 3.3-3.6 8065=77, 3.6/8045=55...(11) H SER 34 - HA GLN 27 far 5 97 5 - 4.4-4.5 H ASP 26 - HA GLN 27 far 0 100 0 - 5.2-5.2 Violated in 0 structures by 0.00 A. Peak 9017 from cnoeabs.peaks (8.99, 1.98, 31.64 ppm; 4.66 A increased from 4.39 A): 3 out of 9 assignments used, quality = 0.99: H SER 34 + HB3 GLN 27 OK 83 84 100 99 4.1-4.5 6321/4.0=66...(7) H SER 34 + HB2 GLN 27 OK 83 84 100 99 5.1-5.2 6321/4.0=66...(7) H ILE 11 + HB VAL 69 OK 58 70 100 83 4.8-5.1 9796/2.1=62, ~9801=21...(6) H ILE 11 - HB2 GLN 27 far 0 94 0 - 5.3-5.5 H ASP 26 - HB VAL 69 far 0 74 0 - 5.3-5.6 H ILE 11 - HB3 GLN 27 far 0 94 0 - 5.5-5.9 H ASP 26 - HB3 GLN 27 far 0 97 0 - 6.2-6.3 H ASP 26 - HB2 GLN 27 far 0 97 0 - 6.6-6.9 H SER 34 - HB2 LYS 31 far 0 70 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 9018 from cnoeabs.peaks (9.01, 2.07, 33.17 ppm; 5.22 A): 1 out of 3 assignments used, quality = 1.00: H SER 34 + HG2 GLN 27 OK 100 100 100 100 2.7-4.6 9119/1.8=92, 10349=89...(9) H ILE 11 - HG2 GLN 27 far 0 63 0 - 6.7-6.8 H ASP 26 - HG2 GLN 27 far 0 100 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 9019 from cnoeabs.peaks (8.98, 2.18, 33.17 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.79: H SER 34 + HG3 GLN 27 OK 79 79 100 100 2.6-4.7 10349/1.8=75, 9119=69...(10) H ILE 11 - HG3 GLN 27 far 0 96 0 - 6.5-6.9 H ASP 26 - HG3 GLN 27 far 0 95 0 - 7.5-8.2 H ASP 26 - HB VAL 102 far 0 93 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 9021 from cnoeabs.peaks (8.98, 1.27, 27.47 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.96: H ILE 11 + HG12 ILE 28 OK 96 96 100 100 4.3-4.4 6081/9042=70...(10) H SER 34 - HG12 ILE 28 far 0 79 0 - 6.0-6.1 H ASP 26 - HG12 ILE 28 far 0 95 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 9023 from cnoeabs.peaks (9.00, 4.25, 61.29 ppm; 3.97 A): 1 out of 5 assignments used, quality = 0.99: H SER 34 + HA ILE 28 OK 99 99 100 100 3.0-3.1 8220=94, 6425/8223=75...(11) H ILE 11 - HA ILE 28 far 0 70 0 - 5.8-6.1 H ASP 26 - HA VAL 102 far 0 81 0 - 7.1-7.4 H ASP 26 - HA ILE 28 far 0 100 0 - 7.3-7.5 H ILE 11 - HA VAL 102 far 0 50 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 9024 from cnoeabs.peaks (9.18, 4.25, 61.29 ppm; 4.97 A): 2 out of 3 assignments used, quality = 1.00: H GLN 27 + HA ILE 28 OK 100 100 100 100 4.9-5.2 6350/3.0=78...(11) H LEU 12 + HA VAL 102 OK 70 71 100 99 3.6-3.8 8067=81, 6098/8061=73...(6) H LEU 12 - HA ILE 28 far 0 93 0 - 8.7-8.8 Violated in 0 structures by 0.00 A. Peak 9025 from cnoeabs.peaks (8.99, 0.95, 27.47 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.99: H ILE 11 + HG13 ILE 28 OK 94 94 100 100 4.5-4.6 9021/1.8=82...(7) H SER 34 + HG13 ILE 28 OK 81 84 100 96 4.5-4.7 3.6/9044=68, 9023/748=67...(5) H ASP 26 - HG13 ILE 28 far 0 97 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 9031 from cnoeabs.peaks (4.47, 1.62, 37.39 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: HA SER 9 + HB ILE 28 OK 100 100 100 100 3.6-3.6 8704=100, 6069/8710=42...(23) HA2 GLY 32 - HB ILE 28 far 0 93 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 9032 from cnoeabs.peaks (5.03, 1.62, 37.39 ppm; 4.61 A increased from 4.10 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 27 + HB ILE 28 OK 100 100 100 100 4.5-4.6 6351/6359=93...(6) HA PRO 35 - HB ILE 28 far 0 94 0 - 9.7-9.8 Violated in 0 structures by 0.00 A. Peak 9033 from cnoeabs.peaks (5.24, 1.62, 37.39 ppm; 5.14 A increased from 4.83 A): 1 out of 1 assignment used, quality = 0.98: HA THR 33 + HB ILE 28 OK 98 98 100 100 4.8-4.9 8223/3.0=93...(17) Violated in 0 structures by 0.00 A. Peak 9034 from cnoeabs.peaks (5.32, 1.62, 37.39 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: HA PHE 10 + HB ILE 28 OK 100 100 100 100 3.6-3.7 8176/6359=86...(18) HA ASP 26 - HB ILE 28 far 0 100 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 9036 from cnoeabs.peaks (4.47, 0.78, 17.00 ppm; 4.18 A increased from 3.94 A): 3 out of 6 assignments used, quality = 1.00: HA SER 9 + QG2 ILE 28 OK 100 100 100 100 4.5-4.6 8704/2.1=84, 9039/763=47...(22) HA LYS 88 + QG2 ILE 90 OK 80 86 100 94 3.3-4.4 3.9/10076=46...(13) HA GLN 89 + QG2 ILE 90 OK 65 78 100 83 4.4-4.7 10582/10569=40...(9) HA2 GLY 32 - QG2 ILE 28 far 4 88 5 - 4.1-5.1 HA VAL 21 - QG2 ILE 23 far 0 67 0 - 5.1-5.2 HA ALA 45 - QG2 ILE 23 far 0 50 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 9039 from cnoeabs.peaks (4.47, 1.27, 27.47 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HA SER 9 + HG12 ILE 28 OK 100 100 100 100 4.6-4.7 8704/3.0=88, 6069/774=75...(23) HA2 GLY 32 - HG12 ILE 28 far 0 93 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 9040 from cnoeabs.peaks (5.03, 1.27, 27.47 ppm; 4.75 A increased from 4.22 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 27 + HG12 ILE 28 OK 100 100 100 100 4.6-4.6 6351/6361=91...(5) HA PRO 35 - HG12 ILE 28 far 0 94 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 9041 from cnoeabs.peaks (5.25, 1.27, 27.47 ppm; 5.57 A increased from 4.46 A): 1 out of 1 assignment used, quality = 1.00: HA THR 33 + HG12 ILE 28 OK 100 100 100 100 5.3-5.4 941/9105=98, 9044/1.8=98...(13) Violated in 0 structures by 0.00 A. Peak 9042 from cnoeabs.peaks (5.33, 1.27, 27.47 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: HA PHE 10 + HG12 ILE 28 OK 100 100 100 100 3.1-3.2 8713=73, 8176/6361=72...(22) HA ASP 26 - HG12 ILE 28 far 0 96 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 9043 from cnoeabs.peaks (5.02, 0.95, 27.47 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.99: HA GLN 27 + HG13 ILE 28 OK 99 100 100 99 4.4-4.5 6351/6362=85...(5) HA PRO 35 - HG13 ILE 28 far 0 85 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 9044 from cnoeabs.peaks (5.26, 0.95, 27.47 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: HA THR 33 + HG13 ILE 28 OK 100 100 100 100 3.8-3.9 8223/748=74...(15) Violated in 0 structures by 0.00 A. Peak 9046 from cnoeabs.peaks (4.58, 0.68, 12.63 ppm; 4.96 A increased from 4.67 A): 1 out of 4 assignments used, quality = 0.98: HA ILE 11 + QD1 ILE 28 OK 98 99 100 100 4.8-4.9 3.2/8762=90, 3.8/8552=82...(8) HA THR 8 - QD1 ILE 28 far 0 98 0 - 6.1-6.3 HA ASP 65 - QD1 ILE 28 far 0 70 0 - 7.8-7.9 HA ASP 18 - QD1 ILE 90 far 0 46 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 9047 from cnoeabs.peaks (5.33, 0.68, 12.63 ppm; 4.89 A increased from 4.60 A): 1 out of 3 assignments used, quality = 0.99: HA PHE 10 + QD1 ILE 28 OK 99 99 100 100 4.6-4.7 9042/2.1=83, 8717=75...(18) HA ASP 26 - QD1 ILE 28 far 0 93 0 - 7.1-7.5 HA VAL 14 - QD1 ILE 90 far 0 40 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 9050 from cnoeabs.peaks (3.66, 1.27, 27.47 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: HB3 SER 9 + HG12 ILE 28 OK 99 99 100 100 2.4-4.2 ~8040=74, 3.0/9039=60...(20) HB2 SER 9 + HG12 ILE 28 OK 99 99 100 100 2.1-3.4 8040/2.1=96...(22) HB3 SER 34 - HG12 ILE 28 far 0 100 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 9051 from cnoeabs.peaks (3.66, 0.95, 27.47 ppm; 4.92 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 9 + HG13 ILE 28 OK 99 99 100 100 3.7-4.4 8040/2.1=98...(22) HB3 SER 9 + HG13 ILE 28 OK 94 99 95 100 4.0-5.6 ~8040=79, 4.3/8707=54...(20) HB3 SER 34 - HG13 ILE 28 far 0 100 0 - 6.7-7.2 HD2 PRO 35 - HG13 ILE 28 far 0 59 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 9052 from cnoeabs.peaks (2.28, 0.68, 12.63 ppm; 4.61 A): 1 out of 10 assignments used, quality = 0.44: HG3 GLU 94 + QD1 ILE 90 OK 44 44 100 100 3.9-4.1 1.8/10115=90, 10118=79...(32) HB2 ASP 26 - QD1 ILE 28 far 0 59 0 - 5.5-5.9 HG2 GLN 96 - QD1 ILE 90 far 0 56 0 - 6.1-8.2 HG2 GLN 89 - QD1 ILE 90 far 0 35 0 - 6.7-8.6 HB2 GLN 86 - QD1 ILE 90 far 0 56 0 - 7.3-9.1 HG2 GLN 86 - QD1 ILE 90 far 0 64 0 - 8.7-10.2 HG2 GLU 101 - QD1 ILE 28 far 0 100 0 - 9.2-9.7 HG2 GLN 72 - QD1 ILE 28 far 0 98 0 - 9.5-9.7 HB3 GLU 75 - QD1 ILE 90 far 0 61 0 - 9.8-10.4 HB2 GLU 75 - QD1 ILE 90 far 0 60 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9053 from cnoeabs.peaks (2.87, 0.78, 17.00 ppm; 4.76 A): 2 out of 5 assignments used, quality = 0.99: HE2 LYS 88 + QG2 ILE 90 OK 92 99 100 93 4.2-5.1 3.8/10076=60...(10) HE3 LYS 88 + QG2 ILE 90 OK 91 97 100 93 2.9-4.8 3.8/10076=60...(10) HB3 ASN 78 - QG2 ILE 23 far 0 62 0 - 7.6-7.9 HB2 ASN 78 - QG2 ILE 23 far 0 67 0 - 8.7-9.0 HB2 ASN 85 - QG2 ILE 90 far 0 79 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 9055 from cnoeabs.peaks (0.23, 4.25, 61.29 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.81: QG1 VAL 102 + HA VAL 102 OK 81 81 100 100 2.1-2.3 3.2=100 QB ALA 24 - HA VAL 102 far 0 56 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 9056 from cnoeabs.peaks (1.01, 4.25, 61.29 ppm; 3.25 A): 1 out of 7 assignments used, quality = 0.99: QG2 THR 33 + HA ILE 28 OK 99 99 100 100 1.9-1.9 8221=99, 941/8223=53...(16) HG12 ILE 11 - HA ILE 28 far 0 59 0 - 4.3-4.6 QG1 VAL 25 - HA ILE 28 far 0 70 0 - 7.1-7.3 QG1 VAL 25 - HA VAL 102 far 0 50 0 - 7.7-8.0 HG12 ILE 11 - HA VAL 102 far 0 42 0 - 7.9-8.3 QG2 THR 33 - HA VAL 102 far 0 80 0 - 8.6-9.1 QG2 THR 37 - HA ILE 28 far 0 98 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 9061 from cnoeabs.peaks (1.07, 0.75, 20.64 ppm; 3.88 A increased from 3.65 A): 1 out of 2 assignments used, quality = 0.95: QG2 THR 8 + QG1 VAL 29 OK 95 96 100 99 3.7-3.8 8030/2.1=87...(9) HG12 ILE 11 - QG1 VAL 29 far 0 91 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 9063 from cnoeabs.peaks (3.75, 1.81, 33.28 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.98: HB2 SER 34 + HB VAL 29 OK 98 98 100 100 3.5-4.6 8231=98, 8232/2.1=97...(10) HD3 PRO 35 - HB VAL 29 far 0 100 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 9064 from cnoeabs.peaks (3.65, 1.81, 33.28 ppm; 4.46 A): 1 out of 4 assignments used, quality = 1.00: HB3 SER 34 + HB VAL 29 OK 100 100 100 100 3.2-3.9 10350/2.1=98, 9124=94...(10) HA2 GLY 30 - HB VAL 29 far 0 65 0 - 5.4-5.4 HB2 SER 9 - HB VAL 29 far 0 100 0 - 7.4-8.2 HB3 SER 9 - HB VAL 29 far 0 100 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9065 from cnoeabs.peaks (3.94, 4.24, 60.60 ppm; 5.36 A): 1 out of 3 assignments used, quality = 0.89: HA3 GLY 30 + HA VAL 29 OK 89 90 100 100 4.3-4.3 8204=88, 8202/810=83...(6) HB THR 33 - HA VAL 29 far 0 99 0 - 7.1-7.4 HA LEU 70 - HA VAL 102 far 0 74 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 9066 from cnoeabs.peaks (3.62, 4.24, 60.60 ppm; 4.81 A increased from 4.52 A): 2 out of 5 assignments used, quality = 1.00: HA2 GLY 30 + HA VAL 29 OK 100 100 100 100 4.5-4.5 8205=89, 8199/810=83...(6) HB3 SER 34 + HA VAL 29 OK 69 70 100 100 5.2-5.3 10350/804=67, ~8232=63...(10) HB2 SER 9 - HA VAL 29 far 8 81 10 - 5.3-6.4 HB3 SER 9 - HA VAL 29 far 0 77 0 - 6.7-7.2 HD3 PRO 100 - HA VAL 102 far 0 74 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 9071 from cnoeabs.peaks (4.58, 4.24, 60.60 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.96: HA THR 8 + HA VAL 29 OK 96 99 100 97 3.0-3.2 3.2/10869=60...(7) HA ILE 11 - HA VAL 102 far 0 70 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 9072 from cnoeabs.peaks (4.59, 0.72, 20.00 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: HA THR 8 + QG2 VAL 29 OK 100 100 100 100 3.8-3.9 94/8030=97, 9071/804=77...(8) HA ILE 11 - QG2 VAL 29 far 0 95 0 - 9.4-9.4 Violated in 0 structures by 0.00 A. Peak 9073 from cnoeabs.peaks (5.00, 0.72, 20.00 ppm; 4.28 A increased from 4.03 A): 1 out of 2 assignments used, quality = 0.87: HA SER 34 + QG2 VAL 29 OK 87 87 100 100 4.1-4.3 3.0/10350=84...(10) HA GLN 27 - QG2 VAL 29 far 0 75 0 - 4.9-5.0 Violated in 3 structures by 0.00 A. Peak 9074 from cnoeabs.peaks (6.70, 0.72, 20.00 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 27 + QG2 VAL 29 OK 100 100 100 100 3.6-3.7 10326=100, 1.7/8169=86...(8) Violated in 0 structures by 0.00 A. Peak 9075 from cnoeabs.peaks (7.18, 0.72, 20.00 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: HE21 GLN 27 + QG2 VAL 29 OK 100 100 100 100 2.6-2.6 8169=98, 1.7/10326=73...(8) HZ3 TRP 60 - QG2 VAL 29 far 0 59 0 - 4.7-5.0 HD1 TRP 60 - QG2 VAL 29 far 0 97 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 9076 from cnoeabs.peaks (5.26, 0.75, 20.64 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.98: HA THR 33 + QG1 VAL 29 OK 98 99 100 99 4.7-4.8 8181/809=79, 8224/2.1=66...(6) Violated in 2 structures by 0.00 A. Peak 9077 from cnoeabs.peaks (6.70, 0.75, 20.64 ppm; 5.83 A increased from 4.91 A): 1 out of 1 assignment used, quality = 0.99: HE22 GLN 27 + QG1 VAL 29 OK 99 99 100 100 5.5-5.7 10326/2.1=99...(5) Violated in 0 structures by 0.00 A. Peak 9078 from cnoeabs.peaks (7.18, 0.75, 20.64 ppm; 5.03 A increased from 4.74 A): 1 out of 2 assignments used, quality = 0.98: HE21 GLN 27 + QG1 VAL 29 OK 98 99 100 100 4.7-4.8 8169/2.1=97, ~10326=75...(5) HZ3 TRP 60 - QG1 VAL 29 far 0 68 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 9083 from cnoeabs.peaks (8.00, 1.81, 33.28 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.99: H GLY 32 + HB VAL 29 OK 99 99 100 100 3.1-3.2 9102=99, 8210/2.1=99...(6) Violated in 0 structures by 0.00 A. Peak 9084 from cnoeabs.peaks (8.00, 0.72, 20.00 ppm; 4.86 A increased from 4.58 A): 1 out of 1 assignment used, quality = 1.00: H GLY 32 + QG2 VAL 29 OK 100 100 100 100 4.6-4.6 8210/2.1=97...(6) Violated in 0 structures by 0.00 A. Peak 9085 from cnoeabs.peaks (8.01, 0.75, 20.64 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: H GLY 32 + QG1 VAL 29 OK 100 100 100 100 2.8-2.8 8210=100, 9102/2.1=75...(10) Violated in 0 structures by 0.00 A. Peak 9089 from cnoeabs.peaks (0.83, 3.61, 46.79 ppm; 4.78 A): 0 out of 2 assignments used, quality = 0.00: QG2 VAL 6 - HA2 GLY 30 poor 20 100 20 - 3.9-7.9 QG1 VAL 6 - HA2 GLY 30 far 0 99 0 - 6.6-9.9 Violated in 16 structures by 1.88 A. Peak 9092 from cnoeabs.peaks (0.81, 3.92, 46.79 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.57: QG2 ILE 28 + HA3 GLY 30 OK 57 87 100 66 4.5-4.6 10336/8185=27...(4) QG2 VAL 6 - HA3 GLY 30 poor 15 73 20 - 4.4-7.9 QG1 VAL 6 - HA3 GLY 30 far 0 63 0 - 6.9-9.9 Violated in 0 structures by 0.00 A. Peak 9095 from cnoeabs.peaks (0.77, 4.31, 55.72 ppm; 4.42 A increased from 3.73 A): 1 out of 3 assignments used, quality = 0.84: QG1 VAL 29 + HA LYS 31 OK 84 92 100 91 4.3-4.3 8197/3.0=67, 8210/833=59 QG2 ILE 28 - HA LYS 31 far 0 99 0 - 6.9-7.0 QD1 ILE 11 - HA LYS 31 far 0 100 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 9097 from cnoeabs.peaks (1.01, 4.45, 44.47 ppm; 4.41 A increased from 4.15 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 33 + HA2 GLY 32 OK 99 99 100 100 4.1-4.3 8222=87, 8211/1.8=81...(5) HG12 ILE 11 - HA2 GLY 32 far 0 59 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 9098 from cnoeabs.peaks (0.73, 4.45, 44.47 ppm; 5.18 A increased from 4.61 A): 1 out of 4 assignments used, quality = 0.89: QG1 VAL 29 + HA2 GLY 32 OK 89 90 100 100 5.1-5.1 8210/6412=88...(7) QG2 VAL 29 - HA2 GLY 32 far 0 100 0 - 6.0-6.3 QD1 ILE 11 - HA2 GLY 32 far 0 65 0 - 6.6-6.9 QD2 LEU 109 - HA2 GLY 32 far 0 87 0 - 7.9-22.5 Violated in 0 structures by 0.00 A. Peak 9099 from cnoeabs.peaks (0.73, 3.83, 44.47 ppm; 5.20 A increased from 4.89 A): 1 out of 3 assignments used, quality = 0.84: QG1 VAL 29 + HA3 GLY 32 OK 84 84 100 100 5.1-5.2 8210/6413=86...(7) QG2 VAL 29 - HA3 GLY 32 far 0 100 0 - 6.2-6.2 QD2 LEU 109 - HA3 GLY 32 far 0 81 0 - 8.4-23.4 Violated in 3 structures by 0.00 A. Peak 9103 from cnoeabs.peaks (0.68, 3.95, 71.45 ppm; 4.87 A increased from 4.58 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 28 + HB THR 33 OK 100 100 100 100 4.7-4.8 9104/2.1=99, 10329=98...(14) Violated in 0 structures by 0.00 A. Peak 9104 from cnoeabs.peaks (0.69, 1.02, 21.57 ppm; 2.87 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 28 + QG2 THR 33 OK 98 100 100 98 2.2-2.3 8551=48, 2.1/9105=43...(17) QG2 VAL 29 - QG2 THR 33 far 0 63 0 - 4.5-4.7 Violated in 0 structures by 0.00 A. Peak 9105 from cnoeabs.peaks (1.27, 1.02, 21.57 ppm; 3.61 A increased from 3.20 A): 1 out of 1 assignment used, quality = 1.00: HG12 ILE 28 + QG2 THR 33 OK 100 100 100 100 3.3-3.4 2.1/9104=84, 768/8221=55...(17) Violated in 0 structures by 0.00 A. Peak 9106 from cnoeabs.peaks (1.42, 1.02, 21.57 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.99: HG13 ILE 11 + QG2 THR 33 OK 99 100 100 99 2.5-3.3 8552/9104=64...(14) HB2 LEU 36 - QG2 THR 33 far 0 68 0 - 6.7-6.9 HG2 LYS 31 - QG2 THR 33 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 9107 from cnoeabs.peaks (1.63, 1.02, 21.57 ppm; 4.07 A increased from 3.61 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 28 + QG2 THR 33 OK 100 100 100 100 3.8-3.9 785/9104=79, 3.0/8221=79...(20) HB ILE 11 + QG2 THR 33 OK 96 100 100 96 4.2-4.5 2.9/9106=69, 187/8214=43...(10) HB3 LYS 13 - QG2 THR 33 far 0 84 0 - 8.0-8.6 HD2 LYS 31 - QG2 THR 33 far 0 100 0 - 8.7-10.2 HD3 LYS 31 - QG2 THR 33 far 0 100 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 9110 from cnoeabs.peaks (3.74, 5.25, 59.81 ppm; 4.72 A increased from 4.44 A): 1 out of 2 assignments used, quality = 1.00: HB2 SER 34 + HA THR 33 OK 100 100 100 100 4.6-4.7 9116=100, 1.8/9117=87...(6) HD3 PRO 35 - HA THR 33 far 0 96 0 - 6.4-6.6 Violated in 1 structures by 0.00 A. Peak 9111 from cnoeabs.peaks (4.25, 3.95, 71.45 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 28 + HB THR 33 OK 100 100 100 100 3.4-3.6 8221/2.1=90, 8223/936=70...(14) HA VAL 29 - HB THR 33 far 0 93 0 - 7.1-7.4 HA LEU 109 - HB THR 33 far 0 100 0 - 7.4-20.9 Violated in 0 structures by 0.00 A. Peak 9113 from cnoeabs.peaks (9.18, 3.95, 71.45 ppm; 5.08 A increased from 4.07 A): 1 out of 2 assignments used, quality = 1.00: H GLN 27 + HB THR 33 OK 100 100 100 100 4.6-4.9 8980=100, 6324/8217=90...(7) H LEU 12 - HB THR 33 far 0 93 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 9115 from cnoeabs.peaks (9.19, 3.65, 64.80 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.98: H GLN 27 + HB3 SER 34 OK 98 99 100 99 4.2-5.1 8228/6430=75...(12) Violated in 1 structures by 0.03 A. Peak 9116 from cnoeabs.peaks (5.25, 3.74, 64.80 ppm; 4.72 A increased from 4.20 A): 1 out of 1 assignment used, quality = 1.00: HA THR 33 + HB2 SER 34 OK 100 100 100 100 4.6-4.7 9110=100, 9117/1.8=88...(6) Violated in 1 structures by 0.00 A. Peak 9117 from cnoeabs.peaks (5.24, 3.65, 64.80 ppm; 4.25 A increased from 4.00 A): 1 out of 1 assignment used, quality = 0.97: HA THR 33 + HB3 SER 34 OK 97 98 100 99 4.1-4.3 6425/6430=80...(5) Violated in 1 structures by 0.00 A. Peak 9122 from cnoeabs.peaks (2.06, 3.74, 64.80 ppm; 4.90 A increased from 3.92 A): 1 out of 3 assignments used, quality = 0.99: HG2 GLN 27 + HB2 SER 34 OK 99 99 100 100 3.5-4.8 8557/1.8=91...(9) HG2 PRO 35 - HB2 SER 34 far 0 100 0 - 5.8-6.2 HG3 GLU 110 - HB2 SER 34 far 0 75 0 - 9.1-24.8 Violated in 0 structures by 0.00 A. Peak 9123 from cnoeabs.peaks (2.18, 3.74, 64.80 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: HG3 GLN 27 + HB2 SER 34 OK 100 100 100 100 1.9-5.2 8195/8232=86...(9) HB2 PRO 35 - HB2 SER 34 far 0 100 0 - 6.4-6.8 HG2 GLU 110 - HB2 SER 34 far 0 98 0 - 8.3-26.5 Violated in 4 structures by 0.05 A. Peak 9124 from cnoeabs.peaks (1.81, 3.65, 64.80 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 29 + HB3 SER 34 OK 100 100 100 100 3.2-3.9 9064=100, 2.1/10350=99...(10) HB3 GLU 110 - HB3 SER 34 far 0 95 0 - 7.8-26.0 Violated in 0 structures by 0.00 A. Peak 9125 from cnoeabs.peaks (2.17, 3.65, 64.80 ppm; 4.57 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLN 27 + HB3 SER 34 OK 99 99 100 100 1.7-3.5 1.8/8557=90...(15) HB2 PRO 35 - HB3 SER 34 far 0 99 0 - 6.7-7.0 HG2 GLU 110 - HB3 SER 34 far 0 99 0 - 9.8-27.1 Violated in 0 structures by 0.00 A. Peak 9132 from cnoeabs.peaks (5.30, 1.76, 31.95 ppm; 5.56 A increased from 4.45 A): 1 out of 1 assignment used, quality = 0.98: HA ASP 26 + HB3 PRO 35 OK 98 98 100 100 5.4-5.5 8549/2.3=97, 8547/3.9=82...(6) Violated in 0 structures by 0.00 A. Peak 9137 from cnoeabs.peaks (9.02, 3.75, 50.66 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.99: H SER 34 + HD3 PRO 35 OK 99 99 100 100 4.7-4.9 4.8=100 H ASP 26 - HD3 PRO 35 far 0 91 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 9138 from cnoeabs.peaks (8.99, 3.70, 50.66 ppm; 5.50 A): 1 out of 2 assignments used, quality = 0.94: H SER 34 + HD2 PRO 35 OK 94 94 100 100 4.8-4.8 4.8=100 H ASP 26 - HD2 PRO 35 far 0 100 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 9139 from cnoeabs.peaks (7.82, 1.76, 31.95 ppm; 4.96 A increased from 4.67 A): 1 out of 1 assignment used, quality = 0.99: H THR 37 + HB3 PRO 35 OK 99 100 100 99 4.8-4.9 8268/2.3=85, 6447/3.9=80...(4) Violated in 0 structures by 0.00 A. Peak 9140 from cnoeabs.peaks (9.19, 1.46, 44.48 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.99: H GLN 27 + HB2 LEU 36 OK 99 99 100 100 2.5-2.8 8997=98, 9141/1.8=71...(14) H LEU 12 - HB2 LEU 36 far 0 84 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 9141 from cnoeabs.peaks (9.19, 1.75, 44.48 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.99: H GLN 27 + HB3 LEU 36 OK 99 99 100 100 3.7-4.1 8996=96, 8997/1.8=87...(14) H LEU 12 - HB3 LEU 36 far 0 84 0 - 8.7-8.8 Violated in 0 structures by 0.00 A. Peak 9142 from cnoeabs.peaks (9.17, 1.15, 24.55 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.99: H GLN 27 + QD1 LEU 36 OK 99 99 100 100 4.1-4.4 8998=78, 2.9/9158=60...(17) H LEU 12 - QD1 LEU 36 far 0 100 0 - 9.8-9.9 Violated in 2 structures by 0.01 A. Peak 9143 from cnoeabs.peaks (9.02, 1.15, 24.55 ppm; 4.52 A): 0 out of 2 assignments used, quality = 0.00: H SER 34 - QD1 LEU 36 far 0 99 0 - 6.1-6.2 H ASP 26 - QD1 LEU 36 far 0 91 0 - 6.8-7.0 Violated in 20 structures by 1.25 A. Peak 9145 from cnoeabs.peaks (9.00, 0.79, 25.52 ppm; 5.13 A): 2 out of 3 assignments used, quality = 1.00: H ASP 26 + QD2 LEU 36 OK 99 100 100 99 5.1-5.3 6315/8247=50, ~8161=43...(13) H ILE 11 + QD2 LEU 36 OK 76 77 100 98 4.4-4.6 4.5/8238=74...(8) H SER 34 - QD2 LEU 36 far 0 97 0 - 6.3-6.4 Violated in 0 structures by 0.00 A. Peak 9146 from cnoeabs.peaks (7.44, 0.79, 25.52 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.93: HZ2 TRP 60 + QD2 LEU 36 OK 93 93 100 100 3.2-3.4 8239/2.1=86, 9607=49...(18) H VAL 25 - QD2 LEU 36 far 0 100 0 - 5.6-5.7 Violated in 0 structures by 0.00 A. Peak 9147 from cnoeabs.peaks (6.69, 0.79, 25.52 ppm; 5.60 A increased from 4.98 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 27 + QD2 LEU 36 OK 100 100 100 100 5.2-5.3 9148/2.1=95, 1.7/9149=89...(9) Violated in 0 structures by 0.00 A. Peak 9148 from cnoeabs.peaks (6.70, 1.15, 24.55 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 27 + QD1 LEU 36 OK 100 100 100 100 3.7-3.9 1.7/9150=76, 3.5/8254=61...(12) Violated in 0 structures by 0.00 A. Peak 9149 from cnoeabs.peaks (7.16, 0.79, 25.52 ppm; 5.29 A increased from 4.23 A): 1 out of 4 assignments used, quality = 0.97: HE21 GLN 27 + QD2 LEU 36 OK 97 97 100 100 5.1-5.3 9150/2.1=92, 1.7/9147=75...(9) HD1 TRP 60 - QD2 LEU 36 far 0 68 0 - 6.5-6.6 QD PHE 40 - QD2 LEU 36 far 0 68 0 - 8.1-8.4 HD2 HIS 59 - QD2 LEU 36 far 0 63 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 9150 from cnoeabs.peaks (7.16, 1.15, 24.55 ppm; 4.51 A increased from 3.80 A): 1 out of 4 assignments used, quality = 0.97: HE21 GLN 27 + QD1 LEU 36 OK 97 97 100 100 4.3-4.4 1.7/9148=80...(12) HD1 TRP 60 - QD1 LEU 36 far 0 68 0 - 5.3-5.6 HD2 HIS 59 - QD1 LEU 36 far 0 63 0 - 7.4-11.2 QD PHE 40 - QD1 LEU 36 far 0 68 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 9154 from cnoeabs.peaks (5.32, 1.46, 44.48 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: HA ASP 26 + HB2 LEU 36 OK 100 100 100 100 3.1-3.5 8161/1.8=89...(14) HA PHE 10 + HB2 LEU 36 OK 92 100 100 92 5.1-5.4 8730/8997=49...(9) Violated in 0 structures by 0.00 A. Peak 9155 from cnoeabs.peaks (5.03, 1.75, 44.48 ppm; 5.10 A increased from 4.53 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 27 + HB3 LEU 36 OK 100 100 100 100 4.6-5.0 9158/3.1=75, 2.9/9141=73...(20) HA PRO 35 + HB3 LEU 36 OK 93 97 100 96 4.8-4.9 8268/6450=76...(4) Violated in 0 structures by 0.00 A. Peak 9156 from cnoeabs.peaks (5.33, 1.75, 44.48 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.99: HA ASP 26 + HB3 LEU 36 OK 96 96 100 100 3.3-3.7 8161=91, 9179/6450=74...(15) HG1 THR 37 + HB3 LEU 36 OK 69 70 100 99 3.6-4.0 4.7/6450=60, ~8261=51...(12) HA PHE 10 - HB3 LEU 36 far 0 100 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 9157 from cnoeabs.peaks (4.89, 1.75, 44.48 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: HA THR 37 + HB3 LEU 36 OK 100 100 100 100 4.4-4.4 3.0/6450=95, ~6449=65...(18) Violated in 0 structures by 0.00 A. Peak 9158 from cnoeabs.peaks (5.04, 1.15, 24.55 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.98: HA GLN 27 + QD1 LEU 36 OK 98 98 100 100 4.3-4.6 2.9/9142=66, 9160/2.1=61...(27) HA PRO 35 - QD1 LEU 36 far 0 100 0 - 5.3-5.6 Violated in 3 structures by 0.01 A. Peak 9159 from cnoeabs.peaks (5.32, 1.15, 24.55 ppm; 5.59 A increased from 4.71 A): 3 out of 3 assignments used, quality = 1.00: HA PHE 10 + QD1 LEU 36 OK 100 100 100 100 5.8-6.0 3.7/8241=84...(13) HA ASP 26 + QD1 LEU 36 OK 99 99 100 100 5.1-5.4 6322/9142=88...(14) HG1 THR 37 + QD1 LEU 36 OK 61 61 100 100 5.8-6.2 3.0/8260=94, ~8262=74...(11) Violated in 0 structures by 0.00 A. Peak 9160 from cnoeabs.peaks (5.04, 0.79, 25.52 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.95: HA GLN 27 + QD2 LEU 36 OK 95 95 100 100 3.1-3.3 9158/2.1=87...(29) HA PRO 35 - QD2 LEU 36 far 0 100 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 9161 from cnoeabs.peaks (5.32, 0.79, 25.52 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: HA PHE 10 + QD2 LEU 36 OK 99 100 100 99 4.1-4.4 3.7/8238=72...(14) HA ASP 26 + QD2 LEU 36 OK 99 100 100 100 4.4-4.7 8161/3.1=64...(14) Violated in 0 structures by 0.00 A. Peak 9162 from cnoeabs.peaks (3.71, 0.79, 25.52 ppm; 4.50 A): 1 out of 5 assignments used, quality = 1.00: HA LEU 55 + QD2 LEU 36 OK 100 100 100 100 3.1-3.4 1696/8248=90...(13) HB2 SER 34 - QD2 LEU 36 far 0 77 0 - 5.6-7.6 HD2 PRO 35 - QD2 LEU 36 far 0 97 0 - 7.6-7.7 HA GLU 63 - QD2 LEU 36 far 0 65 0 - 8.6-8.8 HB3 SER 38 - QD2 LEU 36 far 0 99 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 9163 from cnoeabs.peaks (3.69, 1.15, 24.55 ppm; 4.74 A): 2 out of 4 assignments used, quality = 0.97: HA LEU 55 + QD1 LEU 36 OK 95 95 100 100 4.1-4.3 1696/8250=76...(11) HB3 SER 34 + QD1 LEU 36 OK 50 61 95 86 5.0-6.0 8557/8254=37...(7) HD2 PRO 35 - QD1 LEU 36 far 0 100 0 - 6.1-6.3 HB3 SER 38 - QD1 LEU 36 far 0 99 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 9164 from cnoeabs.peaks (2.19, 1.15, 24.55 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.99: HG3 GLN 27 + QD1 LEU 36 OK 99 99 100 100 3.9-4.3 1.8/8254=78, 3.5/9148=50...(22) HB2 PRO 35 - QD1 LEU 36 far 0 99 0 - 6.6-7.0 Violated in 2 structures by 0.01 A. Peak 9165 from cnoeabs.peaks (3.00, 0.79, 25.52 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: HE3 LYS 58 + QD2 LEU 36 OK 100 100 100 100 2.9-3.9 9554=99, 8242/2.1=90...(21) HB2 TRP 60 - QD2 LEU 36 far 0 71 0 - 7.7-7.8 HB3 ASN 68 - QD2 LEU 36 far 0 100 0 - 8.5-8.7 HB2 ASN 68 - QD2 LEU 36 far 0 100 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 9166 from cnoeabs.peaks (2.85, 0.79, 25.52 ppm; 4.78 A increased from 4.50 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 58 + QD2 LEU 36 OK 99 99 100 100 3.5-4.7 1.8/9554=95...(20) HB2 PHE 10 + QD2 LEU 36 OK 69 70 100 100 4.5-4.6 2.5/8238=94, ~8241=56...(13) Violated in 0 structures by 0.00 A. Peak 9167 from cnoeabs.peaks (3.01, 1.57, 27.00 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: HE3 LYS 58 + HG LEU 36 OK 100 100 100 100 2.0-3.1 8242/2.1=90, 9554/2.1=81...(18) HB2 PHE 99 - HG LEU 12 far 0 44 0 - 7.5-8.3 HB3 PHE 41 - HG LEU 109 far 0 48 0 - 8.9-25.6 HD2 ARG 44 - HG LEU 109 far 0 29 0 - 9.9-26.9 Violated in 0 structures by 0.00 A. Peak 9168 from cnoeabs.peaks (1.97, 1.75, 44.48 ppm; 5.02 A): 3 out of 4 assignments used, quality = 1.00: HB2 GLN 27 + HB3 LEU 36 OK 100 100 100 100 4.0-4.8 4.0/9141=59, 8253/3.1=47...(21) HB3 GLN 27 + HB3 LEU 36 OK 99 99 100 100 3.6-3.7 4.0/9141=59, 8253/3.1=46...(22) HB2 GLU 54 + HB3 LEU 36 OK 62 98 100 63 4.8-5.4 9192/8245=31...(6) HB VAL 69 - HB3 LEU 36 far 0 100 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 9169 from cnoeabs.peaks (1.97, 0.79, 25.52 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLN 27 + QD2 LEU 36 OK 100 100 100 100 1.9-2.3 8253/2.1=43...(27) HB3 GLN 27 + QD2 LEU 36 OK 99 99 100 100 2.6-3.2 3.0/10351=43...(28) HB2 GLU 54 - QD2 LEU 36 poor 20 98 20 - 4.3-4.9 HB VAL 69 - QD2 LEU 36 far 0 100 0 - 5.8-6.1 HB VAL 6 - QD2 LEU 36 far 0 85 0 - 8.7-11.2 HB3 LEU 70 - QD2 LEU 36 far 0 92 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 9170 from cnoeabs.peaks (0.98, 1.15, 24.55 ppm; 2.92 A): 0 out of 4 assignments used, quality = 0.00: QG2 THR 37 - QD1 LEU 36 far 0 98 0 - 3.6-3.8 QG1 VAL 25 - QD1 LEU 36 far 0 99 0 - 4.2-4.4 QG2 THR 33 - QD1 LEU 36 far 0 71 0 - 7.2-7.3 HG13 ILE 28 - QD1 LEU 36 far 0 77 0 - 8.0-8.2 Violated in 20 structures by 0.55 A. Peak 9171 from cnoeabs.peaks (7.78, 4.88, 59.08 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.65: H THR 37 + HA THR 37 OK 65 65 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 9172 from cnoeabs.peaks (7.43, 4.59, 72.20 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.95: H VAL 25 + HB THR 37 OK 95 95 100 100 4.4-4.7 8266/2.1=90, 8959/2.8=80...(5) HZ2 TRP 60 - HB THR 37 far 0 77 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 9173 from cnoeabs.peaks (7.08, 4.59, 72.20 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 40 + HB THR 37 OK 96 100 100 96 2.0-3.1 2.2/10395=49, ~10400=33...(13) QE PHE 40 + HB THR 37 OK 91 93 100 98 2.3-3.3 10400/2.1=52, 10395=51...(17) Violated in 0 structures by 0.00 A. Peak 9176 from cnoeabs.peaks (8.46, 1.00, 19.20 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.95: H LEU 55 + QG2 THR 37 OK 95 95 100 100 3.5-3.6 6707/8258=80...(12) Violated in 0 structures by 0.00 A. Peak 9178 from cnoeabs.peaks (5.37, 4.59, 72.20 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: HG1 THR 37 + HB THR 37 OK 100 100 100 100 2.7-2.9 2.8=100 Violated in 0 structures by 0.00 A. Peak 9180 from cnoeabs.peaks (5.36, 1.00, 19.20 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HG1 THR 37 + QG2 THR 37 OK 100 100 100 100 2.0-2.3 3.0=100 HA VAL 14 - QG2 THR 37 far 0 100 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 9181 from cnoeabs.peaks (4.59, 3.49, 63.43 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: HB THR 37 + HB2 SER 38 OK 100 100 100 100 4.5-4.8 1074/1085=82...(11) HA PHE 41 - HA PRO 43 far 0 41 0 - 6.6-6.6 HA PHE 41 - HB2 SER 38 far 0 85 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 9182 from cnoeabs.peaks (4.25, 4.59, 72.20 ppm; 5.02 A increased from 4.23 A): 2 out of 3 assignments used, quality = 1.00: HA ALA 24 + HB THR 37 OK 99 100 100 99 4.7-5.2 8955/2.8=83, 3.6/9172=59...(8) HA SER 38 + HB THR 37 OK 98 98 100 100 4.8-5.1 3.0/1074=89, 3.0/9181=68...(8) HA ALA 47 - HB THR 37 far 0 87 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 9183 from cnoeabs.peaks (4.24, 1.00, 19.20 ppm; 4.94 A increased from 4.65 A): 2 out of 4 assignments used, quality = 0.98: HA ALA 24 + QG2 THR 37 OK 97 97 100 100 4.5-4.9 6303/8266=80...(10) HA SER 38 + QG2 THR 37 OK 35 100 35 99 5.5-5.6 ~1074=57, ~6461=57...(11) HA ALA 47 - QG2 THR 37 far 0 99 0 - 7.9-8.4 HA ILE 28 - QG2 THR 37 far 0 98 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 9184 from cnoeabs.peaks (3.70, 1.00, 19.20 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.99: HA LEU 55 + QG2 THR 37 OK 99 99 100 100 4.0-4.4 1696/8258=88...(10) HB3 SER 38 - QG2 THR 37 far 0 100 0 - 6.1-6.3 HA GLN 50 - QG2 THR 37 far 0 100 0 - 6.6-7.0 HD2 PRO 35 - QG2 THR 37 far 0 100 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 9185 from cnoeabs.peaks (3.48, 1.00, 19.20 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.98: HA LEU 51 + QG2 THR 37 OK 98 98 100 100 3.1-3.5 10427=97, 1448/9192=53...(13) HB2 SER 38 - QG2 THR 37 far 0 100 0 - 5.7-5.9 HA ARG 66 - QG2 THR 37 far 0 87 0 - 6.5-6.7 HA GLN 49 - QG2 THR 37 far 0 84 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 9186 from cnoeabs.peaks (3.00, 1.00, 19.20 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: HE3 LYS 58 + QG2 THR 37 OK 100 100 100 100 2.9-3.8 9555=99, 1.8/9557=73...(8) Violated in 0 structures by 0.00 A. Peak 9187 from cnoeabs.peaks (2.85, 1.00, 19.20 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.98: HE2 LYS 58 + QG2 THR 37 OK 98 99 100 100 4.0-4.1 9557=99, 1.8/9555=89...(7) HB2 PHE 10 - QG2 THR 37 far 0 70 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 9188 from cnoeabs.peaks (2.24, 1.00, 19.20 ppm; 3.79 A increased from 3.57 A): 1 out of 1 assignment used, quality = 0.95: HG3 GLU 54 + QG2 THR 37 OK 95 95 100 100 3.5-3.7 8343=94, 1.8/8264=82...(12) Violated in 0 structures by 0.00 A. Peak 9189 from cnoeabs.peaks (2.14, 1.00, 19.20 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLU 54 + QG2 THR 37 OK 100 100 100 100 2.2-2.6 9475=84, 1.8/9192=80...(12) HG2 GLU 110 - QG2 THR 37 far 0 87 0 - 9.7-21.4 Violated in 0 structures by 0.00 A. Peak 9190 from cnoeabs.peaks (3.48, 4.59, 72.20 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 38 + HB THR 37 OK 98 99 100 100 4.5-4.8 9181=81, 1085/1074=74...(11) HA LEU 51 + HB THR 37 OK 98 99 100 98 3.7-4.4 10427/2.1=80...(7) HA ARG 66 - HB THR 37 far 0 92 0 - 9.9-10.1 HA GLN 49 - HB THR 37 far 0 90 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 9192 from cnoeabs.peaks (1.96, 1.00, 19.20 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLU 54 + QG2 THR 37 OK 100 100 100 100 1.8-1.9 8340=69, 1.8/9189=68...(17) HB3 GLN 27 - QG2 THR 37 far 0 91 0 - 5.4-5.5 HB2 GLN 27 - QG2 THR 37 far 0 94 0 - 5.6-6.2 HB VAL 69 - QG2 THR 37 far 0 96 0 - 6.0-6.5 HB3 LEU 70 - QG2 THR 37 far 0 99 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 9193 from cnoeabs.peaks (0.87, 4.59, 72.20 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.96: QD1 LEU 51 + HB THR 37 OK 96 99 100 98 3.8-4.1 8156/10395=56, 10291=43...(13) QG2 VAL 25 - HB THR 37 far 0 91 0 - 5.6-6.0 QD1 LEU 12 - HB THR 37 far 0 90 0 - 7.4-7.8 QG1 VAL 69 - HB THR 37 far 0 87 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 9199 from cnoeabs.peaks (0.19, 4.52, 58.40 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.97: QB ALA 24 + HA TYR 39 OK 97 99 100 98 2.0-2.5 8146=84, 8279/6480=52...(6) QG1 VAL 102 - HA TYR 39 far 0 63 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 9200 from cnoeabs.peaks (0.11, 4.52, 58.40 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.97: QB ALA 22 + HA TYR 39 OK 97 98 100 99 3.4-3.6 8129/3.0=64...(7) QD1 LEU 15 - HA TYR 39 far 0 100 0 - 4.6-5.4 Violated in 0 structures by 0.00 A. Peak 9201 from cnoeabs.peaks (0.12, 2.03, 39.77 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 22 + HB2 TYR 39 OK 99 99 100 100 2.1-2.3 8129=99, 8134/2.5=73...(8) QD1 LEU 15 + HB2 TYR 39 OK 86 100 100 86 2.9-3.6 8822/2.5=46, 8101/4.4=30...(6) Violated in 0 structures by 0.00 A. Peak 9202 from cnoeabs.peaks (0.13, 2.51, 39.77 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 22 + HB3 TYR 39 OK 100 100 100 100 3.7-3.8 8130=99, 8129/1.8=98...(9) QD1 LEU 15 + HB3 TYR 39 OK 95 99 100 96 3.4-4.0 8822/2.5=66, 8101/4.4=44...(7) QD1 ILE 61 - HB2 ASP 53 far 0 60 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 9203 from cnoeabs.peaks (6.95, 2.03, 39.77 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.75: QE PHE 41 + HB2 TYR 39 OK 75 96 100 78 2.9-4.7 11151/8129=51...(4) HD22 ASN 108 - HB2 TYR 39 far 0 100 0 - 7.0-19.1 H LEU 17 - HB2 TYR 39 far 0 79 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 9204 from cnoeabs.peaks (6.94, 2.51, 39.77 ppm; 5.12 A): 3 out of 5 assignments used, quality = 0.91: QE PHE 41 + HB3 TYR 39 OK 76 82 100 92 3.1-5.0 9203/1.8=86...(3) QD PHE 41 + HB3 TYR 39 OK 50 59 100 85 4.3-5.1 ~9203=64, 8135/8130=54 H ALA 57 + HB2 ASP 53 OK 25 41 80 76 5.0-6.2 6729/3.0=52, 9453/4.5=32 HD22 ASN 108 - HB3 TYR 39 far 0 96 0 - 7.1-18.9 HZ3 TRP 48 - HB2 ASP 53 far 0 78 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 9208 from cnoeabs.peaks (0.14, 6.35, 117.86 ppm; 5.06 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 22 + QE TYR 39 OK 96 96 100 100 3.9-4.4 8890=97, 8134/2.2=96...(9) QD1 LEU 15 + QE TYR 39 OK 87 88 100 100 2.7-3.3 8101=86, 2.1/8104=83...(10) Violated in 0 structures by 0.00 A. Peak 9214 from cnoeabs.peaks (1.42, 3.40, 41.01 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.98: QB ALA 47 + HB3 PHE 40 OK 98 98 100 100 2.7-3.0 8307/1.8=83, 8309=82...(16) HB3 LYS 52 - HB3 PHE 40 far 0 92 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 9216 from cnoeabs.peaks (1.42, 2.66, 41.01 ppm; 3.93 A): 1 out of 7 assignments used, quality = 0.98: QB ALA 47 + HB2 PHE 40 OK 98 98 100 100 2.1-2.9 8307=98, 9214/1.8=72...(18) HB2 LYS 88 - HB2 ASP 82 far 0 70 0 - 6.5-7.2 HG LEU 70 - HB3 ASP 65 far 0 84 0 - 8.0-8.7 HB3 LYS 52 - HB2 PHE 40 far 0 92 0 - 9.0-10.0 HG13 ILE 11 - HB3 ASP 65 far 0 87 0 - 9.9-11.1 HB3 LYS 52 - HB3 ASP 65 far 0 77 0 - 9.9-12.8 HG LEU 70 - HB2 PHE 40 far 0 98 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 9217 from cnoeabs.peaks (1.58, 2.66, 41.01 ppm; 4.32 A): 1 out of 11 assignments used, quality = 0.89: QB ALA 62 + HB3 ASP 65 OK 89 89 100 100 2.2-3.0 8390=99, 8412/6847=86...(12) HB3 LEU 83 - HB2 ASP 82 far 0 77 0 - 5.0-5.6 HB2 ARG 66 - HB3 ASP 65 far 0 84 0 - 5.1-5.9 HB2 LEU 55 - HB3 ASP 65 far 0 65 0 - 5.9-7.2 HG13 ILE 67 - HB3 ASP 65 far 0 74 0 - 6.4-6.5 HG13 ILE 77 - HB2 PHE 40 far 0 100 0 - 7.4-7.8 HB3 LYS 58 - HB3 ASP 65 far 0 73 0 - 7.8-8.5 HB3 LYS 13 - HB2 PHE 40 far 0 87 0 - 8.3-10.3 HG2 ARG 44 - HB2 PHE 40 far 0 100 0 - 8.6-10.8 HG LEU 36 - HB3 ASP 65 far 0 86 0 - 8.7-9.4 HG3 ARG 44 - HB2 PHE 40 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 9218 from cnoeabs.peaks (1.71, 7.13, 132.58 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: HG12 ILE 23 + QD PHE 40 OK 98 98 100 100 2.0-3.0 8902=98, 2.1/8904=94...(17) HB VAL 25 + QD PHE 40 OK 79 100 100 79 5.4-5.7 668/9220=41...(7) HG LEU 55 - QD PHE 40 far 0 68 0 - 7.1-7.5 HB3 LEU 36 - QD PHE 40 far 0 62 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 9219 from cnoeabs.peaks (1.10, 7.13, 132.58 ppm; 5.44 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 51 + QD PHE 40 OK 100 100 100 100 2.4-4.0 3.1/9220=87...(31) HG LEU 51 + QD PHE 40 OK 99 99 100 100 5.4-5.7 2.1/9220=95...(25) HB VAL 14 - QD PHE 40 far 0 93 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 9220 from cnoeabs.peaks (0.86, 7.13, 132.58 ppm; 4.40 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 51 + QD PHE 40 OK 100 100 100 100 3.8-4.0 8156/2.2=94...(23) QD1 LEU 12 - QD PHE 40 far 5 98 5 - 4.9-5.7 QG2 VAL 25 - QD PHE 40 far 0 98 0 - 5.1-5.5 QD1 LEU 17 - QD PHE 40 far 0 91 0 - 8.4-9.0 QG1 VAL 69 - QD PHE 40 far 0 64 0 - 8.5-8.8 QG1 VAL 103 - QD PHE 40 far 0 95 0 - 8.9-10.8 QG2 VAL 103 - QD PHE 40 far 0 58 0 - 9.4-11.2 QG2 VAL 102 - QD PHE 40 far 0 94 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 9222 from cnoeabs.peaks (4.23, 2.66, 41.01 ppm; 4.41 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 47 + HB2 PHE 40 OK 100 100 100 100 2.4-2.8 2.1/8307=88, 9223/1.8=79...(11) HA ALA 24 + HB2 PHE 40 OK 72 84 100 85 4.5-5.0 8966/2.5=54...(7) HA SER 38 - HB2 PHE 40 far 0 98 0 - 7.5-7.9 HA HIS 59 - HB3 ASP 65 far 0 79 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 9223 from cnoeabs.peaks (4.23, 3.40, 41.01 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: HA ALA 47 + HB3 PHE 40 OK 100 100 100 100 1.9-2.0 2.1/9214=79, 8310=77...(11) HA ALA 24 - HB3 PHE 40 far 0 90 0 - 6.1-6.5 HA SER 38 - HB3 PHE 40 far 0 99 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 9224 from cnoeabs.peaks (4.25, 7.13, 132.58 ppm; 5.99 A): 3 out of 3 assignments used, quality = 1.00: HA ALA 24 + QD PHE 40 OK 100 100 100 100 2.8-3.6 9221/6488=92, 8966=90...(12) HA SER 38 + QD PHE 40 OK 94 96 100 98 6.1-6.3 ~10881=58, ~8271=38...(13) HA ALA 47 + QD PHE 40 OK 83 83 100 100 3.6-3.9 2.1/9289=99, ~8307=85...(18) Violated in 0 structures by 0.00 A. Peak 9227 from cnoeabs.peaks (9.29, 6.90, 131.05 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: H TRP 42 + QD PHE 41 OK 99 99 100 100 2.6-4.1 4.6=100 H PHE 41 + QD PHE 41 OK 95 95 100 100 2.0-3.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 9228 from cnoeabs.peaks (5.04, 6.90, 131.05 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.91: HA PHE 40 + QD PHE 41 OK 91 95 100 96 3.3-4.6 6494/6503=88, 9229/2.5=62 HA LEU 17 - QD PHE 41 far 0 99 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 9229 from cnoeabs.peaks (5.04, 3.03, 42.10 ppm; 5.75 A increased from 5.41 A): 1 out of 3 assignments used, quality = 0.95: HA PHE 40 + HB3 PHE 41 OK 95 96 100 99 4.3-5.5 3.6/6502=93, 9228/2.5=85 HA GLN 27 - HE3 LYS 58 far 0 69 0 - 7.3-8.9 HA PRO 35 - HE3 LYS 58 far 0 78 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 9230 from cnoeabs.peaks (0.82, 6.90, 131.05 ppm; 4.91 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 17 + QD PHE 41 OK 97 97 100 100 2.7-3.8 11146/2.2=88...(13) QD2 LEU 17 + QD PHE 41 OK 81 91 90 100 4.7-6.1 10830/2.2=85, ~11146=63...(10) QG2 ILE 23 - QD PHE 41 far 0 93 0 - 6.7-7.2 QD1 LEU 109 - QD PHE 41 far 0 93 0 - 6.8-17.4 HG LEU 15 - QD PHE 41 far 0 93 0 - 7.8-8.4 QD1 LEU 12 - QD PHE 41 far 0 87 0 - 9.4-10.1 QD1 LEU 51 - QD PHE 41 far 0 67 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 9231 from cnoeabs.peaks (0.13, 6.90, 131.05 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 22 + QD PHE 41 OK 100 100 100 100 2.5-3.2 11151/2.2=98, 8135=96...(12) QD1 LEU 15 + QD PHE 41 OK 91 95 100 96 4.7-5.6 8821/3.8=70, 8102/2.2=66...(7) Violated in 0 structures by 0.00 A. Peak 9234 from cnoeabs.peaks (0.13, 4.61, 58.38 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 22 + HA PHE 41 OK 100 100 100 100 2.0-2.2 8132=100, 2.1/8133=72...(11) QD1 LEU 15 - HA PHE 41 far 0 98 0 - 5.6-6.6 Violated in 0 structures by 0.00 A. Peak 9238 from cnoeabs.peaks (1.43, 3.17, 31.06 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 47 + HB3 TRP 42 OK 99 100 100 99 1.9-2.2 8308=50, 9282/4.2=48...(14) * QB ALA 47 + HB2 TRP 42 OK 99 100 100 99 2.1-2.6 8308=50, 8308/1.8=48...(15) HB ILE 77 - HB3 TRP 42 far 0 65 0 - 6.7-7.4 HB ILE 77 - HB2 TRP 42 far 0 65 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 9239 from cnoeabs.peaks (0.31, 3.17, 31.06 ppm; 5.19 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 21 + HB3 TRP 42 OK 100 100 100 100 3.7-4.0 8117=99, 2.1/8869=73...(9) * QG1 VAL 21 + HB2 TRP 42 OK 100 100 100 100 4.8-5.0 8117/1.8=98, 9235/3.8=68...(9) QG2 VAL 76 - HB3 TRP 42 far 0 96 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 9240 from cnoeabs.peaks (8.73, 5.62, 53.20 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: H ALA 45 + HA TRP 42 OK 100 100 100 100 1.8-2.5 8294=100, 9267/2.5=85...(11) Violated in 0 structures by 0.00 A. Peak 9244 from cnoeabs.peaks (5.10, 3.53, 49.50 ppm; 4.52 A increased from 4.26 A): 1 out of 2 assignments used, quality = 0.85: HA ASN 20 + HD2 PRO 43 OK 85 99 100 86 3.9-4.4 9245/1.8=78...(3) HA ASP 46 - HD2 PRO 43 far 0 77 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 9245 from cnoeabs.peaks (5.11, 3.86, 49.50 ppm; 4.48 A increased from 4.21 A): 1 out of 2 assignments used, quality = 0.89: HA ASN 20 + HD3 PRO 43 OK 89 100 100 89 3.8-4.3 9244/1.8=76...(3) HA ASP 46 - HD3 PRO 43 far 0 90 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 9246 from cnoeabs.peaks (5.62, 3.52, 63.05 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HA TRP 42 + HA PRO 43 OK 100 100 100 100 2.4-2.5 2.5=100 HA ALA 22 - HA PRO 43 far 0 98 0 - 7.1-7.3 HA ALA 22 - HB2 SER 38 far 0 51 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 9247 from cnoeabs.peaks (6.88, 3.53, 49.50 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.99: HH2 TRP 80 + HD2 PRO 43 OK 99 99 100 100 3.3-4.6 11129/1.8=97, 10725=66...(7) QD PHE 41 - HD2 PRO 43 poor 19 95 20 - 5.6-7.9 H LEU 17 - HD2 PRO 43 far 0 61 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 9248 from cnoeabs.peaks (7.22, 3.86, 49.50 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: HZ3 TRP 80 + HD3 PRO 43 OK 100 100 100 100 3.7-5.0 2.4/11129=86, ~9247=51...(9) Violated in 2 structures by 0.00 A. Peak 9251 from cnoeabs.peaks (1.47, 3.77, 59.38 ppm; 4.36 A increased from 4.10 A): 2 out of 2 assignments used, quality = 0.99: QB ALA 45 + HA ARG 44 OK 96 100 100 96 4.5-4.6 8293/3.0=77, ~9272=37...(5) HG2 PRO 43 + HA ARG 44 OK 86 100 95 91 4.1-5.8 6527/3.0=64, ~6530=37...(8) Violated in 1 structures by 0.00 A. Peak 9252 from cnoeabs.peaks (2.38, 2.97, 43.70 ppm; 5.28 A increased from 4.69 A): 2 out of 8 assignments used, quality = 0.99: HB2 PHE 41 + HD2 ARG 44 OK 91 100 100 91 2.9-5.8 10896/3.5=62...(6) HB2 PHE 41 + HD3 ARG 44 OK 91 100 100 91 3.9-5.4 10896/3.5=62...(6) HG3 GLN 19 - HD2 ARG 44 far 0 99 0 - 7.9-13.3 HB3 LEU 17 - HD2 ARG 44 far 0 91 0 - 8.2-11.4 HG2 GLN 50 - HD2 ARG 44 far 0 100 0 - 8.3-11.5 HG2 GLN 50 - HD3 ARG 44 far 0 100 0 - 8.5-11.7 HB3 LEU 17 - HD3 ARG 44 far 0 91 0 - 8.6-11.8 HG3 GLN 19 - HD3 ARG 44 far 0 99 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. Peak 9258 from cnoeabs.peaks (9.30, 1.62, 30.40 ppm; 5.88 A): 2 out of 2 assignments used, quality = 1.00: H PHE 41 + HB2 ARG 44 OK 100 100 100 100 4.7-5.0 9232=99, 6502/10899=83...(5) H TRP 42 + HB2 ARG 44 OK 99 100 100 99 3.6-4.7 4.6/10899=72...(7) Violated in 0 structures by 0.00 A. Peak 9261 from cnoeabs.peaks (9.31, 1.47, 21.93 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.88: H PHE 41 + QB ALA 45 OK 88 100 100 88 3.5-4.1 9232/8293=51, 9233=31...(8) H TRP 42 - QB ALA 45 far 0 98 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. Peak 9262 from cnoeabs.peaks (8.16, 5.13, 51.71 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.96: HE3 TRP 42 + HA ASP 46 OK 96 100 100 96 2.9-3.4 9263/6561=62...(8) HE3 TRP 42 - HA ASN 20 far 0 77 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 9265 from cnoeabs.peaks (7.35, 5.13, 51.71 ppm; 4.07 A): 2 out of 6 assignments used, quality = 0.84: HZ3 TRP 42 + HA ASP 46 OK 73 98 80 93 4.2-4.8 2.5/9262=66, 10409=51...(6) H ASN 20 + HA ASN 20 OK 41 41 100 100 2.9-2.9 3.0=100 HE22 GLN 81 - HA ASN 20 far 0 70 0 - 6.0-10.5 HE22 GLN 50 - HA ASP 46 far 0 100 0 - 6.3-7.4 HZ3 TRP 42 - HA ASN 20 far 0 72 0 - 9.8-10.3 HH2 TRP 16 - HA ASN 20 far 0 75 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9266 from cnoeabs.peaks (5.13, 4.51, 49.72 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 46 + HA ALA 45 OK 100 100 100 100 4.3-4.4 4.9=100 Violated in 0 structures by 0.00 A. Peak 9270 from cnoeabs.peaks (2.59, 1.47, 21.93 ppm; 4.76 A increased from 4.48 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 46 + QB ALA 45 OK 100 100 100 100 4.4-4.9 9276=97, 6556/1321=78...(6) HB3 ASP 53 - QB ALA 45 far 0 84 0 - 8.1-8.7 Violated in 1 structures by 0.01 A. Peak 9271 from cnoeabs.peaks (2.04, 1.47, 21.93 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLN 50 + QB ALA 45 OK 99 99 100 100 4.0-4.5 9392=98, 3.5/9394=79...(9) HB2 GLN 49 - QB ALA 45 far 0 85 0 - 6.0-6.4 HB2 TYR 39 - QB ALA 45 far 0 100 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 9272 from cnoeabs.peaks (1.60, 4.51, 49.72 ppm; 4.65 A increased from 4.38 A): 1 out of 5 assignments used, quality = 0.93: HB2 ARG 44 + HA ALA 45 OK 93 94 100 99 4.2-5.0 6542/3.0=77, 8293/2.1=65...(7) HG2 ARG 44 - HA ALA 45 far 8 77 10 - 4.2-6.7 HG3 ARG 44 - HA ALA 45 far 0 73 0 - 5.5-7.0 HB3 PRO 43 - HA ALA 45 far 0 61 0 - 6.9-7.2 HB2 GLN 50 - HA ALA 45 far 0 90 0 - 7.3-7.9 Violated in 2 structures by 0.02 A. Peak 9274 from cnoeabs.peaks (1.42, 5.13, 51.71 ppm; 4.22 A increased from 3.76 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 47 + HA ASP 46 OK 100 100 100 100 4.0-4.0 8312=94, 2.9/6561=81...(7) QB ALA 47 - HA ASN 20 far 0 76 0 - 7.5-7.9 HB ILE 77 - HA ASP 46 far 0 61 0 - 8.6-9.1 HB3 LYS 52 - HA ASP 46 far 0 81 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 9276 from cnoeabs.peaks (1.46, 2.58, 37.84 ppm; 4.81 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 45 + HB2 ASP 46 OK 100 100 100 100 4.4-4.9 9270=99, 1321/6556=78...(6) QB ALA 47 - HB2 ASP 46 far 0 70 0 - 5.5-6.0 HB3 LEU 51 - HB2 ASP 46 far 0 88 0 - 7.4-9.6 HG2 PRO 43 - HB2 ASP 46 far 0 93 0 - 9.5-10.8 Violated in 1 structures by 0.00 A. Peak 9277 from cnoeabs.peaks (2.05, 2.58, 37.84 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 49 + HB2 ASP 46 OK 99 99 100 100 2.1-3.4 9370=97, 9371/1.8=84...(10) HG3 GLN 50 + HB2 ASP 46 OK 62 99 100 63 3.2-5.4 9392/9276=48, 9280/1.8=26 Violated in 0 structures by 0.00 A. Peak 9278 from cnoeabs.peaks (2.24, 2.58, 37.84 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.98: HB3 GLN 49 + HB2 ASP 46 OK 98 98 100 100 3.6-4.8 9372=95, 1.8/9370=94...(10) Violated in 0 structures by 0.00 A. Peak 9279 from cnoeabs.peaks (2.27, 3.17, 37.84 ppm; 4.84 A): 3 out of 6 assignments used, quality = 0.99: HB3 GLN 49 + HB3 ASP 46 OK 93 93 100 100 2.8-3.6 9373=90, 1.8/9371=80...(9) HG2 GLN 49 + HB3 ASP 46 OK 79 79 100 100 3.0-3.7 9374=67, 2.9/9371=67...(11) HG2 GLN 86 + HB3 ASN 85 OK 47 64 80 93 4.5-5.8 3352/4.4=62, ~10010=45...(8) HB2 GLN 86 - HB3 ASN 85 far 0 71 0 - 6.3-7.3 HG3 GLN 89 - HB3 ASN 85 far 0 43 0 - 9.6-15.0 HG2 GLN 89 - HB3 ASN 85 far 0 56 0 - 9.7-14.9 Violated in 0 structures by 0.00 A. Peak 9280 from cnoeabs.peaks (2.05, 3.17, 37.84 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 49 + HB3 ASP 46 OK 99 99 100 100 1.8-2.0 9371=84, 9370/1.8=73...(10) HG3 GLN 50 + HB3 ASP 46 OK 42 99 90 47 3.3-5.3 9277/1.8=26...(3) Violated in 0 structures by 0.00 A. Peak 9281 from cnoeabs.peaks (1.45, 3.17, 37.84 ppm; 5.49 A increased from 4.88 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 45 + HB3 ASP 46 OK 94 94 100 100 4.7-5.6 9276/1.8=91, 3.6/6557=88...(7) QB ALA 47 + HB3 ASP 46 OK 87 88 100 98 5.2-5.4 8312/3.0=78, ~6561=62...(5) HB3 LEU 51 - HB3 ASP 46 far 0 70 0 - 7.1-8.6 HB ILE 77 - HB3 ASP 46 far 0 99 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 9282 from cnoeabs.peaks (8.16, 1.43, 20.20 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.98: HE3 TRP 42 + QB ALA 47 OK 98 100 100 99 3.3-3.7 9263/2.9=70...(12) H PHE 79 - QB ALA 47 far 0 100 0 - 9.1-9.4 H LEU 70 - QB ALA 47 far 0 96 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 9283 from cnoeabs.peaks (8.43, 1.43, 20.20 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.98: H TRP 48 + QB ALA 47 OK 98 98 100 100 2.0-2.3 3.6=100 H ALA 22 - QB ALA 47 far 0 77 0 - 5.8-6.0 H ASN 78 - QB ALA 47 far 0 84 0 - 7.6-7.8 H LEU 55 - QB ALA 47 far 0 96 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (8.77, 1.43, 20.20 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.84: H ILE 23 + QB ALA 47 OK 64 65 100 98 2.7-3.0 5.0/8303=57, 4.9/8305=57...(8) H ALA 45 + QB ALA 47 OK 56 70 100 81 4.5-4.8 ~8295=43, ~8301=33...(7) Violated in 0 structures by 0.00 A. Peak 9285 from cnoeabs.peaks (9.04, 1.43, 20.20 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.84: H PHE 40 + QB ALA 47 OK 84 84 100 100 4.1-4.5 9211=84, 3.0/10401=77...(12) Violated in 0 structures by 0.00 A. Peak 9288 from cnoeabs.peaks (7.13, 4.23, 54.83 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: QD PHE 40 + HA ALA 47 OK 100 100 100 100 3.6-3.9 9289/2.1=93, 2.5/9223=90...(18) HZ PHE 40 - HA ALA 47 far 0 57 0 - 6.7-7.0 HD1 TRP 16 - HA LEU 109 far 0 50 0 - 9.3-19.6 Violated in 0 structures by 0.00 A. Peak 9289 from cnoeabs.peaks (7.12, 1.43, 20.20 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 40 + QB ALA 47 OK 100 100 100 100 3.5-4.2 2.5/8307=77, 2.5/9214=68...(22) HZ PHE 40 - QB ALA 47 far 0 79 0 - 6.9-7.4 Violated in 2 structures by 0.00 A. Peak 9292 from cnoeabs.peaks (2.69, 4.23, 54.83 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.84: HB2 PHE 40 + HA ALA 47 OK 84 84 100 100 2.4-2.8 1.8/9223=92, 9216/2.1=79...(11) Violated in 0 structures by 0.00 A. Peak 9293 from cnoeabs.peaks (0.30, 1.43, 20.20 ppm; 4.52 A increased from 4.26 A): 1 out of 3 assignments used, quality = 0.94: QG1 VAL 21 + QB ALA 47 OK 94 99 100 95 4.3-4.5 9976/10789=67, 8867=41...(8) QG2 VAL 76 - QB ALA 47 far 0 100 0 - 7.4-7.7 QD2 LEU 55 - QB ALA 47 far 0 71 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 9295 from cnoeabs.peaks (3.56, 6.70, 125.35 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: HA THR 74 + HD1 TRP 48 OK 98 98 100 100 3.4-3.7 9914=98, 8498/8478=68...(14) HA TRP 48 + HD1 TRP 48 OK 87 87 100 100 2.8-3.0 4.6=89, 9319/8506=51...(9) HA ILE 67 - HD1 TRP 48 far 0 100 0 - 8.1-8.3 HA VAL 76 - HD1 TRP 48 far 0 63 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 9296 from cnoeabs.peaks (3.44, 7.27, 120.40 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.98: HA GLN 49 + HE3 TRP 48 OK 98 98 100 100 2.9-3.4 8316=98, 3.0/9352=72...(8) HA LEU 51 - HE3 TRP 48 far 0 84 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 9297 from cnoeabs.peaks (3.89, 7.27, 120.40 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.45: HA ILE 61 + HE3 TRP 60 OK 45 51 100 89 3.8-4.0 11085/2.5=62...(6) Violated in 0 structures by 0.00 A. Peak 9298 from cnoeabs.peaks (6.72, 3.58, 62.67 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.96: HD1 TRP 48 + HA TRP 48 OK 96 96 100 99 2.8-3.0 4.6=74, 8746/9318=47...(9) HE21 GLN 49 - HA TRP 48 far 0 75 0 - 7.4-8.0 HD22 ASN 78 - HA TRP 48 far 0 81 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 9299 from cnoeabs.peaks (7.29, 3.58, 62.67 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.98: HE3 TRP 48 + HA TRP 48 OK 98 98 100 100 4.5-4.8 4.7=100 HZ2 TRP 48 - HA TRP 48 far 0 68 0 - 6.6-6.7 HH2 TRP 42 - HA TRP 48 far 0 99 0 - 9.1-9.6 Violated in 3 structures by 0.00 A. Peak 9300 from cnoeabs.peaks (7.57, 3.58, 62.67 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: H GLN 49 + HA TRP 48 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 75 - HA TRP 48 far 0 59 0 - 8.3-8.5 HD21 ASN 78 - HA TRP 48 far 0 99 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 9301 from cnoeabs.peaks (7.68, 3.58, 62.67 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.92: H LEU 51 + HA TRP 48 OK 92 92 100 100 3.6-3.8 9404=92, 6631/9424=60...(10) H GLU 54 - HA TRP 48 far 0 61 0 - 7.7-8.3 H VAL 69 - HA TRP 48 far 0 99 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 9302 from cnoeabs.peaks (8.43, 3.58, 62.67 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.99: H TRP 48 + HA TRP 48 OK 99 99 100 100 2.7-2.7 3.0=100 H LEU 55 - HA TRP 48 far 0 94 0 - 8.7-9.0 H ASN 78 - HA TRP 48 far 0 81 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 9304 from cnoeabs.peaks (8.40, 6.70, 125.35 ppm; 5.69 A): 2 out of 3 assignments used, quality = 1.00: H TRP 48 + HD1 TRP 48 OK 99 99 100 100 4.5-4.8 5.6=100 H ALA 73 + HD1 TRP 48 OK 88 88 100 100 4.3-4.5 2.9/8478=99, 9894=88...(10) H ASP 53 - HD1 TRP 48 far 0 93 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9305 from cnoeabs.peaks (8.49, 6.70, 125.35 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.94: H THR 74 + HD1 TRP 48 OK 94 94 100 100 3.0-3.3 9307/2.6=97, 9913=92...(9) H ASN 78 - HD1 TRP 48 far 0 59 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 9314 from cnoeabs.peaks (1.51, 3.58, 62.67 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 73 + HA TRP 48 OK 96 99 100 98 3.4-3.6 8495/9405=55...(8) HB3 LEU 51 + HA TRP 48 OK 74 75 100 99 2.6-3.8 3.1/9320=56, 9403=43...(11) HG LEU 12 - HA TRP 48 far 0 98 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 9315 from cnoeabs.peaks (1.42, 3.58, 62.67 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.99: QB ALA 47 + HA TRP 48 OK 99 100 100 99 3.5-3.6 8303/9318=71, 5.0=63...(9) HB3 LYS 52 - HA TRP 48 far 0 81 0 - 4.9-6.8 HG LEU 70 - HA TRP 48 far 0 100 0 - 5.9-6.4 HB ILE 77 - HA TRP 48 far 0 61 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 9316 from cnoeabs.peaks (1.11, 3.58, 62.67 ppm; 4.36 A): 2 out of 2 assignments used, quality = 1.00: HG LEU 51 + HA TRP 48 OK 99 100 100 99 4.1-4.9 2.1/9320=80, 3.0/9403=55...(10) HB2 LEU 51 + HA TRP 48 OK 99 99 100 100 2.4-4.1 1.8/9403=67, 3.1/9320=67...(10) Violated in 0 structures by 0.00 A. Peak 9317 from cnoeabs.peaks (0.86, 3.58, 62.67 ppm; 5.29 A increased from 4.98 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 51 + HA TRP 48 OK 100 100 100 100 4.9-5.3 2.1/9320=97, 3.1/9403=75...(10) QD1 LEU 12 + HA TRP 48 OK 80 99 100 81 4.9-5.2 188/8058=44...(5) QG2 VAL 25 + HA TRP 48 OK 26 99 40 65 5.7-6.0 8468/8463=29...(4) QG1 VAL 69 - HA TRP 48 far 0 65 0 - 8.5-8.7 QG2 VAL 102 - HA TRP 48 far 0 95 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9318 from cnoeabs.peaks (0.76, 3.58, 62.67 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 23 + HA TRP 48 OK 100 100 100 100 1.9-2.3 8058=95, 8144/9405=47...(17) HG2 LYS 52 - HA TRP 48 far 0 65 0 - 4.4-6.2 QG2 VAL 69 - HA TRP 48 far 0 90 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 9319 from cnoeabs.peaks (0.59, 3.58, 62.67 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 77 + HA TRP 48 OK 100 100 100 100 3.4-3.6 8546/9318=70...(10) QD2 LEU 12 - HA TRP 48 far 0 59 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 9320 from cnoeabs.peaks (0.47, 3.58, 62.67 ppm; 4.01 A): 1 out of 5 assignments used, quality = 0.98: QD2 LEU 51 + HA TRP 48 OK 98 99 100 100 2.8-3.3 9405=94, 8144/9318=72...(17) HG12 ILE 77 - HA TRP 48 far 0 70 0 - 6.3-6.6 HB2 LYS 52 - HA TRP 48 far 0 100 0 - 6.6-7.6 QG2 VAL 14 - HA TRP 48 far 0 65 0 - 6.9-7.4 QD1 LEU 55 - HA TRP 48 far 0 68 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 9321 from cnoeabs.peaks (0.58, 2.78, 29.31 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 77 + HB2 TRP 48 OK 100 100 100 100 2.5-3.9 8509=100, 9322/1.8=69...(9) HB2 PRO 43 - HB2 TRP 48 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9322 from cnoeabs.peaks (0.59, 3.39, 29.31 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 77 + HB3 TRP 48 OK 100 100 100 100 2.4-4.2 8509/1.8=87, 9319/3.0=67...(9) QD2 LEU 12 - HB3 TRP 48 far 0 59 0 - 7.1-9.0 HB2 PRO 43 - HB3 TRP 48 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9323 from cnoeabs.peaks (1.52, 6.70, 125.35 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 73 + HD1 TRP 48 OK 100 100 100 100 1.7-1.9 8478=99, 9345/2.6=61...(15) HB3 LEU 51 - HD1 TRP 48 far 0 61 0 - 4.7-6.0 HG LEU 12 - HD1 TRP 48 far 0 100 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 9324 from cnoeabs.peaks (0.58, 6.70, 125.35 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 77 + HD1 TRP 48 OK 100 100 100 100 3.3-3.6 8506=100, 8497/9914=65...(9) Violated in 0 structures by 0.00 A. Peak 9325 from cnoeabs.peaks (0.76, 6.70, 125.35 ppm; 5.62 A): 3 out of 3 assignments used, quality = 1.00: QD1 ILE 23 + HD1 TRP 48 OK 100 100 100 100 3.1-3.5 8746=100, 8546/8506=93...(11) QG2 VAL 69 + HD1 TRP 48 OK 93 94 100 99 5.9-6.1 8449/8478=80...(5) HG2 LYS 52 + HD1 TRP 48 OK 25 73 55 63 5.3-7.8 9413/9842=50, ~9347=13 Violated in 0 structures by 0.00 A. Peak 9328 from cnoeabs.peaks (-0.13, 3.58, 62.67 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HA TRP 48 OK 100 100 100 100 3.2-3.6 8463=98, 9410/9405=80...(17) Violated in 0 structures by 0.00 A. Peak 9329 from cnoeabs.peaks (-0.13, 6.70, 125.35 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HD1 TRP 48 OK 100 100 100 100 3.0-3.3 9350/2.6=100, 9842=99...(20) Violated in 0 structures by 0.00 A. Peak 9330 from cnoeabs.peaks (0.42, 7.32, 114.28 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + HZ2 TRP 48 OK 100 100 100 100 3.1-3.6 10480=100, 2.1/9840=74...(21) QD1 LEU 55 - HZ2 TRP 48 far 0 99 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 9331 from cnoeabs.peaks (0.40, 7.08, 124.04 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.91: QD1 LEU 70 + HH2 TRP 48 OK 91 91 100 100 3.6-4.4 2.1/9841=97...(17) QD1 LEU 55 - HH2 TRP 48 far 0 77 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 9332 from cnoeabs.peaks (1.60, 7.32, 114.28 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 70 + HZ2 TRP 48 OK 100 100 100 100 2.3-2.6 9834=85, 9344/2.8=72...(21) HG13 ILE 67 - HZ2 TRP 48 far 0 100 0 - 7.7-8.3 HB2 ARG 66 - HZ2 TRP 48 far 0 97 0 - 7.8-8.6 HB2 LEU 55 - HZ2 TRP 48 far 0 100 0 - 9.3-9.7 HG13 ILE 77 - HZ2 TRP 48 far 0 77 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 9333 from cnoeabs.peaks (1.17, 7.08, 124.04 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.99: HD3 LYS 52 + HH2 TRP 48 OK 99 99 100 100 3.3-4.5 9434=99, 1.8/9429=91...(21) HG3 ARG 66 - HH2 TRP 48 far 0 69 0 - 8.0-11.1 Violated in 0 structures by 0.00 A. Peak 9334 from cnoeabs.peaks (2.81, 7.08, 124.04 ppm; 5.57 A): 1 out of 3 assignments used, quality = 1.00: HE3 LYS 52 + HH2 TRP 48 OK 100 100 100 100 2.7-5.2 1.8/9439=100...(22) HB2 TRP 48 - HH2 TRP 48 far 0 89 0 - 6.2-7.2 HD2 ARG 66 - HH2 TRP 48 far 0 98 0 - 7.3-11.3 Violated in 0 structures by 0.00 A. Peak 9335 from cnoeabs.peaks (2.93, 7.08, 124.04 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.97: HE2 LYS 52 + HH2 TRP 48 OK 97 97 100 100 2.2-3.6 9439=98, 9440/2.4=87...(23) HD3 ARG 66 - HH2 TRP 48 far 0 82 0 - 7.3-9.8 HB2 ASN 71 - HH2 TRP 48 far 0 97 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 9336 from cnoeabs.peaks (1.16, 7.32, 114.28 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: HD3 LYS 52 + HZ2 TRP 48 OK 100 100 100 100 4.1-5.6 9434/2.5=99, ~9429=85...(21) HG3 ARG 66 - HZ2 TRP 48 far 0 88 0 - 7.4-10.1 HB2 LEU 12 - HZ2 TRP 48 far 0 84 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 9337 from cnoeabs.peaks (1.16, 6.94, 121.94 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: HD3 LYS 52 + HZ3 TRP 48 OK 100 100 100 100 2.7-3.8 1.8/9430=100...(26) HG3 ARG 66 - HZ3 TRP 48 far 0 77 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 9338 from cnoeabs.peaks (-0.14, 7.32, 114.28 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 70 + HZ2 TRP 48 OK 99 99 100 100 3.3-3.5 9840=98, 2.1/10480=90...(24) Violated in 0 structures by 0.00 A. Peak 9354 from cnoeabs.peaks (6.95, 3.46, 57.68 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.99: HZ3 TRP 48 + HA GLN 49 OK 99 100 100 100 4.0-4.6 2.5/8316=85...(10) H ALA 57 - HA LEU 51 far 0 45 0 - 7.7-8.0 H ALA 57 - HA GLN 49 far 0 73 0 - 9.6-10.1 HZ3 TRP 48 - HA LEU 51 far 0 71 0 - 9.6-10.2 Violated in 1 structures by 0.00 A. Peak 9355 from cnoeabs.peaks (7.57, 3.46, 57.68 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 49 + HA GLN 49 OK 100 100 100 100 2.8-2.8 3.0=100 H GLN 49 - HA LEU 51 far 0 72 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 9356 from cnoeabs.peaks (7.57, 2.06, 28.17 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: H GLN 49 + HB2 GLN 49 OK 100 100 100 100 2.2-2.4 3.9=97, 9367/1.8=78...(9) Violated in 0 structures by 0.00 A. Peak 9357 from cnoeabs.peaks (7.27, 2.06, 28.17 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: HE3 TRP 48 + HB2 GLN 49 OK 100 100 100 100 4.1-4.8 8316/3.0=89, 9359/1.8=89...(5) HH2 TRP 42 - HB2 GLN 49 far 0 99 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 9358 from cnoeabs.peaks (7.57, 2.25, 28.17 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: H GLN 49 + HB3 GLN 49 OK 100 100 100 100 2.6-3.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 9359 from cnoeabs.peaks (7.27, 2.25, 28.17 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.99: HE3 TRP 48 + HB3 GLN 49 OK 99 100 100 99 3.3-3.7 8316/3.0=82, 9357/1.8=70...(6) HH2 TRP 42 - HB3 GLN 49 far 0 99 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 9360 from cnoeabs.peaks (7.58, 2.30, 33.25 ppm; 4.85 A increased from 4.31 A): 1 out of 1 assignment used, quality = 0.99: H GLN 49 + HG2 GLN 49 OK 99 99 100 100 4.5-4.6 4.9=98, 9361/1.8=88...(12) Violated in 0 structures by 0.00 A. Peak 9361 from cnoeabs.peaks (7.58, 2.45, 33.25 ppm; 4.45 A increased from 4.19 A): 1 out of 1 assignment used, quality = 0.99: H GLN 49 + HG3 GLN 49 OK 99 99 100 100 4.1-4.4 9366=83, 9367/2.9=75...(10) Violated in 0 structures by 0.00 A. Peak 9369 from cnoeabs.peaks (3.17, 3.46, 57.68 ppm; 5.09 A): 3 out of 7 assignments used, quality = 1.00: HB3 ASP 46 + HA GLN 49 OK 100 100 100 100 4.7-4.9 9373/3.0=71, 9371/3.0=68...(9) HA LYS 52 + HA GLN 49 OK 68 97 70 100 5.2-5.9 3.0/1356=85, 3.0/1504=70...(10) HA LYS 52 + HA LEU 51 OK 66 66 100 100 4.8-4.9 ~6631=51, ~6637=51...(14) HB3 ASP 46 - HA LEU 51 far 0 72 0 - 8.0-9.0 HB2 TRP 42 - HA GLN 49 far 0 100 0 - 8.9-9.6 HB3 TRP 42 - HA GLN 49 far 0 100 0 - 9.7-10.2 HB3 TRP 42 - HA LEU 51 far 0 72 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 9370 from cnoeabs.peaks (2.57, 2.06, 28.17 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASP 46 + HB2 GLN 49 OK 97 98 100 100 2.1-3.4 1.8/9371=79, 9372/1.8=66...(10) HB3 ASP 53 - HB2 GLN 49 far 0 99 0 - 5.6-7.3 Violated in 0 structures by 0.00 A. Peak 9371 from cnoeabs.peaks (3.15, 2.06, 28.17 ppm; 4.69 A): 1 out of 4 assignments used, quality = 0.96: HB3 ASP 46 + HB2 GLN 49 OK 96 96 100 100 1.8-2.0 1.8/9370=79, 9373/1.8=68...(10) HB2 TRP 42 - HB2 GLN 49 far 0 95 0 - 7.0-7.6 HA LYS 52 - HB2 GLN 49 far 0 100 0 - 7.9-8.5 HB3 TRP 42 - HB2 GLN 49 far 0 95 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 9372 from cnoeabs.peaks (2.57, 2.25, 28.17 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.98: HB2 ASP 46 + HB3 GLN 49 OK 98 98 100 100 3.6-4.8 9370/1.8=91, 1.8/9373=87...(10) HB3 ASP 53 - HB3 GLN 49 lone 0 99 35 1 5.5-7.6 Violated in 0 structures by 0.00 A. Peak 9373 from cnoeabs.peaks (3.17, 2.25, 28.17 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: HB3 ASP 46 + HB3 GLN 49 OK 100 100 100 100 2.8-3.6 9371/1.8=77, 1.8/9372=73...(9) HA LYS 52 - HB3 GLN 49 far 0 97 0 - 7.6-8.2 HB2 TRP 42 - HB3 GLN 49 far 0 100 0 - 8.2-9.1 HB3 TRP 42 - HB3 GLN 49 far 0 100 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 9374 from cnoeabs.peaks (3.15, 2.30, 33.25 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.96: HB3 ASP 46 + HG2 GLN 49 OK 96 96 100 100 3.0-3.7 9371/2.9=74...(11) HA LYS 52 - HG2 GLN 49 far 0 100 0 - 8.2-9.2 HB2 TRP 42 - HG2 GLN 49 far 0 95 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9375 from cnoeabs.peaks (3.19, 2.45, 33.25 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.82: HB3 ASP 46 + HG3 GLN 49 OK 82 82 100 99 2.6-4.0 ~9370=57, ~9372=51...(11) HB2 TRP 42 - HG3 GLN 49 far 0 85 0 - 8.6-9.3 HB3 TRP 42 - HG3 GLN 49 far 0 85 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9385 from cnoeabs.peaks (7.08, 1.63, 28.67 ppm; 4.57 A): 2 out of 7 assignments used, quality = 0.98: QE PHE 40 + HB2 GLN 50 OK 92 93 100 99 2.6-2.9 2.2/10752=66, ~10754=40...(12) HZ PHE 40 + HB2 GLN 50 OK 81 100 100 81 3.1-4.1 3.8/10752=50...(6) HD2 HIS 59 - HD2 LYS 58 far 0 55 0 - 6.5-10.3 HH2 TRP 48 - HG13 ILE 67 far 0 80 0 - 8.3-9.4 QE PHE 40 - HD2 LYS 58 far 0 88 0 - 8.4-9.6 HZ PHE 40 - HD2 LYS 58 far 0 97 0 - 8.5-10.2 HD21 ASN 68 - HG13 ILE 67 far 0 56 0 - 9.2-9.3 Violated in 0 structures by 0.00 A. Peak 9386 from cnoeabs.peaks (7.09, 1.03, 28.67 ppm; 5.13 A): 3 out of 3 assignments used, quality = 1.00: HZ PHE 40 + HB3 GLN 50 OK 93 100 100 93 4.5-5.2 3.8/10754=49...(7) QE PHE 40 + HB3 GLN 50 OK 89 90 100 100 3.8-4.1 2.2/10754=63, ~10752=62...(13) QD PHE 40 + HB3 GLN 50 OK 61 61 100 100 3.0-3.4 10752/1.8=57...(15) Violated in 0 structures by 0.00 A. Peak 9387 from cnoeabs.peaks (7.11, 2.39, 34.36 ppm; 5.36 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 40 + HG2 GLN 50 OK 99 99 100 100 3.7-4.2 9388/1.8=89, 9389/3.5=79...(14) HZ PHE 40 - HG2 GLN 50 far 9 85 10 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 9388 from cnoeabs.peaks (7.11, 2.04, 34.36 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 40 + HG3 GLN 50 OK 98 99 100 100 4.6-5.0 9387/1.8=72, 9389/3.5=72...(13) HZ PHE 40 - HG3 GLN 50 far 0 85 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 9391 from cnoeabs.peaks (1.46, 2.39, 34.36 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 45 + HG2 GLN 50 OK 99 100 100 99 2.8-3.2 9392/1.8=70, 9394/3.5=69...(7) QB ALA 47 + HG2 GLN 50 OK 31 70 45 99 4.8-5.2 2.1/10414=70...(9) HB3 LEU 51 - HG2 GLN 50 far 0 88 0 - 6.6-7.2 QB ALA 57 - HG2 GLN 50 far 0 92 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 9392 from cnoeabs.peaks (1.46, 2.04, 34.36 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.98: QB ALA 45 + HG3 GLN 50 OK 98 99 100 100 4.0-4.5 9271=97, 8296/3.5=76...(9) QB ALA 47 - HG3 GLN 50 far 0 77 0 - 5.9-6.4 HB3 LEU 51 - HG3 GLN 50 far 0 82 0 - 6.9-7.3 QB ALA 57 - HG3 GLN 50 far 0 96 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9396 from cnoeabs.peaks (0.09, 1.62, 28.83 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.99: QD1 ILE 61 + HD2 LYS 58 OK 99 99 100 100 1.8-2.8 10768/1.8=77...(25) QB ALA 22 - HB2 GLN 50 far 0 58 0 - 7.9-8.2 QD1 ILE 61 - HG13 ILE 67 far 0 81 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 9398 from cnoeabs.peaks (0.76, 1.10, 40.21 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 23 + HB2 LEU 51 OK 100 100 100 100 2.6-3.2 8144/3.1=85, 9399/1.8=71...(13) HG2 LYS 52 - HB2 LEU 51 far 4 73 5 - 3.9-6.5 QG2 VAL 69 - HB2 LEU 51 far 0 94 0 - 5.4-5.7 QD2 LEU 36 - HB2 LEU 51 far 0 79 0 - 7.2-8.4 HB3 LEU 55 - HB2 LEU 51 far 0 99 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 9399 from cnoeabs.peaks (0.75, 1.48, 40.21 ppm; 4.36 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 23 + HB3 LEU 51 OK 100 100 100 100 2.5-3.2 8144/1477=93...(14) QG2 VAL 69 - HB3 LEU 51 far 0 84 0 - 5.2-5.8 QD2 LEU 36 - HB3 LEU 51 far 0 63 0 - 7.5-8.3 HB3 LEU 55 - HB3 LEU 51 far 0 96 0 - 8.1-8.8 QD1 ILE 11 - HB3 LEU 51 far 0 98 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 9400 from cnoeabs.peaks (0.76, 1.11, 26.59 ppm; 4.45 A): 3 out of 6 assignments used, quality = 1.00: QD1 ILE 23 + HG LEU 51 OK 100 100 100 100 4.1-4.7 8144/2.1=100...(13) QG2 VAL 69 + HG LEU 51 OK 89 90 100 100 3.4-3.8 11169/2.1=88, 10474=87...(9) HG2 LYS 52 + HG LEU 51 OK 34 65 75 69 3.1-5.2 9413/9409=32...(5) HB3 LEU 55 - HG LEU 51 far 0 98 0 - 6.0-6.7 QD2 LEU 36 - HG LEU 51 far 0 71 0 - 6.4-6.8 QD1 ILE 11 - HG LEU 51 far 0 99 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 9401 from cnoeabs.peaks (0.78, 0.48, 25.53 ppm; 2.75 A increased from 2.59 A): 2 out of 8 assignments used, quality = 1.00: QG2 VAL 69 + QD2 LEU 51 OK 97 100 100 97 2.3-2.9 11169=82, 10474/2.1=32...(10) QD1 ILE 23 + QD2 LEU 51 OK 89 90 100 99 2.1-2.7 8144=90, 2.1/8932=37...(21) HG2 LYS 52 - QD2 LEU 51 far 0 95 0 - 3.9-6.1 QG2 ILE 23 - QD2 LEU 51 far 0 82 0 - 4.2-4.7 QD2 LEU 36 - QD2 LEU 51 far 0 97 0 - 5.7-6.2 QD1 ILE 67 - QD2 LEU 51 far 0 85 0 - 6.2-6.7 HB3 LEU 55 - QD2 LEU 51 far 0 100 0 - 6.4-7.0 QD1 ILE 11 - QD2 LEU 51 far 0 99 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 9402 from cnoeabs.peaks (0.78, 0.86, 23.70 ppm; 2.40 A): 3 out of 27 assignments used, quality = 0.94: QG2 VAL 69 + QD1 LEU 51 OK 76 100 100 76 2.7-3.0 11169/2.1=41, 2186=24...(10) QD1 ILE 23 + QD1 LEU 12 OK 49 80 80 77 2.8-3.0 188=31, 650/10845=12...(16) QG2 VAL 69 + QG2 VAL 25 OK 49 83 100 59 1.9-2.2 2.1/11167=13...(13) QG2 ILE 23 - QD1 LEU 12 far 0 72 0 - 3.0-3.4 QG2 VAL 69 - QD1 LEU 12 far 0 94 0 - 3.7-4.1 QD1 ILE 23 - QD1 LEU 51 far 0 90 0 - 3.8-4.3 QD1 ILE 23 - QG2 VAL 25 far 0 68 0 - 4.0-4.6 QD2 LEU 36 - QD1 LEU 51 far 0 97 0 - 4.0-4.4 QD2 LEU 36 - QG2 VAL 25 far 0 77 0 - 4.2-4.5 HG2 LYS 52 - QD1 LEU 51 far 0 95 0 - 4.5-5.7 HB3 LEU 55 - QD1 LEU 51 far 0 100 0 - 4.5-5.0 QD1 ILE 11 - QG2 VAL 25 far 0 80 0 - 5.1-6.2 QG2 ILE 23 - QG2 VAL 25 far 0 61 0 - 5.4-5.9 HB3 LEU 55 - QG2 VAL 25 far 0 81 0 - 5.5-5.8 QG2 ILE 23 - QD1 LEU 51 far 0 82 0 - 5.8-6.2 HG2 LYS 52 - QG2 VAL 25 far 0 74 0 - 6.2-7.8 QD1 ILE 11 - QD1 LEU 12 far 0 91 0 - 6.5-7.2 QD1 ILE 11 - QD1 LEU 51 far 0 99 0 - 6.7-8.2 QD1 ILE 67 - QD1 LEU 51 far 0 85 0 - 6.7-6.8 HG2 LYS 52 - QD1 LEU 12 far 0 86 0 - 6.7-8.9 QD2 LEU 36 - QD1 LEU 12 far 0 88 0 - 6.8-7.0 QD1 ILE 67 - QG2 VAL 25 far 0 64 0 - 6.8-7.1 QD1 ILE 67 - QD1 LEU 12 far 0 75 0 - 7.8-8.1 HB3 LEU 55 - QD1 LEU 12 far 0 93 0 - 8.3-8.9 QG2 ILE 28 - QG2 VAL 25 far 0 82 0 - 8.6-8.8 QD2 LEU 109 - QG2 VAL 25 far 0 68 0 - 9.3-15.2 QD2 LEU 109 - QD1 LEU 12 far 0 80 0 - 9.4-15.6 Violated in 0 structures by 0.00 A. Peak 9403 from cnoeabs.peaks (3.59, 1.48, 40.21 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.99: HA TRP 48 + HB3 LEU 51 OK 99 99 100 100 2.6-3.8 9320/1477=78...(11) HA ILE 67 - HB3 LEU 51 far 0 82 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 9405 from cnoeabs.peaks (3.58, 0.48, 25.53 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: HA TRP 48 + QD2 LEU 51 OK 100 100 100 100 2.8-3.3 9320=99, 9318/8144=77...(17) HA THR 74 - QD2 LEU 51 far 0 63 0 - 6.1-6.5 HA ILE 67 - QD2 LEU 51 far 0 93 0 - 6.3-6.7 HA GLU 56 - QD2 LEU 51 far 0 63 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9407 from cnoeabs.peaks (-0.13, 1.10, 40.21 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HB2 LEU 51 OK 100 100 100 100 2.9-4.0 9410/3.1=87...(15) Violated in 0 structures by 0.00 A. Peak 9408 from cnoeabs.peaks (-0.15, 1.48, 40.21 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 70 + HB3 LEU 51 OK 97 97 100 100 2.5-4.0 9410/1477=87...(15) Violated in 0 structures by 0.00 A. Peak 9409 from cnoeabs.peaks (-0.13, 1.11, 26.59 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HG LEU 51 OK 100 100 100 100 1.8-1.9 9410/2.1=92...(17) Violated in 0 structures by 0.00 A. Peak 9410 from cnoeabs.peaks (-0.14, 0.48, 25.53 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + QD2 LEU 51 OK 100 100 100 100 1.8-2.0 11287/2.1=49...(22) Violated in 0 structures by 0.00 A. Peak 9411 from cnoeabs.peaks (-0.14, 1.40, 31.50 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HB3 LYS 52 OK 100 100 100 100 1.8-4.0 8464/3.0=95...(32) Violated in 0 structures by 0.00 A. Peak 9412 from cnoeabs.peaks (0.42, 3.15, 60.30 ppm; 3.18 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + HA LYS 52 OK 99 100 100 100 2.5-3.0 2.1/8464=60, 9502=49...(22) QD1 LEU 55 + HA LYS 52 OK 61 98 90 70 3.3-3.8 9502=32, 1687/1501=25...(9) Violated in 0 structures by 0.00 A. Peak 9413 from cnoeabs.peaks (-0.14, 0.79, 23.91 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HG2 LYS 52 OK 100 100 100 100 1.8-3.9 2.1/10432=83...(27) Violated in 0 structures by 0.00 A. Peak 9414 from cnoeabs.peaks (-0.13, 0.94, 23.91 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HG3 LYS 52 OK 100 100 100 100 2.0-4.3 2.1/10433=92...(23) Violated in 0 structures by 0.00 A. Peak 9415 from cnoeabs.peaks (-0.14, 1.24, 30.05 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HD2 LYS 52 OK 100 100 100 100 2.7-4.2 2.1/10434=88...(29) Violated in 0 structures by 0.00 A. Peak 9416 from cnoeabs.peaks (-0.14, 1.16, 30.05 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HD3 LYS 52 OK 100 100 100 100 2.6-4.0 2.1/8333=96, 9415/1.8=83...(29) Violated in 0 structures by 0.00 A. Peak 9417 from cnoeabs.peaks (-0.15, 2.94, 41.80 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 70 + HE2 LYS 52 OK 97 97 100 100 3.4-4.9 2.1/9442=91, 9418/1.8=74...(16) Violated in 0 structures by 0.00 A. Peak 9418 from cnoeabs.peaks (-0.14, 2.80, 41.80 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 70 + HE3 LYS 52 OK 100 100 100 100 3.1-5.0 9417/1.8=85, ~9442=74...(16) QD2 LEU 70 - HB2 PHE 10 far 0 91 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 9419 from cnoeabs.peaks (0.42, 2.80, 41.80 ppm; 4.10 A increased from 3.64 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 70 + HE3 LYS 52 OK 100 100 100 100 2.1-4.6 9442/1.8=70...(18) QD1 LEU 55 + HB2 PHE 10 OK 83 87 100 95 4.1-4.6 8451/8453=65...(15) QD1 LEU 55 - HE3 LYS 52 far 0 98 0 - 6.3-7.9 QD1 LEU 70 - HB2 PHE 10 far 0 92 0 - 7.6-7.9 QD2 LEU 15 - HE3 LYS 84 far 0 86 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 9420 from cnoeabs.peaks (3.47, 3.15, 60.30 ppm; 5.33 A): 3 out of 3 assignments used, quality = 1.00: HA LEU 51 + HA LYS 52 OK 100 100 100 100 4.8-4.9 ~6631=56, ~6637=56...(14) HA GLN 49 + HA LYS 52 OK 98 98 100 100 5.2-5.9 1356/3.0=88, 1504/3.0=72...(10) HA ARG 66 + HA LYS 52 OK 70 99 100 71 4.8-5.9 8421/9412=26...(7) Violated in 0 structures by 0.00 A. Peak 9421 from cnoeabs.peaks (3.46, 0.79, 23.91 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.99: HA GLN 49 + HG2 LYS 52 OK 99 100 100 99 2.1-4.4 1356/2.9=72, 1504/2.9=55...(9) HA LEU 51 - HG2 LYS 52 far 0 98 0 - 5.1-6.2 HA ARG 66 - HG2 LYS 52 far 0 100 0 - 6.1-8.7 Violated in 0 structures by 0.00 A. Peak 9422 from cnoeabs.peaks (3.48, 1.24, 30.05 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.92: HA GLN 49 + HD2 LYS 52 OK 92 92 100 100 1.8-3.4 10906=74, 1356/3.4=68...(13) HA LEU 51 - HD2 LYS 52 far 0 100 0 - 6.6-7.9 HA ARG 66 - HD2 LYS 52 far 0 94 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 9423 from cnoeabs.peaks (3.48, 1.16, 30.05 ppm; 5.62 A): 1 out of 3 assignments used, quality = 0.81: HA GLN 49 + HD3 LYS 52 OK 81 81 100 100 2.3-3.4 9422/1.8=94, 1356/3.4=72...(13) HA LEU 51 - HD3 LYS 52 far 0 97 0 - 6.9-7.7 HA ARG 66 - HD3 LYS 52 far 0 84 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 9425 from cnoeabs.peaks (4.50, 2.80, 41.80 ppm; 4.70 A increased from 3.96 A): 2 out of 6 assignments used, quality = 0.83: HA SER 9 + HB2 PHE 10 OK 64 66 100 98 4.6-4.6 3.6/6073=73, 8697/2.5=65...(6) HA GLN 19 + HE3 LYS 84 OK 53 99 100 53 3.2-5.1 10513/11007=50, 3.6/10975=6 HA GLN 89 - HE3 LYS 84 far 0 99 0 - 5.9-9.6 HA ASN 68 - HB2 PHE 10 far 0 89 0 - 7.8-8.1 HA LYS 88 - HE3 LYS 84 far 0 99 0 - 9.6-11.8 HA ASN 68 - HE3 LYS 52 far 0 99 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 9426 from cnoeabs.peaks (7.67, 3.15, 60.30 ppm; 5.23 A): 2 out of 3 assignments used, quality = 0.95: H LEU 51 + HA LYS 52 OK 81 82 100 98 5.1-5.3 6631/3.0=78, 6658/3.6=61...(7) H GLU 54 + HA LYS 52 OK 74 75 100 98 4.0-4.4 6680/3.6=69, 6654/3.0=62...(9) H VAL 69 - HA LYS 52 far 0 96 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 9427 from cnoeabs.peaks (7.83, 1.24, 30.05 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: HE22 GLN 49 + HD2 LYS 52 OK 100 100 100 100 2.1-3.9 8319=98, 1.7/8318=98...(13) H ALA 47 - HD2 LYS 52 far 0 77 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 9428 from cnoeabs.peaks (7.31, 1.24, 30.05 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.77: HE3 TRP 48 + HD2 LYS 52 OK 69 70 100 100 2.5-4.6 2.5/9430=86, ~9435=63...(14) HZ2 TRP 48 + HD2 LYS 52 OK 24 97 25 100 4.0-6.1 2.5/9429=86, ~9434=63...(20) HZ3 TRP 42 - HD2 LYS 52 far 0 77 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 9429 from cnoeabs.peaks (7.07, 1.24, 30.05 ppm; 4.07 A): 1 out of 3 assignments used, quality = 0.50: HH2 TRP 48 + HD2 LYS 52 OK 50 100 50 100 3.3-5.2 9434/1.8=75, 9439/3.0=67...(22) QE PHE 40 - HD2 LYS 52 far 0 100 0 - 8.0-9.3 HZ PHE 40 - HD2 LYS 52 far 0 95 0 - 8.9-10.7 Violated in 17 structures by 0.59 A. Peak 9430 from cnoeabs.peaks (6.94, 1.24, 30.05 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: HZ3 TRP 48 + HD2 LYS 52 OK 100 100 100 100 2.8-4.1 2.4/9429=67, 9435/1.8=64...(27) H ALA 57 - HD2 LYS 52 far 0 65 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 9431 from cnoeabs.peaks (6.76, 1.24, 30.05 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 49 + HD2 LYS 52 OK 99 99 100 100 2.0-3.9 8318=98, 1.7/8319=88...(13) Violated in 0 structures by 0.00 A. Peak 9432 from cnoeabs.peaks (7.82, 1.16, 30.05 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.99: HE22 GLN 49 + HD3 LYS 52 OK 99 99 100 100 2.4-4.1 8319/1.8=94, 9377=91...(13) H ALA 47 - HD3 LYS 52 far 0 68 0 - 8.1-9.7 H ARG 66 - HD3 LYS 52 far 0 99 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 9433 from cnoeabs.peaks (7.30, 1.16, 30.05 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.95: HZ2 TRP 48 + HD3 LYS 52 OK 80 94 85 100 4.1-5.6 2.5/9434=76, ~9429=53...(20) HE3 TRP 48 + HD3 LYS 52 OK 77 77 100 100 2.7-4.2 2.5/9435=76, ~9430=53...(15) HZ3 TRP 42 - HD3 LYS 52 far 0 70 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9434 from cnoeabs.peaks (7.08, 1.16, 30.05 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: HH2 TRP 48 + HD3 LYS 52 OK 100 100 100 100 3.3-4.5 9429/1.8=76, 9439/3.0=68...(21) QE PHE 40 - HD3 LYS 52 far 0 99 0 - 8.1-9.0 HZ PHE 40 - HD3 LYS 52 far 0 98 0 - 9.4-10.6 Violated in 3 structures by 0.05 A. Peak 9435 from cnoeabs.peaks (6.96, 1.16, 30.05 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.90: HZ3 TRP 48 + HD3 LYS 52 OK 90 90 100 100 2.7-3.8 2.4/9434=67, 9430/1.8=64...(26) H ALA 57 - HD3 LYS 52 far 0 95 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 9436 from cnoeabs.peaks (6.74, 1.16, 30.05 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 49 + HD3 LYS 52 OK 100 100 100 100 2.0-4.2 8318/1.8=94, 9376=87...(13) Violated in 0 structures by 0.00 A. Peak 9437 from cnoeabs.peaks (7.82, 2.94, 41.80 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.98: HE22 GLN 49 + HE2 LYS 52 OK 98 98 100 100 3.4-4.7 1.7/9441=78, 8319/3.0=77...(9) HD22 ASN 71 - HE2 LYS 52 far 0 77 0 - 9.8-11.5 H ARG 66 - HE2 LYS 52 far 0 98 0 - 10.0-11.3 Violated in 2 structures by 0.01 A. Peak 9438 from cnoeabs.peaks (7.31, 2.94, 41.80 ppm; 4.62 A increased from 4.35 A): 2 out of 2 assignments used, quality = 0.93: HZ2 TRP 48 + HE2 LYS 52 OK 78 97 80 100 3.7-5.4 2.5/9439=89, 4.3/9440=58...(17) HE3 TRP 48 + HE2 LYS 52 OK 69 70 100 100 3.8-4.7 2.5/9440=83, 4.3/9439=62...(15) Violated in 0 structures by 0.00 A. Peak 9439 from cnoeabs.peaks (7.08, 2.94, 41.80 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: HH2 TRP 48 + HE2 LYS 52 OK 100 100 100 100 2.2-3.6 2.4/9440=57, 9429/3.0=48...(23) QE PHE 40 - HE2 LYS 52 far 0 99 0 - 9.8-11.0 Violated in 1 structures by 0.00 A. Peak 9440 from cnoeabs.peaks (6.95, 2.94, 41.80 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.98: HZ3 TRP 48 + HE2 LYS 52 OK 98 99 100 100 2.3-3.1 2.4/9439=72, 9444/1.8=58...(21) H ALA 57 - HE2 LYS 52 far 0 81 0 - 9.2-11.2 HD2 HIS 7 - HE3 LYS 31 far 0 98 0 - 9.5-18.4 Violated in 0 structures by 0.00 A. Peak 9441 from cnoeabs.peaks (6.74, 2.94, 41.80 ppm; 4.71 A increased from 4.43 A): 1 out of 2 assignments used, quality = 0.99: HE21 GLN 49 + HE2 LYS 52 OK 99 99 100 100 3.2-4.6 10435/1.8=84...(10) HD1 TRP 48 - HE2 LYS 52 far 0 61 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 9442 from cnoeabs.peaks (0.42, 2.94, 41.80 ppm; 4.32 A increased from 4.07 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + HE2 LYS 52 OK 100 100 100 100 3.1-4.2 2.1/9417=56...(16) QD1 LEU 55 - HE2 LYS 52 far 0 100 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 9444 from cnoeabs.peaks (6.93, 2.80, 41.80 ppm; 4.14 A increased from 3.90 A): 1 out of 5 assignments used, quality = 0.99: HZ3 TRP 48 + HE3 LYS 52 OK 99 99 100 100 3.4-4.1 9440/1.8=67, 9430/3.0=59...(21) HE22 GLN 19 - HE3 LYS 84 far 0 98 0 - 5.1-10.4 HE21 GLN 72 - HB2 PHE 10 far 0 71 0 - 7.0-7.3 H LEU 17 - HE3 LYS 84 far 0 98 0 - 7.9-9.9 HD2 HIS 7 - HB2 PHE 10 far 0 72 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 9445 from cnoeabs.peaks (7.07, 2.80, 41.80 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.89: QD PHE 10 + HB2 PHE 10 OK 72 72 100 100 2.6-2.6 2.5=100 HH2 TRP 48 + HE3 LYS 52 OK 60 99 60 100 2.7-5.2 9439/1.8=73, 2.4/9444=53...(22) HD21 ASN 68 - HB2 PHE 10 far 9 87 10 - 4.2-4.6 HE22 GLN 72 - HB2 PHE 10 far 0 91 0 - 8.1-8.4 QE PHE 40 - HE3 LYS 52 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 9446 from cnoeabs.peaks (7.29, 2.80, 41.80 ppm; 4.18 A): 0 out of 11 assignments used, quality = 0.00: HZ2 TRP 48 - HE3 LYS 52 poor 17 84 20 - 3.1-6.8 HE22 GLN 81 - HE3 LYS 84 poor 11 57 20 - 3.3-8.9 HE3 TRP 48 - HE3 LYS 52 far 4 90 5 - 4.5-5.8 HE3 TRP 80 - HE3 LYS 84 far 0 98 0 - 5.0-7.1 H ASN 20 - HE3 LYS 84 far 0 93 0 - 5.7-6.6 HZ PHE 10 - HB2 PHE 10 far 0 72 0 - 5.8-5.8 HH2 TRP 60 - HB2 PHE 10 far 0 55 0 - 6.9-7.1 HE3 TRP 60 - HB2 PHE 10 far 0 91 0 - 8.7-9.0 HE22 GLN 86 - HE3 LYS 84 far 0 87 0 - 9.0-11.3 HH2 TRP 42 - HE3 LYS 84 far 0 92 0 - 9.4-12.4 QE PHE 79 - HE3 LYS 84 far 0 96 0 - 9.5-11.9 Violated in 5 structures by 0.03 A. Peak 9447 from cnoeabs.peaks (6.99, 4.10, 57.09 ppm; 5.16 A): 1 out of 4 assignments used, quality = 0.99: H ALA 57 + HA ASP 53 OK 99 99 100 100 3.8-4.0 6729=99, 6733/1599=83...(9) QE PHE 41 - HA GLU 110 far 7 47 15 - 3.9-17.6 HD22 ASN 108 - HA GLU 110 poor 7 34 20 - 4.2-10.9 H LYS 58 - HA ASP 53 far 0 90 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 9449 from cnoeabs.peaks (1.43, 4.10, 57.09 ppm; 4.96 A): 2 out of 5 assignments used, quality = 0.98: QB ALA 57 + HA ASP 53 OK 96 97 100 99 4.1-4.5 6740/6729=86...(6) HB3 LYS 52 + HA ASP 53 OK 59 73 85 95 4.0-5.6 ~6662=57, 1527/3.0=57...(6) HG LEU 70 - HA ASP 53 far 0 100 0 - 8.3-9.1 QB ALA 47 - HA GLU 110 far 0 58 0 - 9.4-19.9 HG3 LYS 58 - HA ASP 53 far 0 59 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9454 from cnoeabs.peaks (7.08, 4.04, 58.78 ppm; 5.12 A increased from 4.55 A): 2 out of 3 assignments used, quality = 1.00: HZ PHE 40 + HA GLU 54 OK 97 98 100 100 4.7-5.0 10765/1619=68...(13) QE PHE 40 + HA GLU 54 OK 93 99 95 100 5.3-5.7 10885/3.0=67...(11) QD PHE 10 - HA GLU 54 far 0 70 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 9460 from cnoeabs.peaks (3.48, 2.35, 35.99 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 51 + HG2 GLU 54 OK 98 98 100 100 3.5-4.0 1449/1642=73...(10) HB2 SER 38 + HG2 GLU 54 OK 26 100 40 64 5.3-5.6 9181/9467=29...(4) HA VAL 76 - HG2 GLU 75 far 0 40 0 - 6.1-6.4 HA GLN 49 - HG2 GLU 54 far 0 84 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 9461 from cnoeabs.peaks (3.47, 2.26, 35.99 ppm; 5.89 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 51 + HG3 GLU 54 OK 100 100 100 100 4.4-5.1 1449/1649=94...(9) HB2 SER 38 + HG3 GLU 54 OK 40 96 50 83 6.3-6.8 9181/9466=63...(4) HA GLN 49 - HG3 GLU 54 far 0 94 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 9465 from cnoeabs.peaks (2.86, 2.35, 35.99 ppm; 4.14 A): 0 out of 2 assignments used, quality = 0.00: HE2 LYS 58 - HG2 GLU 54 far 0 100 0 - 5.4-6.8 HB2 ASN 78 - HG2 GLU 75 far 0 71 0 - 6.5-7.4 Violated in 20 structures by 1.34 A. Peak 9466 from cnoeabs.peaks (4.60, 2.26, 35.99 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HB THR 37 + HG3 GLU 54 OK 100 100 100 100 3.5-4.0 2.1/8343=94, ~8264=73...(13) Violated in 0 structures by 0.00 A. Peak 9467 from cnoeabs.peaks (4.60, 2.35, 35.99 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: HB THR 37 + HG2 GLU 54 OK 100 100 100 100 1.9-2.6 2.1/8264=91, 9466/1.8=70...(13) HA ASN 71 + HG2 GLU 75 OK 68 79 100 86 4.5-4.7 9854/9930=42...(5) Violated in 0 structures by 0.00 A. Peak 9472 from cnoeabs.peaks (1.42, 1.96, 29.33 ppm; 5.12 A increased from 4.55 A): 2 out of 11 assignments used, quality = 0.98: QB ALA 57 + HB2 GLU 54 OK 94 94 100 100 4.7-4.9 1744/3.0=91...(8) HB2 LYS 88 + HG13 ILE 90 OK 72 72 100 99 4.0-5.7 9473/1.8=94...(6) HB2 LEU 36 - HB2 GLU 54 far 0 68 0 - 6.2-6.9 HB2 LYS 88 - HB2 GLU 94 far 0 54 0 - 6.4-8.1 HB3 LYS 52 - HB2 GLU 54 far 0 81 0 - 7.6-8.0 HG LEU 70 - HB2 GLU 54 far 0 100 0 - 8.0-8.4 HG LEU 70 - HB2 GLN 72 far 0 66 0 - 8.9-9.0 HB ILE 77 - HB2 GLN 72 far 0 34 0 - 8.9-9.0 HG13 ILE 11 - HB3 GLU 101 far 0 99 0 - 9.0-10.2 QB ALA 47 - HB2 GLU 54 far 0 100 0 - 9.3-9.7 QB ALA 47 - HB2 GLN 72 far 0 66 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 9473 from cnoeabs.peaks (1.43, 2.14, 29.33 ppm; 4.39 A): 1 out of 8 assignments used, quality = 0.53: HB2 LYS 88 + HG12 ILE 90 OK 53 63 100 83 3.2-4.3 10823/4.7=36, ~10076=29...(7) QB ALA 57 - HB3 GLU 54 far 0 97 0 - 5.1-5.2 HB3 LYS 52 - HB3 GLU 54 far 0 73 0 - 6.3-6.9 HB2 LYS 88 - HB3 GLU 94 far 0 59 0 - 6.5-7.6 HG LEU 70 - HB3 GLU 54 far 0 100 0 - 7.6-7.9 HB2 LEU 36 - HB3 GLU 54 far 0 75 0 - 7.7-8.4 QB ALA 47 - HB3 GLU 54 far 0 100 0 - 8.2-8.4 HG3 LYS 58 - HB3 GLU 54 far 0 59 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 9474 from cnoeabs.peaks (1.31, 2.14, 29.33 ppm; 4.59 A increased from 4.32 A): 2 out of 11 assignments used, quality = 0.98: QB ALA 93 + HB3 GLU 94 OK 96 96 100 100 4.3-4.5 8518/3.0=80, 7179/3.9=75...(7) HG LEU 83 + HG12 ILE 90 OK 45 57 95 83 4.6-5.2 ~10570=50, ~10569=46...(6) HG3 LYS 88 - HG12 ILE 90 far 0 98 0 - 5.2-6.6 HB3 LYS 98 - HB3 GLU 94 far 0 96 0 - 5.8-7.5 HG2 LYS 58 - HB3 GLU 54 far 0 75 0 - 7.0-7.4 HB3 LYS 98 - HG12 ILE 90 far 0 99 0 - 7.1-8.8 QB ALA 93 - HG12 ILE 90 far 0 99 0 - 7.2-7.9 HG LEU 83 - HB3 GLU 94 far 0 54 0 - 8.0-8.9 HG3 LYS 88 - HB3 GLU 94 far 0 94 0 - 8.3-9.4 HG2 ARG 66 - HB3 GLU 54 far 0 91 0 - 8.8-10.2 HB ILE 61 - HB3 GLU 54 far 0 59 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 9475 from cnoeabs.peaks (0.99, 2.14, 29.33 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 37 + HB3 GLU 54 OK 99 99 100 100 2.2-2.6 9189=98, 9192/1.8=85...(12) QG1 VAL 25 - HB3 GLU 54 far 0 99 0 - 5.4-5.7 QG1 VAL 14 - HG12 ILE 90 far 0 59 0 - 7.8-9.3 QG1 VAL 14 - HB3 GLU 94 far 0 55 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 9483 from cnoeabs.peaks (6.98, 1.96, 29.33 ppm; 4.38 A): 2 out of 6 assignments used, quality = 0.74: HE21 GLN 72 + HB2 GLN 72 OK 51 51 100 100 4.3-4.4 4.5=89, 1.7/7016=58...(13) HE21 GLN 72 + HB3 GLU 101 OK 47 82 100 58 2.9-3.1 1.7/8335=26, ~10972=15...(6) H ALA 57 - HB2 GLU 54 far 0 100 0 - 5.3-5.4 H LYS 58 - HB2 GLU 54 far 0 81 0 - 5.9-6.2 H ILE 61 - HB2 GLU 54 far 0 99 0 - 9.4-10.0 H ILE 61 - HB3 GLU 63 far 0 94 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 9484 from cnoeabs.peaks (7.28, 2.14, 29.33 ppm; 4.94 A): 3 out of 14 assignments used, quality = 0.96: QE PHE 79 + HG12 ILE 90 OK 84 87 100 97 3.2-4.8 10685/2.1=90, ~10835=25...(7) HZ PHE 79 + HG12 ILE 90 OK 56 65 90 96 2.9-6.1 ~10685=70, ~10509=61...(6) QE PHE 79 + HB3 GLU 94 OK 37 83 85 53 4.7-5.8 10685/3562=33...(4) HZ PHE 79 - HB3 GLU 94 lone 5 61 50 15 4.1-7.2 2.2/10506=11, 8898/3559=4 HE22 GLN 86 - HG12 ILE 90 far 0 96 0 - 6.5-8.0 QE PHE 104 - HB3 GLU 94 far 0 75 0 - 6.7-7.3 QD PHE 99 - HB3 GLU 94 far 0 89 0 - 7.0-8.8 QE PHE 104 - HG12 ILE 90 far 0 80 0 - 7.1-8.8 QD PHE 99 - HG12 ILE 90 far 0 93 0 - 7.5-9.6 H PHE 99 - HB3 GLU 94 far 0 75 0 - 7.5-8.9 QE PHE 10 - HB3 GLU 54 far 0 70 0 - 8.2-9.0 H PHE 99 - HG12 ILE 90 far 0 80 0 - 9.2-10.9 HE3 TRP 80 - HG12 ILE 90 far 0 93 0 - 9.9-10.8 HE22 GLN 86 - HB3 GLU 94 far 0 93 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 9486 from cnoeabs.peaks (8.35, 2.14, 29.33 ppm; 4.92 A increased from 4.63 A): 2 out of 3 assignments used, quality = 0.88: H GLN 89 + HG12 ILE 90 OK 76 86 100 89 4.1-4.9 4.4/9473=59, 4.6/3556=35...(7) H ASP 53 + HB3 GLU 54 OK 48 61 100 78 4.4-4.7 4.6/6686=72...(3) H GLN 89 - HB3 GLU 94 far 0 82 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 9487 from cnoeabs.peaks (8.15, 0.43, 25.67 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.70: H LEU 70 + QD1 LEU 70 OK 70 70 100 100 3.3-3.5 6951=89, 6949/2.1=73...(16) H LEU 70 - QD1 LEU 55 poor 19 90 25 87 4.2-4.4 6945/8451=45...(6) H PHE 10 - QD1 LEU 55 far 0 90 0 - 6.5-7.1 H PHE 10 - QD1 LEU 70 far 0 70 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 9488 from cnoeabs.peaks (7.82, 0.43, 25.67 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.99: H ARG 66 + QD1 LEU 55 OK 98 98 100 100 3.7-4.1 9702=61, 3.0/9495=46...(17) H ARG 66 + QD1 LEU 70 OK 68 81 85 99 4.7-5.2 9734/8429=59...(16) HE22 GLN 49 - QD1 LEU 70 far 0 80 0 - 6.0-6.5 HD22 ASN 71 - QD1 LEU 70 far 0 59 0 - 6.1-6.3 H THR 37 - QD1 LEU 55 far 0 100 0 - 6.1-6.4 HD22 ASN 71 - QD1 LEU 55 far 0 77 0 - 8.3-8.5 HE22 GLN 49 - QD1 LEU 55 far 0 98 0 - 8.7-9.4 H ALA 47 - QD1 LEU 70 far 0 46 0 - 9.7-10.1 H THR 37 - QD1 LEU 70 far 0 85 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 9489 from cnoeabs.peaks (7.66, 0.43, 25.67 ppm; 4.71 A increased from 4.44 A): 2 out of 6 assignments used, quality = 0.91: H VAL 69 + QD1 LEU 55 OK 83 84 100 99 4.5-4.6 6933/8451=76...(10) H VAL 69 + QD1 LEU 70 OK 46 65 75 94 5.1-5.4 6941/6951=68...(7) H GLU 54 - QD1 LEU 55 far 0 92 0 - 5.4-5.8 H LEU 51 - QD1 LEU 70 far 0 46 0 - 5.9-6.3 H GLU 54 - QD1 LEU 70 far 0 73 0 - 6.0-6.6 H LEU 51 - QD1 LEU 55 far 0 61 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 9493 from cnoeabs.peaks (7.27, 0.33, 21.38 ppm; 4.54 A): 3 out of 8 assignments used, quality = 0.97: QE PHE 10 + QD2 LEU 55 OK 93 95 100 98 3.3-3.6 8733/8248=48...(15) QD PHE 99 + QG2 VAL 76 OK 36 37 100 99 2.2-2.7 10168=58, ~9922=42...(22) H PHE 99 + QG2 VAL 76 OK 33 60 85 64 4.6-5.3 4.5/10168=38...(5) QE PHE 79 - QG2 VAL 76 far 0 30 0 - 5.4-6.3 HH2 TRP 60 - QD2 LEU 55 far 0 99 0 - 5.5-5.7 HZ PHE 79 - QG2 VAL 76 far 0 54 0 - 7.3-8.0 HE3 TRP 60 - QD2 LEU 55 far 0 71 0 - 7.4-7.8 HE3 TRP 80 - QG2 VAL 76 far 0 37 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 9494 from cnoeabs.peaks (7.00, 3.71, 57.04 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: H LYS 58 + HA LEU 55 OK 100 100 100 100 3.4-3.6 9561=98, 9577/3.6=54...(13) H ALA 57 + HA LEU 55 OK 82 82 100 100 3.9-4.0 6732=76, 6733/3.6=61...(16) QD PHE 10 - HA LEU 55 far 0 63 0 - 5.3-5.6 H ILE 61 - HA LEU 55 far 0 71 0 - 5.7-6.3 Violated in 0 structures by 0.00 A. Peak 9495 from cnoeabs.peaks (3.45, 0.43, 25.67 ppm; 3.56 A): 2 out of 6 assignments used, quality = 1.00: HA ARG 66 + QD1 LEU 55 OK 100 100 100 100 1.9-2.0 8454/8451=51, 8421=51...(30) HA ARG 66 + QD1 LEU 70 OK 79 85 100 94 3.4-3.9 8421=47, 3.8/9710=20...(16) HA LEU 51 - QD1 LEU 55 far 0 96 0 - 5.0-5.5 HA GLN 49 - QD1 LEU 70 far 0 85 0 - 5.1-5.7 HA LEU 51 - QD1 LEU 70 far 0 78 0 - 6.1-6.4 HA GLN 49 - QD1 LEU 55 far 0 100 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 9496 from cnoeabs.peaks (3.46, 0.33, 21.38 ppm; 4.40 A increased from 4.14 A): 2 out of 6 assignments used, quality = 1.00: HA ARG 66 + QD2 LEU 55 OK 100 100 100 100 4.2-4.4 9495/2.1=50, 8422=50...(24) HA LEU 51 + QD2 LEU 55 OK 95 99 100 96 4.4-4.8 1445/8071=84...(6) HA ALA 95 - QG2 VAL 76 far 0 56 0 - 5.4-6.1 HB3 TRP 80 - QG2 VAL 76 far 0 57 0 - 6.0-6.2 HB2 SER 38 - QD2 LEU 55 far 0 77 0 - 8.2-8.4 HA GLN 49 - QD2 LEU 55 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 9498 from cnoeabs.peaks (3.00, 0.33, 21.38 ppm; 5.21 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 58 + QD2 LEU 55 OK 99 99 100 100 2.9-3.9 1839=91, 1.8/9499=90...(13) HB2 PHE 99 + QG2 VAL 76 OK 47 47 100 99 2.8-3.4 2.7/10168=66, ~9921=48...(12) HB3 ASN 68 - QD2 LEU 55 far 0 99 0 - 8.2-8.6 HB2 TRP 60 - QD2 LEU 55 far 0 77 0 - 8.8-9.0 HB2 ASN 68 - QD2 LEU 55 far 0 99 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 9499 from cnoeabs.peaks (2.86, 0.33, 21.38 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: HE2 LYS 58 + QD2 LEU 55 OK 100 100 100 100 3.9-4.4 1.8/1839=86...(14) HB2 ASN 78 - QG2 VAL 76 far 0 55 0 - 7.2-7.3 HE3 LYS 88 - QG2 VAL 76 far 0 49 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 9502 from cnoeabs.peaks (3.15, 0.42, 25.38 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 52 + QD1 LEU 70 OK 100 100 100 100 2.5-3.0 8464/2.1=68, 9412=62...(24) HA LYS 52 + QD1 LEU 55 OK 65 85 100 77 3.3-3.8 9412=38, 1501/6706=30...(9) HB3 ASP 46 - QD1 LEU 70 far 0 97 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 9503 from cnoeabs.peaks (2.92, 0.42, 25.38 ppm; 4.54 A): 3 out of 6 assignments used, quality = 1.00: HD3 ARG 66 + QD1 LEU 70 OK 94 95 100 99 3.1-4.6 9718=53, 2.8/8470=41...(16) HE2 LYS 52 + QD1 LEU 70 OK 88 88 100 100 3.1-4.2 9442=88, 3.0/8333=66...(16) HD3 ARG 66 + QD1 LEU 55 OK 61 76 80 100 3.0-5.2 2.8/9710=44, 9718=41...(31) HB2 ASN 71 - QD1 LEU 70 far 0 88 0 - 6.0-7.2 HE2 LYS 52 - QD1 LEU 55 far 0 69 0 - 7.1-8.3 HB2 ASN 71 - QD1 LEU 55 far 0 69 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 9504 from cnoeabs.peaks (2.80, 0.42, 25.38 ppm; 4.24 A): 4 out of 8 assignments used, quality = 1.00: HE3 LYS 52 + QD1 LEU 70 OK 100 100 100 100 2.1-4.6 1.8/9442=75...(18) HD2 ARG 66 + QD1 LEU 70 OK 92 100 95 97 3.1-5.2 1.8/9718=40, 9715=38...(15) HD2 ARG 66 + QD1 LEU 55 OK 84 84 100 100 3.2-4.8 2.8/9710=40, 9715=38...(33) HB2 PHE 10 + QD1 LEU 55 OK 71 73 100 98 4.1-4.6 8453/8451=71, 9419=45...(14) HE3 LYS 52 - QD1 LEU 55 far 0 85 0 - 6.3-7.9 HB2 TRP 48 - QD1 LEU 70 far 0 96 0 - 6.6-7.0 HB2 PHE 10 - QD1 LEU 70 far 0 92 0 - 7.6-7.9 HB2 TRP 48 - QD1 LEU 55 far 0 77 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 9506 from cnoeabs.peaks (0.08, 3.71, 57.04 ppm; 5.80 A): 1 out of 1 assignment used, quality = 0.91: QD1 ILE 61 + HA LEU 55 OK 91 91 100 100 3.1-3.8 8351/1696=98, 8380=91...(24) Violated in 0 structures by 0.00 A. Peak 9508 from cnoeabs.peaks (1.14, 0.33, 21.38 ppm; 3.71 A): 2 out of 14 assignments used, quality = 0.99: QD1 LEU 36 + QD2 LEU 55 OK 97 97 100 100 3.3-3.4 8250=97, 2.1/8248=87...(15) HB VAL 14 + QG2 VAL 76 OK 58 58 100 99 3.5-3.8 10930/2.1=78...(12) HG LEU 51 - QD2 LEU 55 far 0 85 0 - 4.4-4.8 HD3 LYS 98 - QG2 VAL 76 far 0 51 0 - 4.7-6.9 HG3 ARG 66 - QD2 LEU 55 far 0 100 0 - 4.9-6.8 HB2 LEU 51 - QD2 LEU 55 far 0 73 0 - 5.2-6.3 HB2 LYS 98 - QG2 VAL 76 far 0 60 0 - 5.9-7.0 HG3 LYS 13 - QD2 LEU 55 far 0 98 0 - 7.8-9.6 HG2 LYS 13 - QD2 LEU 55 far 0 98 0 - 7.8-9.5 HD3 LYS 52 - QD2 LEU 55 far 0 90 0 - 8.0-8.8 HG2 LYS 13 - QG2 VAL 76 far 0 58 0 - 8.2-8.6 HG3 LYS 13 - QG2 VAL 76 far 0 58 0 - 8.4-9.5 HB2 LEU 51 - QG2 VAL 76 far 0 39 0 - 9.5-9.8 HG LEU 51 - QG2 VAL 76 far 0 47 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 9509 from cnoeabs.peaks (0.97, 0.33, 21.38 ppm; 2.98 A): 4 out of 9 assignments used, quality = 0.99: QG1 VAL 25 + QD2 LEU 55 OK 93 99 100 93 1.9-2.0 8947=42, 2.1/8150=33...(17) QG2 THR 37 + QD2 LEU 55 OK 75 77 100 97 2.0-2.2 8258=70, 8247/8248=25...(17) QG1 VAL 14 + QG2 VAL 76 OK 48 54 100 90 3.3-3.5 2.1/10854=33, ~10930=27...(15) QG1 VAL 76 + QG2 VAL 76 OK 46 46 100 100 1.9-2.1 2.1=100 QG2 THR 74 - QG2 VAL 76 far 0 62 0 - 5.9-6.0 HG3 LYS 52 - QD2 LEU 55 far 0 82 0 - 6.8-7.3 HB2 LEU 15 - QG2 VAL 76 far 0 60 0 - 8.6-8.8 HG13 ILE 28 - QD2 LEU 55 far 0 98 0 - 8.6-8.8 QG1 VAL 25 - QG2 VAL 76 far 0 61 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 9510 from cnoeabs.peaks (0.83, 0.33, 21.38 ppm; 2.85 A): 3 out of 22 assignments used, quality = 0.96: QD1 LEU 51 + QD2 LEU 55 OK 86 87 100 99 2.4-2.8 8071=96, 10289/2.1=33...(15) QG2 VAL 102 + QG2 VAL 76 OK 57 62 100 92 1.8-1.9 10211=55, 2.1/8505=27...(14) QG2 VAL 25 + QD2 LEU 55 OK 28 97 40 73 3.3-3.6 2.1/8947=32, 2.1/8150=29...(8) QD1 LEU 12 - QG2 VAL 76 far 0 58 0 - 4.3-4.7 QG2 ILE 23 - QG2 VAL 76 far 0 41 0 - 4.5-4.7 HD2 LYS 98 - QG2 VAL 76 far 0 37 0 - 4.8-6.5 QD1 LEU 12 - QD2 LEU 55 far 0 98 0 - 5.9-6.1 QG1 VAL 103 - QG2 VAL 76 far 0 32 0 - 6.0-7.1 HG2 LYS 52 - QD2 LEU 55 far 0 57 0 - 6.6-7.2 QD1 ILE 67 - QD2 LEU 55 far 0 73 0 - 6.9-7.3 QG2 VAL 25 - QG2 VAL 76 far 0 58 0 - 6.9-7.1 QG2 ILE 11 - QG2 VAL 76 far 0 54 0 - 7.1-7.3 QG2 ILE 11 - QD2 LEU 55 far 0 94 0 - 7.6-7.7 QG2 VAL 6 - QD2 LEU 55 far 0 100 0 - 8.1-10.0 QG1 VAL 6 - QD2 LEU 55 far 0 99 0 - 8.2-10.0 QD1 LEU 51 - QG2 VAL 76 far 0 48 0 - 8.4-8.7 QG2 ILE 23 - QD2 LEU 55 far 0 77 0 - 8.6-8.9 QG1 VAL 103 - QD2 LEU 55 far 0 61 0 - 8.6-10.1 QD1 LEU 17 - QG2 VAL 76 far 0 63 0 - 9.4-10.1 QG2 VAL 102 - QD2 LEU 55 far 0 100 0 - 9.6-9.9 HG LEU 15 - QG2 VAL 76 far 0 61 0 - 9.7-9.9 QD1 LEU 109 - QG2 VAL 76 far 0 61 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 9511 from cnoeabs.peaks (0.11, 0.43, 25.67 ppm; 4.76 A increased from 4.48 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 61 + QD1 LEU 55 OK 100 100 100 100 4.2-4.7 8351/2.1=69, 8380/3.9=66...(22) QD1 ILE 61 - QD1 LEU 70 far 0 84 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 9515 from cnoeabs.peaks (0.94, 2.38, 37.44 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.59: HG3 LYS 52 + HG2 GLU 56 OK 59 100 100 59 3.7-5.1 1.8/9516=23...(4) QG1 VAL 25 - HG2 GLU 56 far 0 68 0 - 7.9-8.5 QG2 ILE 67 - HG2 GLU 56 far 0 57 0 - 8.0-9.3 Violated in 2 structures by 0.02 A. Peak 9516 from cnoeabs.peaks (0.79, 2.38, 37.44 ppm; 5.80 A increased from 4.64 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 52 + HG2 GLU 56 OK 98 100 100 98 5.0-6.0 1.8/9515=96...(4) HB3 LEU 55 + HG2 GLU 56 OK 92 94 100 98 4.7-6.0 4.6/6725=86, 3.1/9517=40...(6) QD1 ILE 67 + HG2 GLU 56 OK 70 97 100 72 4.9-6.2 9717/9522=47...(3) QG2 VAL 69 - HG2 GLU 56 far 0 99 0 - 6.4-7.2 QD2 LEU 36 - HG2 GLU 56 far 0 100 0 - 7.5-8.3 QD1 ILE 23 - HG2 GLU 56 far 0 71 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 9517 from cnoeabs.peaks (0.43, 2.38, 37.44 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + HG2 GLU 56 OK 92 100 100 92 4.9-5.7 4.7/6725=71, 9520/1.8=40...(5) QD1 LEU 70 + HG2 GLU 56 OK 92 100 100 92 4.1-4.7 10433/9515=48...(8) Violated in 0 structures by 0.00 A. Peak 9520 from cnoeabs.peaks (0.43, 1.90, 37.44 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + HG3 GLU 56 OK 94 100 100 94 4.9-5.7 4.7/1733=73, 9517/1.8=44...(6) QD1 LEU 70 + HG3 GLU 56 OK 81 100 100 81 4.0-4.6 9517/1.8=43...(5) Violated in 0 structures by 0.00 A. Peak 9521 from cnoeabs.peaks (2.79, 2.38, 37.44 ppm; 4.75 A increased from 4.47 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 66 + HG2 GLU 56 OK 100 100 100 100 1.9-5.0 1.8/9522=92, 9723=70...(12) HE3 LYS 52 + HG2 GLU 56 OK 48 99 65 74 4.0-6.7 1588/9515=60...(4) Violated in 0 structures by 0.00 A. Peak 9522 from cnoeabs.peaks (2.91, 2.38, 37.44 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.99: HD3 ARG 66 + HG2 GLU 56 OK 99 100 100 99 2.2-4.2 9721=60, 9524/1.8=55...(12) HE2 LYS 52 - HG2 GLU 56 far 0 63 0 - 4.7-7.6 Violated in 2 structures by 0.01 A. Peak 9523 from cnoeabs.peaks (2.80, 1.90, 37.44 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: HD2 ARG 66 + HG3 GLU 56 OK 100 100 100 100 1.9-5.4 1.8/9524=82, 9723/1.8=76...(12) HE3 LYS 52 - HG3 GLU 56 poor 16 100 45 37 3.6-6.6 9521/1.8=27, 9419/9520=12 Violated in 2 structures by 0.04 A. Peak 9524 from cnoeabs.peaks (2.90, 1.90, 37.44 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.99: HD3 ARG 66 + HG3 GLU 56 OK 99 99 100 100 2.0-4.8 9522/1.8=91, 1.8/9523=67...(11) HE2 LYS 58 - HG3 GLU 56 far 0 71 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 9525 from cnoeabs.peaks (2.79, 3.54, 58.74 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.99: HD2 ARG 66 + HA GLU 56 OK 99 100 100 99 3.1-4.2 1.8/9526=73, 9726=59...(14) HE3 LYS 52 - HA GLU 56 far 0 98 0 - 7.0-9.0 Violated in 1 structures by 0.00 A. Peak 9526 from cnoeabs.peaks (2.89, 3.54, 58.74 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.97: HD3 ARG 66 + HA GLU 56 OK 97 98 100 99 3.2-4.5 1.8/9525=80...(14) HE2 LYS 58 - HA GLU 56 far 0 81 0 - 7.3-8.6 Violated in 4 structures by 0.01 A. Peak 9527 from cnoeabs.peaks (3.68, 3.54, 58.74 ppm; 4.85 A increased from 4.08 A): 1 out of 2 assignments used, quality = 0.86: HA LEU 55 + HA GLU 56 OK 86 87 100 99 4.8-4.8 6732/3.6=57, ~6715=48...(15) HA GLU 63 - HA GLU 56 far 0 99 0 - 6.3-7.1 Violated in 0 structures by 0.00 A. Peak 9528 from cnoeabs.peaks (4.10, 2.38, 37.44 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 53 + HG2 GLU 56 OK 100 100 100 100 3.2-4.9 9529/1.8=85...(8) HA LYS 58 - HG2 GLU 56 far 0 100 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 9529 from cnoeabs.peaks (4.10, 1.90, 37.44 ppm; 4.82 A increased from 4.53 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 53 + HG3 GLU 56 OK 100 100 100 100 3.3-4.7 1710/3.0=77...(9) HA LYS 58 - HG3 GLU 56 far 0 99 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 9532 from cnoeabs.peaks (7.65, 1.44, 18.21 ppm; 4.73 A increased from 4.45 A): 1 out of 1 assignment used, quality = 0.99: H GLU 54 + QB ALA 57 OK 99 99 100 100 4.5-4.6 3.0/1744=93...(9) Violated in 0 structures by 0.00 A. Peak 9533 from cnoeabs.peaks (8.46, 1.44, 18.21 ppm; 4.86 A increased from 4.32 A): 1 out of 1 assignment used, quality = 0.93: H LEU 55 + QB ALA 57 OK 93 93 100 100 4.5-4.6 3.6/1744=87...(12) Violated in 0 structures by 0.00 A. Peak 9534 from cnoeabs.peaks (8.56, 1.44, 18.21 ppm; 4.41 A increased from 3.71 A): 1 out of 1 assignment used, quality = 0.97: H GLU 56 + QB ALA 57 OK 97 97 100 100 4.2-4.3 9512=97, 6733/6740=90...(10) Violated in 0 structures by 0.00 A. Peak 9537 from cnoeabs.peaks (3.69, 1.44, 18.21 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.95: HA LEU 55 + QB ALA 57 OK 95 95 100 100 4.4-4.6 6732/6740=80...(12) HA GLN 50 - QB ALA 57 far 0 99 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 9543 from cnoeabs.peaks (1.27, 1.44, 18.21 ppm; 3.28 A): 1 out of 4 assignments used, quality = 0.92: HG2 LYS 58 + QB ALA 57 OK 92 100 100 92 2.7-3.2 6749/6745=53, 1787=37...(10) HB ILE 61 - QB ALA 57 far 0 100 0 - 6.1-7.0 HG2 ARG 66 - QB ALA 57 far 0 95 0 - 8.8-9.5 HD2 LYS 52 - QB ALA 57 far 0 77 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 9544 from cnoeabs.peaks (0.32, 1.44, 18.21 ppm; 5.47 A increased from 4.37 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 55 + QB ALA 57 OK 99 100 100 99 5.2-5.3 6707/9533=69...(9) HB2 LYS 58 + QB ALA 57 OK 84 84 100 100 4.9-5.3 3.0/9543=98, 3.7/6745=96...(7) QG2 ILE 61 - QB ALA 57 far 10 98 10 - 6.0-6.4 Violated in 0 structures by 0.00 A. Peak 9546 from cnoeabs.peaks (0.10, 4.11, 53.53 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 61 + HA LYS 58 OK 100 100 100 100 4.2-4.8 8377/3.0=84, 9545/3.0=70...(25) Violated in 1 structures by 0.01 A. Peak 9547 from cnoeabs.peaks (0.09, 0.35, 29.76 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.96: QD1 ILE 61 + HB2 LYS 58 OK 96 96 100 100 2.1-3.2 8377/1.8=92, 9622/3.0=63...(28) Violated in 0 structures by 0.00 A. Peak 9548 from cnoeabs.peaks (0.08, 1.55, 29.76 ppm; 4.15 A): 1 out of 3 assignments used, quality = 0.93: QD1 ILE 61 + HB3 LYS 58 OK 93 93 100 100 1.9-2.3 8377=86, 9396/1807=73...(29) QD1 ILE 61 - HB2 ARG 66 far 0 55 0 - 5.6-6.4 QD1 LEU 15 - HG13 ILE 77 far 0 34 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 9549 from cnoeabs.peaks (0.09, 1.28, 23.86 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.97: QD1 ILE 61 + HG2 LYS 58 OK 97 97 100 100 3.9-4.2 9622/1.8=80, 8377/3.0=76...(25) Violated in 0 structures by 0.00 A. Peak 9550 from cnoeabs.peaks (0.09, 1.47, 23.86 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 61 + HG3 LYS 58 OK 99 99 100 100 3.2-3.8 9622=99, 8377/3.0=81...(30) QB ALA 22 - HG2 PRO 43 far 0 57 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 9551 from cnoeabs.peaks (0.09, 1.36, 28.83 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.99: QD1 ILE 61 + HD3 LYS 58 OK 99 99 100 100 1.9-3.1 8375=86, 9396/1.8=73...(23) Violated in 0 structures by 0.00 A. Peak 9552 from cnoeabs.peaks (0.79, 1.36, 28.83 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 36 + HD3 LYS 58 OK 100 100 100 100 3.1-3.7 10874=100, 10872/1.8=89...(25) HB3 LEU 55 + HD3 LYS 58 OK 82 87 95 99 4.0-4.9 3.0/9565=59, 3.1/1817=34...(19) QG2 VAL 69 - HD3 LYS 58 far 0 97 0 - 7.5-8.1 QD1 ILE 67 - HD3 LYS 58 far 0 99 0 - 9.7-10.7 HG2 LYS 52 - HD3 LYS 58 far 0 100 0 - 9.8-11.7 QD1 ILE 11 - HD3 LYS 58 far 0 82 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 9553 from cnoeabs.peaks (0.10, 3.00, 42.32 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 61 + HE3 LYS 58 OK 100 100 100 100 3.5-4.2 10768/3.0=76...(18) QB ALA 22 + HB3 PHE 41 OK 64 64 100 100 4.0-4.4 8135/2.5=77, 8132/3.0=68...(9) QD1 LEU 15 - HB3 PHE 41 far 0 73 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 9554 from cnoeabs.peaks (0.78, 3.00, 42.32 ppm; 3.90 A): 1 out of 7 assignments used, quality = 0.99: QD2 LEU 36 + HE3 LYS 58 OK 99 99 100 100 2.9-3.9 2.1/8242=82, 9165=73...(21) HB3 LEU 55 - HE3 LYS 58 far 0 98 0 - 5.0-6.3 QG2 VAL 69 - HE3 LYS 58 far 0 100 0 - 7.5-8.5 QG2 ILE 23 - HB3 PHE 41 far 0 65 0 - 7.6-8.0 QD2 LEU 109 - HB3 PHE 41 far 0 56 0 - 7.6-22.1 QD1 ILE 23 - HB3 PHE 41 far 0 56 0 - 8.0-8.6 QD1 ILE 11 - HE3 LYS 58 far 0 96 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 9555 from cnoeabs.peaks (0.99, 3.00, 42.32 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.98: QG2 THR 37 + HE3 LYS 58 OK 98 99 100 99 2.9-3.8 9186=78, 9557/1.8=61...(8) QG1 VAL 25 - HE3 LYS 58 far 0 98 0 - 5.1-5.9 HB2 LEU 15 - HB3 PHE 41 far 0 51 0 - 8.9-9.5 Violated in 2 structures by 0.01 A. Peak 9556 from cnoeabs.peaks (1.14, 3.00, 42.32 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 36 + HE3 LYS 58 OK 100 100 100 100 1.9-3.2 8242=100, 8243/1.8=67...(23) HG LEU 51 - HE3 LYS 58 far 0 71 0 - 8.3-10.0 HG3 ARG 66 - HE3 LYS 58 far 0 98 0 - 8.5-11.7 HB2 LEU 51 - HE3 LYS 58 far 0 57 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 9557 from cnoeabs.peaks (1.00, 2.86, 42.32 ppm; 4.11 A increased from 3.87 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 37 + HE2 LYS 58 OK 100 100 100 100 4.0-4.1 9187=88, 9555/1.8=85...(7) QG1 VAL 25 - HE2 LYS 58 far 0 91 0 - 5.9-6.8 Violated in 1 structures by 0.00 A. Peak 9558 from cnoeabs.peaks (0.79, 2.86, 42.32 ppm; 4.70 A increased from 3.96 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 36 + HE2 LYS 58 OK 100 100 100 100 3.5-4.7 2.1/8243=92, 9554/1.8=91...(20) QG2 ILE 90 + HE2 LYS 88 OK 55 58 100 96 4.2-5.1 10076/3.8=59, 9053=48...(10) QG2 ILE 90 + HE3 LYS 88 OK 52 54 100 96 2.9-4.8 10076/3.8=59, 9053=47...(10) HB3 LEU 55 - HE2 LYS 58 far 0 87 0 - 5.8-6.5 QG2 VAL 69 - HE2 LYS 58 far 0 97 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 9562 from cnoeabs.peaks (3.19, 4.11, 53.53 ppm; 5.87 A increased from 5.21 A): 2 out of 2 assignments used, quality = 0.90: HB3 HIS 59 + HA LYS 58 OK 68 99 100 68 4.4-5.7 4.6/10752=68 HB2 HIS 59 + HA LYS 58 OK 67 99 100 68 4.2-5.7 4.6/10752=68 Violated in 0 structures by 0.00 A. Peak 9563 from cnoeabs.peaks (3.71, 1.28, 23.86 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 55 + HG2 LYS 58 OK 100 100 100 100 4.1-4.3 9565/3.0=69...(12) Violated in 0 structures by 0.00 A. Peak 9564 from cnoeabs.peaks (3.69, 1.47, 23.86 ppm; 5.18 A increased from 4.60 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 55 + HG3 LYS 58 OK 96 96 100 100 4.8-5.1 9563/1.8=87, 9565/3.0=77...(12) Violated in 0 structures by 0.00 A. Peak 9565 from cnoeabs.peaks (3.71, 1.36, 28.83 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 55 + HD3 LYS 58 OK 100 100 100 100 1.9-3.4 8380/9551=60...(15) HA GLU 63 - HD3 LYS 58 far 0 75 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9568 from cnoeabs.peaks (7.23, 4.11, 53.53 ppm; 4.57 A): 1 out of 4 assignments used, quality = 0.73: HD1 TRP 60 + HA LYS 58 OK 73 73 100 99 3.5-3.7 2.6/9585=71, ~9600=40...(12) QE PHE 10 - HA LYS 58 far 0 88 0 - 7.6-7.9 HH2 TRP 60 - HA LYS 58 far 0 75 0 - 8.7-9.1 HZ3 TRP 60 - HA LYS 58 far 0 100 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 9570 from cnoeabs.peaks (7.24, 1.55, 29.76 ppm; 5.41 A): 1 out of 12 assignments used, quality = 0.96: QE PHE 10 + HB3 LYS 58 OK 96 99 100 97 4.8-5.1 9573/3.6=68...(13) HD21 ASN 85 - HB3 LYS 84 poor 12 33 95 39 3.4-6.0 5.6/7465=37, 10650/3236=1 HZ3 TRP 80 - HB3 LYS 84 far 6 38 15 - 5.9-6.7 QE PHE 10 - HB2 ARG 66 far 0 61 0 - 6.1-6.9 HH2 TRP 60 - HB3 LYS 58 far 0 93 0 - 6.3-6.7 HZ3 TRP 60 - HB3 LYS 58 far 0 93 0 - 6.9-7.2 HH2 TRP 42 - HG13 ILE 77 far 0 33 0 - 7.4-7.8 HE22 GLN 86 - HB3 LYS 84 far 0 29 0 - 7.5-7.9 HZ3 TRP 80 - HG13 ILE 77 far 0 50 0 - 7.9-8.5 HE3 TRP 48 - HG13 ILE 77 far 0 38 0 - 8.8-9.4 HH2 TRP 60 - HB2 ARG 66 far 0 55 0 - 9.5-10.2 HZ3 TRP 60 - HB2 ARG 66 far 0 55 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9571 from cnoeabs.peaks (7.24, 1.62, 28.83 ppm; 4.53 A): 2 out of 5 assignments used, quality = 1.00: QE PHE 10 + HD2 LYS 58 OK 97 99 100 98 3.6-4.5 9573/1.8=65...(12) HH2 TRP 60 + HD2 LYS 58 OK 88 93 95 100 4.8-6.1 2.5/9572=77...(13) HZ3 TRP 60 - HD2 LYS 58 far 0 93 0 - 6.2-7.4 HE3 TRP 48 - HB2 GLN 50 far 0 66 0 - 8.9-9.3 QE PHE 10 - HG13 ILE 67 far 0 81 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 9572 from cnoeabs.peaks (7.46, 1.62, 28.83 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: HZ2 TRP 60 + HD2 LYS 58 OK 100 100 100 100 3.1-4.4 8239/10871=77, 9588=75...(20) H VAL 25 - HB2 GLN 50 far 0 94 0 - 8.3-9.0 H VAL 25 - HD2 LYS 58 far 0 98 0 - 9.6-10.3 Violated in 1 structures by 0.01 A. Peak 9573 from cnoeabs.peaks (7.24, 1.36, 28.83 ppm; 5.08 A increased from 4.78 A): 1 out of 3 assignments used, quality = 0.97: QE PHE 10 + HD3 LYS 58 OK 97 99 100 99 3.8-5.0 10879/10873=52...(13) HH2 TRP 60 - HD3 LYS 58 far 5 93 5 - 4.7-6.7 HZ3 TRP 60 - HD3 LYS 58 far 0 93 0 - 6.0-7.9 Violated in 0 structures by 0.00 A. Peak 9574 from cnoeabs.peaks (7.46, 1.36, 28.83 ppm; 4.95 A increased from 4.66 A): 1 out of 2 assignments used, quality = 1.00: HZ2 TRP 60 + HD3 LYS 58 OK 100 100 100 100 2.8-5.0 9572/1.8=94...(21) H VAL 25 - HD3 LYS 58 far 0 99 0 - 9.3-10.1 Violated in 1 structures by 0.00 A. Peak 9575 from cnoeabs.peaks (7.48, 2.86, 42.32 ppm; 5.07 A increased from 4.77 A): 1 out of 5 assignments used, quality = 0.97: HZ2 TRP 60 + HE2 LYS 58 OK 97 97 100 100 3.7-5.1 9606/8243=76...(13) HZ2 TRP 16 - HE3 LYS 88 far 0 57 0 - 6.9-9.1 HZ2 TRP 16 - HE2 LYS 88 far 0 61 0 - 8.3-9.2 H VAL 25 - HE2 LYS 58 far 0 82 0 - 8.8-9.6 HZ3 TRP 16 - HE3 LYS 88 far 0 33 0 - 9.6-12.1 Violated in 2 structures by 0.01 A. Peak 9576 from cnoeabs.peaks (7.46, 3.00, 42.32 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: HZ2 TRP 60 + HE3 LYS 58 OK 100 100 100 100 3.6-5.3 8239/8242=91...(15) H VAL 25 - HE3 LYS 58 far 0 96 0 - 7.8-8.8 Violated in 1 structures by 0.01 A. Peak 9578 from cnoeabs.peaks (7.01, 7.19, 127.30 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.67: H ILE 61 + HD1 TRP 60 OK 67 67 100 99 4.2-4.5 6794=65, 4.6/6783=55...(11) H LYS 58 - HD1 TRP 60 far 0 100 0 - 5.4-5.7 H ALA 57 - HD1 TRP 60 far 0 79 0 - 8.2-8.3 QD PHE 10 - HD1 TRP 60 far 0 67 0 - 8.7-8.8 Violated in 3 structures by 0.01 A. Peak 9579 from cnoeabs.peaks (6.88, 7.19, 127.30 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: H TRP 60 + HD1 TRP 60 OK 100 100 100 100 2.3-2.4 6783=100, 6781/1883=46...(10) Violated in 0 structures by 0.00 A. Peak 9587 from cnoeabs.peaks (1.15, 7.26, 125.17 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 36 + HH2 TRP 60 OK 100 100 100 100 2.7-3.0 8239/2.5=93, 2.1/9609=62...(20) HG3 ARG 66 - HH2 TRP 60 far 0 90 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 9588 from cnoeabs.peaks (1.63, 7.46, 114.23 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HZ2 TRP 60 OK 100 100 100 100 3.1-4.4 9572=100, 10871/8239=87...(20) HB2 LEU 55 - HZ2 TRP 60 far 0 91 0 - 8.2-8.7 HB ILE 28 - HZ2 TRP 60 far 0 100 0 - 9.1-9.5 HB2 ARG 66 - HZ2 TRP 60 far 0 65 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9603 from cnoeabs.peaks (0.09, 7.19, 127.30 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.98: QD1 ILE 61 + HD1 TRP 60 OK 98 98 100 100 3.3-3.5 9601/2.6=91...(17) Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (1.47, 7.19, 127.30 ppm; 5.95 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 58 + HD1 TRP 60 OK 100 100 100 100 3.3-3.6 9595/2.6=99, ~9597=78...(16) QB ALA 57 - HD1 TRP 60 poor 15 73 20 - 6.5-6.7 HB2 LEU 36 - HD1 TRP 60 far 0 96 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 9605 from cnoeabs.peaks (1.36, 7.46, 114.23 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: HD3 LYS 58 + HZ2 TRP 60 OK 100 100 100 100 2.8-5.0 9574=100, 1.8/9572=99...(21) Violated in 0 structures by 0.00 A. Peak 9606 from cnoeabs.peaks (1.16, 7.46, 114.23 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 36 + HZ2 TRP 60 OK 100 100 100 100 1.8-1.9 8239=99, 2.1/9146=60...(19) HG3 ARG 66 - HZ2 TRP 60 far 0 88 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 9607 from cnoeabs.peaks (0.79, 7.46, 114.23 ppm; 4.77 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 36 + HZ2 TRP 60 OK 100 100 100 100 3.2-3.4 2.1/8239=99, 9146=93...(18) HB3 LEU 55 - HZ2 TRP 60 far 0 90 0 - 6.6-7.3 QD1 ILE 11 - HZ2 TRP 60 far 0 85 0 - 8.0-9.7 QG1 VAL 29 - HZ2 TRP 60 far 0 59 0 - 8.0-8.4 QG2 VAL 69 - HZ2 TRP 60 far 0 98 0 - 8.8-9.1 QG2 ILE 28 - HZ2 TRP 60 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9608 from cnoeabs.peaks (0.08, 7.46, 114.23 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.95: QD1 ILE 61 + HZ2 TRP 60 OK 95 95 100 100 2.8-3.0 8251/8239=97...(16) Violated in 0 structures by 0.00 A. Peak 9609 from cnoeabs.peaks (0.79, 7.26, 125.17 ppm; 6.00 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 36 + HH2 TRP 60 OK 100 100 100 100 3.0-3.2 9146/2.5=100...(21) QD1 ILE 11 - HH2 TRP 60 far 5 91 5 - 6.5-8.2 QG1 VAL 29 - HH2 TRP 60 far 0 68 0 - 6.7-7.0 QG2 ILE 28 - HH2 TRP 60 far 0 100 0 - 7.0-7.4 HB3 LEU 55 - HH2 TRP 60 far 0 94 0 - 7.1-7.7 QG2 VAL 69 - HH2 TRP 60 far 0 99 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 9610 from cnoeabs.peaks (0.08, 7.26, 125.17 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.95: QD1 ILE 61 + HH2 TRP 60 OK 95 95 100 100 3.4-3.6 8251/9587=89...(14) Violated in 0 structures by 0.00 A. Peak 9611 from cnoeabs.peaks (1.12, 7.22, 122.45 ppm; 6.00 A): 2 out of 4 assignments used, quality = 0.91: QD1 LEU 36 + HZ3 TRP 60 OK 71 71 100 100 4.7-5.0 ~9609=72, 8239/4.3=68...(14) QG2 THR 8 + HZ3 TRP 60 OK 69 71 100 97 1.9-2.0 10325/10833=61...(12) QG2 THR 5 - HZ3 TRP 60 far 0 94 0 - 8.4-10.6 HG3 ARG 66 - HZ3 TRP 60 far 0 96 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. Peak 9612 from cnoeabs.peaks (0.82, 4.51, 55.39 ppm; 5.45 A): 1 out of 7 assignments used, quality = 0.31: QG2 ILE 90 + HA GLN 89 OK 31 41 100 76 4.4-4.7 619/3.6=37, ~9486=28...(8) QG2 VAL 6 - HA TRP 60 lone 1 92 80 2 4.8-8.8 QG1 VAL 6 - HA TRP 60 lone 1 85 80 2 4.2-7.1 HB2 LYS 84 - HA GLN 89 far 0 64 0 - 6.8-9.4 QD2 LEU 36 - HA TRP 60 far 0 81 0 - 7.9-8.1 QD2 LEU 17 - HA GLN 89 far 0 58 0 - 8.5-11.1 QD1 LEU 17 - HA GLN 89 far 0 66 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 9616 from cnoeabs.peaks (0.79, 0.34, 15.66 ppm; 3.89 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 36 + QG2 ILE 61 OK 96 100 100 96 3.1-4.2 8249/3.3=70, ~8251=35...(11) HB3 LEU 55 + QG2 ILE 61 OK 91 92 100 100 1.9-2.2 1677=44, 1.8/1668=37...(29) QG2 VAL 69 - QG2 ILE 61 far 0 99 0 - 4.6-4.8 QD1 ILE 67 - QG2 ILE 61 far 0 98 0 - 5.0-5.6 HG2 LYS 52 - QG2 ILE 61 far 0 100 0 - 7.3-9.2 QD1 ILE 11 - QG2 ILE 61 far 0 88 0 - 8.1-9.7 QG2 ILE 28 - QG2 ILE 61 far 0 100 0 - 8.3-9.5 QG1 VAL 29 - QG2 ILE 61 far 0 63 0 - 9.5-10.9 QD1 ILE 23 - QG2 ILE 61 far 0 68 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 9617 from cnoeabs.peaks (0.79, 0.04, 25.69 ppm; 5.55 A): 5 out of 13 assignments used, quality = 1.00: QD2 LEU 36 + HG12 ILE 61 OK 100 100 100 100 3.2-5.0 8249/2.1=100, ~8251=90...(11) QD2 LEU 36 + HG13 ILE 61 OK 100 100 100 100 2.8-4.0 8249/2.1=100, ~8251=90...(12) HB3 LEU 55 + HG12 ILE 61 OK 90 90 100 100 2.4-4.7 ~8351=68, ~8380=67...(25) HB3 LEU 55 + HG13 ILE 61 OK 89 89 100 100 2.3-3.0 ~8351=68, ~8380=67...(25) QG2 VAL 69 + HG13 ILE 61 OK 21 98 80 26 5.7-7.0 8450/11009=23, 10927/1934=1 QG2 VAL 69 - HG12 ILE 61 far 0 98 0 - 6.4-8.3 QD1 ILE 67 - HG13 ILE 61 far 0 99 0 - 7.9-8.2 QD1 ILE 67 - HG12 ILE 61 far 0 99 0 - 8.2-9.1 QD1 ILE 11 - HG13 ILE 61 far 0 85 0 - 8.2-11.3 QD1 ILE 11 - HG12 ILE 61 far 0 85 0 - 9.3-12.1 HG2 LYS 52 - HG12 ILE 61 far 0 100 0 - 9.6-12.3 HG2 LYS 52 - HG13 ILE 61 far 0 100 0 - 9.8-11.1 QG2 ILE 28 - HG13 ILE 61 far 0 99 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 9619 from cnoeabs.peaks (1.57, 1.27, 37.07 ppm; 4.30 A): 2 out of 6 assignments used, quality = 0.96: HB3 LYS 58 + HB ILE 61 OK 91 91 100 100 2.8-4.2 8377/1941=76...(22) HB2 LEU 55 + HB ILE 61 OK 53 77 70 99 4.6-5.1 1.8/10438=31...(22) QB ALA 62 - HB ILE 61 far 15 100 15 - 4.7-5.6 HB2 ARG 66 - HB ILE 61 far 0 96 0 - 5.4-5.9 HG LEU 36 - HB ILE 61 far 0 99 0 - 7.2-8.0 HG13 ILE 67 - HB ILE 61 far 0 87 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 9621 from cnoeabs.peaks (0.98, 0.10, 14.62 ppm; 5.57 A increased from 5.24 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 25 + QD1 ILE 61 OK 99 100 100 99 5.0-5.4 8947/8351=65...(7) QG2 THR 37 + QD1 ILE 61 OK 94 94 100 100 5.3-5.6 8260/8251=88...(7) QG2 THR 33 - QD1 ILE 61 far 0 61 0 - 8.7-9.0 HG13 ILE 28 - QD1 ILE 61 far 0 85 0 - 9.3-9.5 HG3 LYS 52 - QD1 ILE 61 far 0 59 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9622 from cnoeabs.peaks (1.47, 0.10, 14.62 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 58 + QD1 ILE 61 OK 100 100 100 100 3.2-3.8 9550=76, 3.0/8377=72...(30) HB2 LEU 36 - QD1 ILE 61 far 0 99 0 - 5.3-5.6 QB ALA 57 - QD1 ILE 61 far 0 81 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 9623 from cnoeabs.peaks (2.80, 0.34, 15.66 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 66 + QG2 ILE 61 OK 100 100 100 100 2.1-4.1 9716=99, 1.8/9719=91...(19) HB2 PHE 10 + QG2 ILE 61 OK 57 94 65 94 4.8-5.8 4.4/8383=68...(5) HE3 LYS 52 - QG2 ILE 61 far 0 100 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 9624 from cnoeabs.peaks (3.45, 0.34, 15.66 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.99: HA ARG 66 + QG2 ILE 61 OK 99 100 100 99 3.7-4.1 3.0/8418=69, 3.8/8369=50...(14) HA LEU 51 - QG2 ILE 61 far 0 96 0 - 8.2-8.6 Violated in 3 structures by 0.02 A. Peak 9625 from cnoeabs.peaks (3.68, 0.34, 15.66 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 63 + QG2 ILE 61 OK 99 100 100 99 3.8-4.8 6851/8418=71...(9) HA LEU 55 + QG2 ILE 61 OK 74 75 100 99 3.3-3.7 8380/3.3=53, 3.0/1668=39...(17) HB3 SER 9 - QG2 ILE 61 far 0 81 0 - 7.7-9.0 HB2 SER 9 - QG2 ILE 61 far 0 77 0 - 7.8-9.6 HB3 SER 34 - QG2 ILE 61 far 0 87 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 9626 from cnoeabs.peaks (4.20, 0.34, 15.66 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.99: HA ALA 62 + QG2 ILE 61 OK 96 96 100 100 3.5-4.0 2.1/8393=99, 3.0/6810=99...(16) HA HIS 59 + QG2 ILE 61 OK 78 99 100 78 5.6-6.0 9628/1915=78 HA ALA 57 - QG2 ILE 61 far 0 70 0 - 6.8-7.8 HA VAL 29 - QG2 ILE 61 far 0 70 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 9627 from cnoeabs.peaks (4.54, 0.34, 15.66 ppm; 5.16 A increased from 4.86 A): 1 out of 4 assignments used, quality = 0.99: HA ASP 65 + QG2 ILE 61 OK 99 99 100 100 4.5-5.2 3.0/8373=92, 3.0/8372=91...(8) HA TRP 60 - QG2 ILE 61 far 0 79 0 - 5.9-6.0 HA ILE 11 - QG2 ILE 61 far 0 75 0 - 8.3-9.3 HA ASN 68 - QG2 ILE 61 far 0 77 0 - 8.7-9.0 Violated in 2 structures by 0.00 A. Peak 9632 from cnoeabs.peaks (4.09, 0.10, 14.62 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.98: HA LYS 58 + QD1 ILE 61 OK 96 96 100 100 4.2-4.8 9546=96, 3.0/8377=91...(26) HB THR 8 + QD1 ILE 61 OK 52 99 100 53 5.0-5.4 8694/11041=33...(4) HA VAL 6 - QD1 ILE 61 far 0 100 0 - 8.2-10.9 HA ASP 53 - QD1 ILE 61 far 0 99 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 9633 from cnoeabs.peaks (4.20, 3.90, 61.22 ppm; 4.60 A increased from 4.33 A): 1 out of 3 assignments used, quality = 0.96: HA ALA 62 + HA ILE 61 OK 96 96 100 100 4.4-4.5 3.0/6808=95, 2.1/8389=86...(9) HA HIS 59 - HA ILE 61 far 0 99 0 - 6.1-6.4 HA ALA 57 - HA ILE 61 far 0 70 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9634 from cnoeabs.peaks (7.30, 3.90, 61.22 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.98: HZ PHE 10 + HA ILE 61 OK 92 96 100 96 2.4-2.6 9643/6808=49...(12) HE3 TRP 60 + HA ILE 61 OK 79 100 100 79 3.8-4.0 10891=31, 2.5/9635=26...(6) Violated in 0 structures by 0.00 A. Peak 9635 from cnoeabs.peaks (7.24, 3.90, 61.22 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.99: QE PHE 10 + HA ILE 61 OK 95 96 100 99 3.4-3.6 8383/1902=56...(15) HZ3 TRP 60 + HA ILE 61 OK 77 96 100 80 4.5-4.8 2.5/9297=40, 11085=34...(7) HH2 TRP 60 - HA ILE 61 far 0 88 0 - 5.5-5.7 Violated in 0 structures by 0.00 A. Peak 9637 from cnoeabs.peaks (7.25, 0.03, 25.69 ppm; 5.17 A): 4 out of 6 assignments used, quality = 1.00: QE PHE 10 + HG13 ILE 61 OK 100 100 100 100 2.1-4.2 8383/3.2=83...(21) QE PHE 10 + HG12 ILE 61 OK 100 100 100 100 3.3-4.8 8383/3.2=83...(21) HH2 TRP 60 + HG13 ILE 61 OK 77 98 80 98 5.1-6.5 9610/2.1=63, ~9640=57...(10) HZ3 TRP 60 + HG13 ILE 61 OK 65 84 80 97 5.4-6.9 ~9610=46, 11085/3.8=44...(11) HH2 TRP 60 - HG12 ILE 61 far 0 98 0 - 6.0-6.6 HZ3 TRP 60 - HG12 ILE 61 far 0 83 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 9639 from cnoeabs.peaks (7.32, 0.10, 14.62 ppm; 3.72 A): 2 out of 2 assignments used, quality = 0.99: HZ PHE 10 + QD1 ILE 61 OK 96 100 100 96 2.0-2.3 11038/3.3=46...(18) HE3 TRP 60 + QD1 ILE 61 OK 85 93 100 91 3.1-3.4 5.3/9601=28, 5.0/9640=26...(12) Violated in 0 structures by 0.00 A. Peak 9640 from cnoeabs.peaks (7.47, 0.10, 14.62 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: HZ2 TRP 60 + QD1 ILE 61 OK 100 100 100 100 2.8-3.0 8239/8251=84...(16) H VAL 25 - QD1 ILE 61 far 0 93 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9646 from cnoeabs.peaks (7.83, 1.58, 18.56 ppm; 4.43 A increased from 3.94 A): 1 out of 1 assignment used, quality = 1.00: H ARG 66 + QB ALA 62 OK 100 100 100 100 4.0-4.3 6854/8412=91...(8) Violated in 0 structures by 0.00 A. Peak 9647 from cnoeabs.peaks (7.25, 1.58, 18.56 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 10 + QB ALA 62 OK 100 100 100 100 3.5-4.0 9644/6815=82...(7) HZ3 TRP 60 + QB ALA 62 OK 32 84 85 45 5.8-6.4 11085/8389=43, 9637/10766=1 HH2 TRP 60 - QB ALA 62 far 0 98 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 9649 from cnoeabs.peaks (3.66, 4.19, 51.92 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.99: HA GLU 63 + HA ALA 62 OK 99 99 100 100 4.3-4.3 3.0/6819=92, 9670=91...(13) Violated in 0 structures by 0.00 A. Peak 9651 from cnoeabs.peaks (4.53, 1.58, 18.56 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.95: HA ASP 65 + QB ALA 62 OK 95 95 100 100 4.1-4.4 3.0/8412=89, 3.0/8390=73...(13) HA TRP 60 - QB ALA 62 far 0 92 0 - 5.9-6.2 HA ASN 68 - QB ALA 62 far 0 91 0 - 8.6-8.7 HA SER 4 - QB ALA 62 far 0 59 0 - 9.5-13.7 Violated in 3 structures by 0.00 A. Peak 9652 from cnoeabs.peaks (2.47, 1.58, 18.56 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASP 65 + QB ALA 62 OK 98 99 100 100 3.3-4.1 1.8/8390=84...(10) Violated in 3 structures by 0.01 A. Peak 9655 from cnoeabs.peaks (2.09, 1.58, 18.56 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLU 63 + QB ALA 62 OK 99 99 100 100 4.8-4.9 6822/6820=91...(10) HG2 GLN 27 - QB ALA 62 far 0 95 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 9657 from cnoeabs.peaks (1.94, 1.58, 18.56 ppm; 4.51 A increased from 4.25 A): 1 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + QB ALA 62 OK 100 100 100 100 4.2-4.3 6823/6820=83...(11) HB2 GLN 27 - QB ALA 62 far 0 71 0 - 7.9-8.3 HB VAL 69 - QB ALA 62 far 0 77 0 - 9.3-9.5 HB3 GLN 27 - QB ALA 62 far 0 65 0 - 9.4-9.8 HB3 LEU 70 - QB ALA 62 far 0 100 0 - 9.6-9.7 Violated in 0 structures by 0.00 A. Peak 9658 from cnoeabs.peaks (0.34, 4.19, 51.92 ppm; 4.71 A): 1 out of 6 assignments used, quality = 1.00: QG2 ILE 61 + HA ALA 62 OK 100 100 100 100 3.5-4.0 6810/3.0=92, 8393/2.1=91...(16) HB2 LYS 58 - HA ALA 57 far 0 44 0 - 6.5-6.6 QG2 ILE 61 - HA ALA 57 far 0 48 0 - 6.8-7.8 QD2 LEU 55 - HA ALA 57 far 0 48 0 - 7.4-7.5 QD2 LEU 55 - HA ALA 62 far 0 100 0 - 8.2-8.4 HB2 LYS 58 - HA ALA 62 far 0 97 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 9662 from cnoeabs.peaks (1.27, 3.67, 60.07 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.99: HG2 ARG 66 + HA GLU 63 OK 95 96 100 100 2.1-4.5 2.9/1964=76...(7) HG12 ILE 67 + HA GLU 63 OK 82 82 100 100 4.6-4.8 1.8/1963=99, 2.1/9750=90...(15) HB ILE 61 - HA GLU 63 far 0 100 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 9663 from cnoeabs.peaks (0.82, 3.67, 60.07 ppm; 4.96 A): 1 out of 6 assignments used, quality = 0.93: QD1 ILE 67 + HA GLU 63 OK 93 93 100 100 3.2-3.7 2.1/1963=98, 9750=93...(17) QD2 LEU 36 - HA GLU 63 far 0 77 0 - 8.6-8.8 HG2 LYS 52 - HA GLU 63 far 0 82 0 - 8.8-11.2 QG1 VAL 6 - HA GLU 63 far 0 88 0 - 8.9-12.6 QD1 LEU 51 - HA GLU 63 far 0 63 0 - 9.0-9.3 QG2 VAL 25 - HA GLU 63 far 0 82 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 9665 from cnoeabs.peaks (8.54, 2.17, 35.50 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: H ILE 67 + HG2 GLU 63 OK 100 100 100 100 4.1-4.3 6881/8399=74...(12) H ILE 67 + HG3 GLU 63 OK 72 100 75 97 4.4-5.9 10457/4.1=48...(9) H GLU 56 - HG3 GLU 63 far 0 99 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 9666 from cnoeabs.peaks (7.82, 2.17, 35.50 ppm; 5.64 A increased from 5.01 A): 2 out of 4 assignments used, quality = 1.00: H ARG 66 + HG2 GLU 63 OK 99 99 100 100 5.1-5.4 6852/1992=85...(10) H ARG 66 + HG3 GLU 63 OK 72 99 75 97 5.3-6.7 6851/4.1=82...(7) HD22 ASN 71 - HG2 GLU 63 far 0 71 0 - 7.4-7.6 HD22 ASN 71 - HG3 GLU 63 far 0 71 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9668 from cnoeabs.peaks (6.91, 3.67, 60.07 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.84: H ASP 65 + HA GLU 63 OK 84 84 100 100 4.5-4.6 6841=77, 6837/3.6=70...(10) H TRP 60 - HA GLU 63 far 0 81 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9669 from cnoeabs.peaks (3.97, 3.67, 60.07 ppm; 5.07 A increased from 4.51 A): 1 out of 1 assignment used, quality = 0.94: HA ALA 64 + HA GLU 63 OK 94 94 100 100 4.8-4.8 6835/3.6=87...(19) Violated in 0 structures by 0.00 A. Peak 9670 from cnoeabs.peaks (4.18, 3.67, 60.07 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 62 + HA GLU 63 OK 100 100 100 100 4.3-4.3 9649=98, 6819/3.0=93...(13) HA HIS 59 - HA GLU 63 far 0 82 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 9672 from cnoeabs.peaks (4.18, 2.10, 29.37 ppm; 4.75 A increased from 4.47 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 62 + HB2 GLU 63 OK 100 100 100 100 4.6-4.6 8573=98, 6819/6822=91...(8) HA HIS 59 - HB2 GLU 63 far 0 82 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 9673 from cnoeabs.peaks (4.19, 1.94, 29.37 ppm; 4.29 A increased from 3.81 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 62 + HB3 GLU 63 OK 100 100 100 100 4.7-4.8 6819/6823=81...(9) HA GLN 72 + HB3 GLU 101 OK 55 98 100 56 4.0-4.1 9861/10684=18...(10) HA ALA 57 - HB2 GLU 54 far 0 83 0 - 7.7-7.8 HB THR 74 - HB3 GLU 101 far 0 61 0 - 9.2-9.4 HA ALA 47 - HB2 GLU 54 far 0 54 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 9674 from cnoeabs.peaks (3.97, 2.17, 35.50 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.94: HA ALA 64 + HG2 GLU 63 OK 94 94 100 100 3.5-3.5 9685=73, 3.0/1985=71...(19) HA ALA 64 - HG3 GLU 63 far 0 94 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 9676 from cnoeabs.peaks (1.58, 2.10, 29.37 ppm; 4.53 A increased from 4.26 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 62 + HB2 GLU 63 OK 99 99 100 100 4.8-4.9 6820/6822=84, 9655=78...(10) HG13 ILE 67 + HB2 GLU 63 OK 97 97 100 100 4.3-4.4 1963/3.0=82, ~9756=49...(18) HB3 LEU 83 - HG12 ILE 90 poor 8 42 20 - 4.1-6.0 HB2 ARG 66 - HB2 GLU 63 far 0 100 0 - 7.5-7.7 HB2 LEU 55 - HB2 GLU 63 far 0 92 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9677 from cnoeabs.peaks (1.36, 2.10, 29.37 ppm; 4.76 A): 3 out of 5 assignments used, quality = 0.99: QB ALA 64 + HB2 GLU 63 OK 98 98 100 100 5.1-5.2 6836/6831=89...(17) HG LEU 83 + HG12 ILE 90 OK 48 56 100 85 4.6-5.2 ~10570=54, ~10569=50...(4) HB2 LYS 88 + HG12 ILE 90 OK 27 40 100 68 3.2-4.3 ~10076=36, ~10320=17...(6) HD3 LYS 84 - HG12 ILE 90 far 0 58 0 - 8.1-13.3 HG3 LYS 84 - HG12 ILE 90 far 0 55 0 - 8.3-12.7 Violated in 0 structures by 0.00 A. Peak 9678 from cnoeabs.peaks (1.58, 1.94, 29.37 ppm; 4.04 A): 3 out of 11 assignments used, quality = 1.00: QB ALA 62 + HB3 GLU 63 OK 99 99 100 100 4.2-4.3 9657=72, 6820/6823=72...(11) HG13 ILE 67 + HB3 GLU 63 OK 97 97 100 100 3.8-4.1 1963/3.0=70, 1.8/9756=48...(22) HG LEU 36 + HB2 GLU 54 OK 67 88 100 76 3.6-4.3 8262/9192=56, 8559=19...(8) HB3 LEU 83 - HG13 ILE 90 far 4 77 5 - 4.6-7.1 HD2 LYS 58 - HB2 GLU 54 far 3 58 5 - 4.3-6.0 HB2 LEU 55 - HB2 GLU 54 far 0 86 0 - 5.0-5.3 HB3 LYS 58 - HB2 GLU 54 far 0 69 0 - 6.5-7.4 HB2 ARG 66 - HB2 GLU 54 far 0 96 0 - 7.0-7.3 HB2 ARG 66 - HB3 GLU 63 far 0 100 0 - 7.8-8.1 HB3 LEU 83 - HB2 GLU 94 far 0 40 0 - 8.6-10.8 HB2 LEU 55 - HB3 GLU 63 far 0 92 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 9679 from cnoeabs.peaks (1.37, 1.94, 29.37 ppm; 4.30 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 64 + HB3 GLU 63 OK 100 100 100 100 3.7-3.8 9683=100, 6836/6832=92...(17) HD3 LYS 58 + HB2 GLU 54 OK 31 93 95 35 4.1-5.6 10874/2569=11...(5) HB2 LYS 88 - HG13 ILE 90 far 13 89 15 - 4.0-5.7 HG LEU 83 - HG13 ILE 90 far 0 84 0 - 5.1-6.7 HB2 LYS 88 - HB2 GLU 94 far 0 48 0 - 6.4-8.1 HB3 LYS 52 - HB2 GLU 54 far 0 83 0 - 7.6-8.0 HG LEU 83 - HB2 GLU 94 far 0 45 0 - 8.0-9.3 HG3 LYS 84 - HG13 ILE 90 far 0 97 0 - 8.7-13.3 HD3 LYS 84 - HG13 ILE 90 far 0 97 0 - 9.4-14.2 QB ALA 64 - HB3 GLU 101 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 9680 from cnoeabs.peaks (0.82, 1.94, 29.37 ppm; 3.62 A): 4 out of 21 assignments used, quality = 0.97: QG2 VAL 102 + HB3 GLU 101 OK 82 90 100 91 2.7-3.1 2889/2856=42...(11) QG2 ILE 90 + HG13 ILE 90 OK 58 58 100 100 2.9-3.2 3.2=100 QD1 LEU 51 + HB2 GLU 54 OK 50 54 100 93 3.3-3.8 10683/1.8=43...(10) QG2 ILE 90 + HB2 GLU 94 OK 28 29 100 97 3.2-4.1 10114/3.0=37...(27) QD2 LEU 36 - HB2 GLU 54 far 0 74 0 - 4.3-4.9 QD1 ILE 67 - HB3 GLU 63 far 0 95 0 - 4.6-5.1 QG2 ILE 11 - HB3 GLU 101 far 0 71 0 - 5.4-5.8 QG2 VAL 25 - HB2 GLU 54 far 0 73 0 - 5.8-6.1 QD1 LEU 12 - HB3 GLU 101 far 0 80 0 - 6.0-6.4 QG2 VAL 69 - HB2 GLU 54 far 0 54 0 - 6.5-6.9 QG2 VAL 25 - HB3 GLU 101 far 0 78 0 - 7.3-7.7 QG2 VAL 69 - HB3 GLU 101 far 0 59 0 - 7.5-7.7 HG2 LYS 52 - HB2 GLU 54 far 0 79 0 - 7.6-8.1 QD1 LEU 12 - HB2 GLU 54 far 0 74 0 - 8.1-8.5 QG2 VAL 69 - HB3 GLU 63 far 0 59 0 - 8.3-8.4 QG1 VAL 6 - HB3 GLU 63 far 0 85 0 - 8.8-12.8 QG2 ILE 23 - HB3 GLU 101 far 0 96 0 - 9.0-9.5 QD1 LEU 51 - HB3 GLU 101 far 0 59 0 - 9.7-10.1 QD2 LEU 17 - HG13 ILE 90 far 0 80 0 - 9.8-11.4 QD1 ILE 67 - HB2 GLU 54 far 0 89 0 - 9.9-10.1 HB2 LYS 84 - HG13 ILE 90 far 0 87 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 9683 from cnoeabs.peaks (1.94, 1.38, 18.12 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLU 63 + QB ALA 64 OK 100 100 100 100 3.7-3.8 6832/6836=92, 9679=74...(17) HB3 LEU 70 - QB ALA 64 far 0 100 0 - 7.9-8.0 HB VAL 69 - QB ALA 64 far 0 77 0 - 8.5-8.7 HB3 GLU 101 - QB ALA 64 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 9684 from cnoeabs.peaks (2.18, 1.38, 18.12 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLU 63 + QB ALA 64 OK 100 100 100 100 4.2-4.3 8400=90, 1985/6836=86...(17) HG3 GLU 63 - QB ALA 64 far 5 100 5 - 4.7-5.5 Violated in 3 structures by 0.00 A. Peak 9685 from cnoeabs.peaks (2.17, 3.99, 55.13 ppm; 3.88 A): 2 out of 7 assignments used, quality = 1.00: HG2 GLU 63 + HA ALA 64 OK 100 100 100 100 3.5-3.5 9674=85, 1992/6835=70...(19) HG3 GLN 96 + HA ALA 93 OK 28 30 100 93 2.5-4.1 3.0/2650=44, 3.0/2640=36...(9) HG3 GLU 63 - HA ALA 64 far 0 100 0 - 4.7-5.0 HG2 GLU 94 - HA ALA 93 far 0 44 0 - 5.4-6.1 HB3 GLU 94 - HA ALA 93 far 0 47 0 - 5.7-6.0 HG12 ILE 90 - HA ALA 93 far 0 33 0 - 8.8-9.7 HB VAL 102 - HA ALA 93 far 0 41 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 9686 from cnoeabs.peaks (1.95, 3.99, 55.13 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.99: HB3 GLU 63 + HA ALA 64 OK 99 99 100 100 4.2-4.2 6832/6835=86...(15) HB2 GLU 94 - HA ALA 93 far 0 37 0 - 6.6-6.6 HG13 ILE 90 - HA ALA 93 far 0 53 0 - 7.1-8.8 HB3 LEU 70 - HA ALA 64 far 0 100 0 - 7.2-7.3 HB ILE 90 - HA ALA 93 far 0 30 0 - 7.5-7.8 HB VAL 69 - HA ALA 64 far 0 93 0 - 9.2-9.3 Violated in 0 structures by 0.00 A. Peak 9687 from cnoeabs.peaks (1.24, 3.99, 55.13 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.98: HG12 ILE 67 + HA ALA 64 OK 98 98 100 100 3.8-4.0 8438=87, 1.8/8408=85...(17) HB ILE 61 - HA ALA 64 far 0 61 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 9691 from cnoeabs.peaks (2.65, 1.38, 18.12 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 65 + QB ALA 64 OK 100 100 100 100 4.3-4.7 6847/6844=91...(8) HB3 PHE 10 - QB ALA 64 far 0 100 0 - 7.8-8.2 HG3 GLN 72 - QB ALA 64 far 0 93 0 - 8.8-9.2 Violated in 3 structures by 0.01 A. Peak 9693 from cnoeabs.peaks (8.54, 1.38, 18.12 ppm; 4.65 A increased from 4.37 A): 1 out of 3 assignments used, quality = 1.00: H ILE 67 + QB ALA 64 OK 100 100 100 100 4.4-4.5 1997/2.1=91...(10) H SER 9 - QB ALA 64 far 0 65 0 - 9.1-9.5 H ILE 28 - QB ALA 64 far 0 87 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9694 from cnoeabs.peaks (7.83, 1.38, 18.12 ppm; 4.58 A increased from 4.31 A): 1 out of 1 assignment used, quality = 1.00: H ARG 66 + QB ALA 64 OK 100 100 100 100 4.4-4.6 6854/6844=93, 9725=91...(13) Violated in 1 structures by 0.00 A. Peak 9695 from cnoeabs.peaks (7.60, 1.38, 18.12 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: H ASN 68 + QB ALA 64 OK 100 100 100 100 3.8-3.9 9760=97, 6889/2.1=92...(8) Violated in 0 structures by 0.00 A. Peak 9696 from cnoeabs.peaks (7.59, 3.99, 55.13 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: H ASN 68 + HA ALA 64 OK 100 100 100 100 3.0-3.1 6889=94, 6895/1998=75...(8) Violated in 0 structures by 0.00 A. Peak 9705 from cnoeabs.peaks (0.43, 1.59, 29.68 ppm; 4.52 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 55 + HB2 ARG 66 OK 100 100 100 100 1.9-2.1 9495/3.0=45, 9708/1.8=40...(37) QD1 LEU 70 + HB2 ARG 66 OK 96 98 100 98 2.6-3.3 8470/2.9=40, 9708/1.8=39...(19) HB2 LYS 52 - HB2 ARG 66 poor 9 61 50 28 4.6-6.5 3.0/1502=12...(4) QD1 LEU 55 - HB3 LYS 58 far 0 64 0 - 6.0-6.7 QD1 LEU 70 - HB3 LYS 58 far 0 60 0 - 8.8-9.6 QD2 LEU 15 - HG13 ILE 77 far 0 77 0 - 9.4-9.8 QD1 LEU 70 - HG13 ILE 77 far 0 73 0 - 9.6-9.9 HB2 LYS 52 - HB3 LYS 58 far 0 32 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 9706 from cnoeabs.peaks (0.33, 1.59, 29.68 ppm; 3.76 A): 5 out of 8 assignments used, quality = 1.00: QG2 ILE 61 + HB2 ARG 66 OK 99 99 100 100 2.8-3.9 9713/2.9=54, 9624/3.0=52...(18) QD2 LEU 55 + HB2 ARG 66 OK 84 100 85 99 4.2-4.5 2.1/2036=29, 8422/3.0=27...(34) QG1 VAL 21 + HG13 ILE 77 OK 66 67 100 99 4.1-4.3 8119/1.8=71, 9976/2.1=51...(8) QG2 ILE 61 + HB3 LYS 58 OK 58 62 95 99 4.1-4.5 3.3/8377=56...(25) HB2 LYS 58 + HB3 LYS 58 OK 52 52 100 100 1.8-1.8 1.8=100 QD2 LEU 55 - HB3 LYS 58 far 0 64 0 - 4.5-5.2 QG2 VAL 76 - HG13 ILE 77 far 0 46 0 - 4.9-5.0 HB2 LYS 58 - HB2 ARG 66 far 0 90 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 9708 from cnoeabs.peaks (0.43, 1.71, 29.68 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HB3 ARG 66 OK 100 100 100 100 2.8-3.4 9495/3.0=43, 9710/2.9=42...(32) QD1 LEU 70 + HB3 ARG 66 OK 97 100 100 97 2.4-4.5 8470/2.9=39, 8421/3.0=37...(14) Violated in 0 structures by 0.00 A. Peak 9709 from cnoeabs.peaks (0.33, 1.71, 29.68 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 61 + HB3 ARG 66 OK 99 99 100 100 2.1-4.7 8418/6860=74...(18) QD2 LEU 55 + HB3 ARG 66 OK 60 100 60 100 4.8-5.8 2.1/9708=36, 8422/3.0=35...(35) HB2 LYS 58 - HB3 ARG 66 far 0 88 0 - 8.3-11.2 Violated in 3 structures by 0.02 A. Peak 9710 from cnoeabs.peaks (0.42, 1.29, 28.16 ppm; 3.56 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + HG2 ARG 66 OK 92 99 95 99 3.6-4.2 8470=44, 9712/1.8=33...(30) QD1 LEU 70 + HG2 ARG 66 OK 82 100 85 96 2.0-4.5 8429/11166=55, 8470=45...(13) Violated in 3 structures by 0.03 A. Peak 9711 from cnoeabs.peaks (0.33, 1.29, 28.16 ppm; 4.46 A increased from 3.97 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 61 + HG2 ARG 66 OK 99 99 100 100 3.4-4.6 9713/1.8=89, 9719/2.8=63...(15) QD2 LEU 55 - HG2 ARG 66 far 0 100 0 - 6.0-6.5 Violated in 2 structures by 0.01 A. Peak 9712 from cnoeabs.peaks (0.43, 1.13, 28.16 ppm; 3.82 A increased from 3.40 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 55 + HG3 ARG 66 OK 84 100 85 99 2.9-4.5 9710/1.8=43, 9495/3.8=28...(30) QD1 LEU 70 + HG3 ARG 66 OK 82 100 85 97 3.4-4.9 8429/8428=53...(13) Violated in 0 structures by 0.00 A. Peak 9713 from cnoeabs.peaks (0.33, 1.13, 28.16 ppm; 3.98 A increased from 3.74 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 61 + HG3 ARG 66 OK 99 99 100 100 2.1-4.0 8369=97, 9711/1.8=63...(14) QG2 VAL 76 - HD3 LYS 98 far 0 30 0 - 4.7-6.9 QD2 LEU 55 - HG3 ARG 66 far 0 100 0 - 4.9-6.8 HB2 LYS 58 - HG3 ARG 66 far 0 90 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 9714 from cnoeabs.peaks (0.76, 2.79, 42.68 ppm; 4.36 A): 2 out of 6 assignments used, quality = 0.96: HB3 LEU 55 + HD2 ARG 66 OK 90 100 90 100 2.6-5.4 1.8/2072=40, 1673/3.4=34...(35) QD1 ILE 67 + HD2 ARG 66 OK 58 63 95 96 3.2-5.3 11165/2.8=57...(11) HG2 LYS 52 - HD2 ARG 66 far 8 79 10 - 4.9-8.3 QG2 VAL 69 - HD2 ARG 66 far 0 96 0 - 5.3-6.0 QD2 LEU 36 - HD2 ARG 66 far 0 84 0 - 5.4-7.9 QD1 ILE 23 - HD2 ARG 66 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9715 from cnoeabs.peaks (0.42, 2.79, 42.68 ppm; 4.66 A increased from 4.14 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HD2 ARG 66 OK 98 99 100 100 3.2-4.8 9710/2.8=45, 3.1/9714=41...(33) QD1 LEU 70 + HD2 ARG 66 OK 98 100 100 98 3.1-5.2 9718/1.8=46, 8470/2.8=42...(15) Violated in 0 structures by 0.00 A. Peak 9716 from cnoeabs.peaks (0.33, 2.79, 42.68 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.99: QG2 ILE 61 + HD2 ARG 66 OK 99 99 100 100 2.1-4.1 9719/1.8=82, 9713/2.8=79...(19) QD2 LEU 55 - HD2 ARG 66 far 10 100 10 - 4.6-6.5 HB2 LYS 58 - HD2 ARG 66 far 0 90 0 - 7.4-9.9 Violated in 0 structures by 0.00 A. Peak 9717 from cnoeabs.peaks (0.78, 2.90, 42.68 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.98: QD1 ILE 67 + HD3 ARG 66 OK 93 94 100 99 2.8-4.7 11166/2.8=83...(11) HB3 LEU 55 + HD3 ARG 66 OK 63 97 65 100 2.8-5.8 9714/1.8=41, 1.8/2081=35...(35) QG2 VAL 69 - HD3 ARG 66 far 5 100 5 - 5.0-6.0 HG2 LYS 52 - HD3 ARG 66 far 0 99 0 - 5.8-8.5 QD2 LEU 36 - HD3 ARG 66 far 0 100 0 - 5.9-8.3 QD1 ILE 23 - HD3 ARG 66 far 0 79 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 9718 from cnoeabs.peaks (0.43, 2.90, 42.68 ppm; 4.43 A increased from 4.17 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 70 + HD3 ARG 66 OK 97 99 100 98 3.1-4.6 8470/2.8=39, 9712/2.8=37...(16) QD1 LEU 55 + HD3 ARG 66 OK 75 100 75 100 3.0-5.2 9710/2.8=41, 9712/2.8=38...(32) Violated in 0 structures by 0.00 A. Peak 9719 from cnoeabs.peaks (0.33, 2.90, 42.68 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 61 + HD3 ARG 66 OK 100 100 100 100 2.6-4.2 9713/2.8=76, 9716/1.8=75...(16) QD2 LEU 55 - HD3 ARG 66 far 10 100 10 - 4.6-7.0 HB2 LYS 58 - HD3 ARG 66 far 0 94 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 9720 from cnoeabs.peaks (1.91, 2.90, 42.68 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 56 + HD3 ARG 66 OK 99 99 100 100 2.0-4.8 1.8/9522=90, 9524=86...(10) HB2 GLU 56 + HD3 ARG 66 OK 50 100 50 100 4.8-6.1 3.0/9522=73, 3.0/9526=68...(13) HB3 GLU 63 - HD3 ARG 66 far 0 65 0 - 5.6-7.9 Violated in 0 structures by 0.00 A. Peak 9721 from cnoeabs.peaks (2.37, 2.90, 42.68 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.98: HG2 GLU 56 + HD3 ARG 66 OK 98 98 100 100 2.2-4.2 9522=98, 1.8/9524=79...(12) HG2 GLU 54 - HD3 ARG 66 far 0 85 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 9723 from cnoeabs.peaks (2.36, 2.79, 42.68 ppm; 5.09 A): 1 out of 2 assignments used, quality = 0.87: HG2 GLU 56 + HD2 ARG 66 OK 87 87 100 100 1.9-5.0 9522/1.8=84, 1.8/9523=72...(12) HG2 GLU 54 - HD2 ARG 66 far 0 97 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 9724 from cnoeabs.peaks (1.90, 2.79, 42.68 ppm; 4.99 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 56 + HD2 ARG 66 OK 100 100 100 100 1.9-5.4 9523=85, 9524/1.8=83...(10) HB2 GLU 56 + HD2 ARG 66 OK 68 97 70 100 4.6-6.2 3.0/9525=80, 3.0/9723=65...(14) Violated in 1 structures by 0.00 A. Peak 9726 from cnoeabs.peaks (3.55, 2.79, 42.68 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 56 + HD2 ARG 66 OK 100 100 100 100 3.1-4.2 9525=100, 9526/1.8=93...(14) HA ILE 67 - HD2 ARG 66 poor 20 99 20 - 5.2-7.7 HB3 TRP 60 - HD2 ARG 66 far 0 87 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 9727 from cnoeabs.peaks (3.56, 2.90, 42.68 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 56 + HD3 ARG 66 OK 99 99 100 100 3.2-4.5 9526=96, 9525/1.8=95...(14) HA ILE 67 + HD3 ARG 66 OK 59 99 60 100 5.0-6.9 ~6876=48, ~2060=46...(11) Violated in 0 structures by 0.00 A. Peak 9729 from cnoeabs.peaks (6.88, 1.59, 29.68 ppm; 4.92 A): 1 out of 8 assignments used, quality = 0.64: H TRP 60 + HB3 LYS 58 OK 64 64 100 100 3.3-3.5 8413/1.8=99...(6) H ASP 65 - HB2 ARG 66 far 0 100 0 - 6.2-6.4 HZ PHE 104 - HG13 ILE 77 far 0 59 0 - 9.0-9.3 H LEU 17 - HG13 ILE 77 far 0 41 0 - 9.3-9.6 H TRP 60 - HB2 ARG 66 far 0 100 0 - 9.4-10.5 HH2 TRP 80 - HG13 ILE 77 far 0 76 0 - 9.5-10.0 QD PHE 41 - HG13 ILE 77 far 0 70 0 - 9.9-10.4 H ASP 65 - HB3 LYS 58 far 0 64 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9731 from cnoeabs.peaks (7.83, 1.81, 37.34 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: H ARG 66 + HB ILE 67 OK 100 100 100 100 4.4-4.5 6865/6881=95...(11) HD22 ASN 71 + HB ILE 67 OK 63 63 100 100 4.0-4.4 ~8437=86, ~8472=86...(9) Violated in 0 structures by 0.00 A. Peak 9732 from cnoeabs.peaks (8.18, 0.90, 17.00 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: H LEU 70 + QG2 ILE 67 OK 100 100 100 100 4.5-4.8 6938/2109=88...(8) H PHE 10 - QG2 ILE 67 far 0 100 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 9734 from cnoeabs.peaks (7.82, 0.80, 12.36 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.98: H ARG 66 + QD1 ILE 67 OK 98 98 100 100 3.6-4.3 6865/2132=75...(18) HD22 ASN 71 - QD1 ILE 67 far 0 77 0 - 5.1-5.2 HE22 GLN 49 - QD1 ILE 67 far 0 98 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 9735 from cnoeabs.peaks (6.80, 0.80, 12.36 ppm; 5.11 A increased from 4.81 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 71 + QD1 ILE 67 OK 100 100 100 100 4.9-4.9 8437/2135=99, ~8440=68...(9) Violated in 0 structures by 0.00 A. Peak 9737 from cnoeabs.peaks (7.81, 1.60, 28.69 ppm; 4.48 A): 1 out of 7 assignments used, quality = 0.85: H ARG 66 + HG13 ILE 67 OK 85 85 100 100 4.1-4.2 9734/2.1=72...(14) HD22 ASN 71 - HG13 ILE 67 far 0 95 0 - 6.0-6.3 H THR 37 - HD2 LYS 58 far 0 80 0 - 7.2-7.9 HE22 GLN 49 - HB2 GLN 50 far 0 62 0 - 7.7-8.0 H ARG 66 - HD2 LYS 58 far 0 66 0 - 8.9-9.5 H THR 37 - HB2 GLN 50 far 0 78 0 - 9.4-9.9 H GLN 72 - HG13 ILE 67 far 0 59 0 - 9.5-9.5 Violated in 0 structures by 0.00 A. Peak 9741 from cnoeabs.peaks (8.94, 3.56, 64.10 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: H ASN 71 + HA ILE 67 OK 100 100 100 100 3.9-4.2 6955=100, 6959/6938=73...(8) Violated in 0 structures by 0.00 A. Peak 9742 from cnoeabs.peaks (8.94, 0.90, 17.00 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: H ASN 71 + QG2 ILE 67 OK 100 100 100 100 3.8-4.0 9851=98, 6955/2109=60...(10) Violated in 0 structures by 0.00 A. Peak 9744 from cnoeabs.peaks (3.00, 1.81, 37.34 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 68 + HB ILE 67 OK 99 99 100 100 4.2-4.3 3.8/6895=76...(8) HB2 ASN 68 + HB ILE 67 OK 99 99 100 99 4.7-4.9 3.8/6895=76, ~8436=49...(8) Violated in 0 structures by 0.00 A. Peak 9745 from cnoeabs.peaks (2.17, 1.81, 37.34 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 63 + HB ILE 67 OK 100 100 100 100 3.6-3.7 8399=99, 8394/2.1=87...(25) HG3 GLU 63 + HB ILE 67 OK 100 100 100 100 4.7-5.3 1.8/8399=97, ~8394=64...(23) Violated in 0 structures by 0.00 A. Peak 9746 from cnoeabs.peaks (3.12, 0.90, 17.00 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.98: HB3 ASN 71 + QG2 ILE 67 OK 98 99 100 100 3.6-4.7 9856=85, 3.5/8437=80...(10) HA LYS 52 - QG2 ILE 67 far 0 77 0 - 7.9-8.5 Violated in 2 structures by 0.01 A. Peak 9747 from cnoeabs.peaks (2.17, 0.90, 17.00 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 63 + QG2 ILE 67 OK 100 100 100 100 3.9-4.0 8394=98, 8399/2.1=84...(24) HG3 GLU 63 + QG2 ILE 67 OK 70 100 70 100 4.6-5.1 1.8/8394=77, ~8399=58...(23) Violated in 0 structures by 0.00 A. Peak 9748 from cnoeabs.peaks (2.17, 1.25, 28.69 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 63 + HG12 ILE 67 OK 100 100 100 100 2.4-2.6 8399/3.0=56, 8397=49...(24) HG3 GLU 63 + HG12 ILE 67 OK 100 100 100 100 3.0-3.7 8397=49, 8398/1.8=41...(25) Violated in 0 structures by 0.00 A. Peak 9749 from cnoeabs.peaks (2.17, 1.60, 28.69 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: HG2 GLU 63 + HG13 ILE 67 OK 100 100 100 100 1.9-2.1 8399/3.0=51, 8398=50...(23) HG3 GLU 63 + HG13 ILE 67 OK 100 100 100 100 2.4-3.7 8398=50, 4.1/1963=39...(23) HB3 GLU 54 - HB2 GLN 50 far 0 59 0 - 5.0-5.7 HB3 GLU 54 - HD2 LYS 58 far 0 61 0 - 5.9-7.6 HG3 GLN 27 - HD2 LYS 58 far 0 79 0 - 7.0-9.3 HG2 GLU 110 - HD2 LYS 31 far 0 83 0 - 7.5-33.0 HG2 GLU 110 - HD3 LYS 31 far 0 83 0 - 9.1-32.3 HG2 GLU 110 - HB2 GLN 50 far 0 81 0 - 9.3-25.0 Violated in 0 structures by 0.00 A. Peak 9750 from cnoeabs.peaks (3.67, 0.80, 12.36 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 63 + QD1 ILE 67 OK 100 100 100 100 3.2-3.7 1963/2.1=80, 9663=46...(18) Violated in 0 structures by 0.00 A. Peak 9753 from cnoeabs.peaks (0.43, 0.90, 17.00 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 70 + QG2 ILE 67 OK 99 99 100 100 4.0-4.2 9827/2109=81...(16) QD1 LEU 55 - QG2 ILE 67 far 0 100 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 9754 from cnoeabs.peaks (0.42, 1.25, 28.69 ppm; 5.26 A increased from 4.43 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + HG12 ILE 67 OK 100 100 100 100 5.0-5.2 8429/2.1=100...(10) QD1 LEU 55 - HG12 ILE 67 far 0 96 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 9755 from cnoeabs.peaks (0.41, 1.60, 28.69 ppm; 4.94 A increased from 4.65 A): 1 out of 6 assignments used, quality = 0.97: QD1 LEU 70 + HG13 ILE 67 OK 97 97 100 100 4.6-5.0 8429/2.1=98...(11) QD1 LEU 55 - HD2 LYS 58 poor 14 69 20 - 5.2-6.0 QD1 LEU 55 - HG13 ILE 67 far 0 88 0 - 6.3-6.6 QD1 LEU 70 - HD2 LYS 58 far 0 78 0 - 8.4-9.6 QD1 LEU 55 - HB2 GLN 50 far 0 66 0 - 8.6-9.1 QD1 LEU 70 - HB2 GLN 50 far 0 76 0 - 8.9-9.1 Violated in 1 structures by 0.00 A. Peak 9756 from cnoeabs.peaks (1.93, 1.25, 28.69 ppm; 5.12 A increased from 4.56 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLU 63 + HG12 ILE 67 OK 99 99 100 100 4.8-4.9 ~1963=69, ~10469=61...(21) HB3 LEU 70 - HG12 ILE 67 far 0 96 0 - 6.0-6.1 HG3 GLU 56 - HG12 ILE 67 far 0 68 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 9757 from cnoeabs.peaks (1.37, 1.81, 37.34 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 64 + HB ILE 67 OK 100 100 100 100 3.7-3.8 8406=94, 2.1/1998=89...(17) HB3 LYS 52 - HB ILE 67 far 0 87 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 9758 from cnoeabs.peaks (1.42, 3.56, 64.10 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 70 + HA ILE 67 OK 100 100 100 100 4.1-4.4 2.1/8426=90, 2.9/2098=75...(8) HB3 LYS 52 - HA ILE 67 far 0 81 0 - 5.9-8.8 Violated in 2 structures by 0.00 A. Peak 9763 from cnoeabs.peaks (0.90, 4.51, 56.73 ppm; 3.42 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 67 + HA ASN 68 OK 100 100 100 100 3.3-3.5 8436=70, 6896/3.0=54...(20) QG1 VAL 69 + HA ASP 65 OK 25 39 100 64 3.5-3.7 9801=27, 2188/6920=17...(9) QG1 VAL 69 - HA ASN 68 far 0 100 0 - 5.0-5.0 QG2 ILE 67 - HA ASP 65 far 0 40 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 9764 from cnoeabs.peaks (0.80, 4.51, 56.73 ppm; 4.71 A increased from 4.43 A): 2 out of 10 assignments used, quality = 0.90: QG2 VAL 69 + HA ASN 68 OK 87 87 100 100 4.9-5.0 2182/3.6=70, 8444/3.0=67...(12) QG2 VAL 69 + HA ASP 65 OK 26 30 100 87 4.3-4.6 2.1/9801=38, 9800=28...(11) QD1 ILE 67 - HA ASN 68 far 0 100 0 - 5.7-5.7 QD1 ILE 67 - HA ASP 65 far 0 40 0 - 6.3-6.7 QD2 LEU 36 - HA ASP 65 far 0 37 0 - 6.4-6.7 HB3 LEU 55 - HA ASP 65 far 0 22 0 - 6.9-7.4 QG2 VAL 102 - HA ASN 68 far 0 65 0 - 7.7-8.0 QG2 VAL 6 - HA ASP 65 far 0 21 0 - 8.1-10.4 QG2 ILE 28 - HA ASP 65 far 0 32 0 - 8.2-8.4 HG2 LYS 52 - HA ASN 68 far 0 99 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 9768 from cnoeabs.peaks (1.81, 3.00, 38.47 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: HB ILE 67 + HB3 ASN 68 OK 100 100 100 100 4.2-4.3 6895/3.8=78...(8) HB ILE 67 + HB2 ASN 68 OK 99 100 100 99 4.7-4.9 6895/3.8=78, ~8436=51...(8) Violated in 0 structures by 0.00 A. Peak 9776 from cnoeabs.peaks (3.86, 3.00, 38.47 ppm; 5.02 A increased from 4.72 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 69 + HB3 ASN 68 OK 100 100 100 100 4.9-4.9 3.0/6927=97...(8) HA VAL 69 + HB2 ASN 68 OK 100 100 100 100 5.4-5.4 ~6927=72, ~6926=72...(12) Violated in 0 structures by 0.00 A. Peak 9779 from cnoeabs.peaks (6.92, 3.00, 38.47 ppm; 5.12 A increased from 4.55 A): 1 out of 2 assignments used, quality = 0.46: H ASP 65 + HB3 ASN 68 OK 46 65 100 70 4.9-5.0 3.0/2010=48, 6849/8442=42 H ASP 65 - HB2 ASN 68 far 0 65 0 - 6.3-6.4 Violated in 0 structures by 0.00 A. Peak 9783 from cnoeabs.peaks (7.81, 3.00, 38.47 ppm; 4.47 A increased from 3.97 A): 1 out of 4 assignments used, quality = 0.82: HD22 ASN 71 + HB2 ASN 68 OK 82 87 100 95 4.3-4.4 9849/3.0=58, ~9848=46...(7) HD22 ASN 71 - HB3 ASN 68 far 9 87 10 - 5.1-5.2 H ARG 66 - HB3 ASN 68 far 5 94 5 - 5.1-5.2 H ARG 66 - HB2 ASN 68 far 0 94 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 9786 from cnoeabs.peaks (8.17, 3.00, 38.47 ppm; 5.15 A increased from 4.58 A): 1 out of 4 assignments used, quality = 1.00: H LEU 70 + HB3 ASN 68 OK 100 100 100 100 5.0-5.1 6941/6927=96, 9824=82...(9) H LEU 70 - HB2 ASN 68 far 0 100 0 - 5.8-5.9 H PHE 10 - HB3 ASN 68 far 0 100 0 - 6.5-6.9 H PHE 10 - HB2 ASN 68 far 0 100 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 9789 from cnoeabs.peaks (8.39, 3.86, 65.82 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.99: H ALA 73 + HA VAL 69 OK 99 99 100 100 4.3-4.4 7022=96, 7003/6987=74...(11) H VAL 103 - HA VAL 69 far 0 96 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 9790 from cnoeabs.peaks (8.94, 3.86, 65.82 ppm; 5.18 A): 1 out of 3 assignments used, quality = 1.00: H ASN 71 + HA VAL 69 OK 100 100 100 100 4.2-4.4 6959/3.6=89...(6) H ILE 11 - HA VAL 69 far 0 81 0 - 5.9-6.1 H ALA 24 - HA VAL 69 far 0 92 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 9791 from cnoeabs.peaks (7.06, 3.86, 65.82 ppm; 4.14 A): 2 out of 5 assignments used, quality = 1.00: HE22 GLN 72 + HA VAL 69 OK 100 100 100 100 3.5-3.6 9876=100, 1.7/9874=70...(11) HD21 ASN 68 + HA VAL 69 OK 99 100 100 100 3.2-3.3 8447/2189=57...(13) QD PHE 10 - HA VAL 69 far 0 93 0 - 7.1-7.4 QE PHE 40 - HA VAL 69 far 0 100 0 - 9.3-10.7 QE PHE 99 - HA VAL 69 far 0 98 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 9793 from cnoeabs.peaks (7.05, 0.78, 22.09 ppm; 4.72 A increased from 3.78 A): 2 out of 6 assignments used, quality = 1.00: HD21 ASN 68 + QG2 VAL 69 OK 100 100 100 100 4.4-4.6 9772=92, 8447/2.1=82...(16) QD PHE 10 + QG2 VAL 69 OK 98 99 100 100 4.3-4.7 2.5/9806=80, ~8452=64...(15) HE22 GLN 72 - QG2 VAL 69 far 0 100 0 - 5.8-5.9 QE PHE 40 - QG2 VAL 69 far 0 98 0 - 6.1-7.1 HZ PHE 40 - QG2 VAL 69 far 0 65 0 - 7.4-9.0 HH2 TRP 48 - QG2 VAL 69 far 0 88 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 9796 from cnoeabs.peaks (8.96, 0.89, 22.09 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.95: H ILE 11 + QG1 VAL 69 OK 95 99 100 96 3.0-3.2 6083/8452=53...(9) H ASP 26 - QG1 VAL 69 far 0 57 0 - 4.5-4.6 H ASN 71 - QG1 VAL 69 far 0 92 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 9798 from cnoeabs.peaks (6.96, 0.89, 22.09 ppm; 4.27 A increased from 3.79 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 72 + QG1 VAL 69 OK 100 100 100 100 4.1-4.1 9869=93, 9874/2189=61...(8) H ILE 61 - QG1 VAL 69 far 0 96 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 9799 from cnoeabs.peaks (3.94, 0.78, 22.09 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 70 + QG2 VAL 69 OK 100 100 100 100 3.2-3.2 9821=77, 3.0/6944=63...(19) Violated in 0 structures by 0.00 A. Peak 9800 from cnoeabs.peaks (4.55, 0.78, 22.09 ppm; 4.79 A increased from 4.51 A): 2 out of 4 assignments used, quality = 0.97: HA ASP 65 + QG2 VAL 69 OK 96 100 100 96 4.3-4.6 9801/2.1=50...(11) HA ILE 11 + QG2 VAL 69 OK 41 95 50 87 5.3-5.5 ~9796=54, 8758/10842=46...(5) HB THR 37 - QG2 VAL 69 far 0 59 0 - 7.5-7.8 HA TYR 39 - QG2 VAL 69 far 0 79 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 9801 from cnoeabs.peaks (4.54, 0.89, 22.09 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.97: HA ASP 65 + QG1 VAL 69 OK 90 100 100 91 3.5-3.7 6920/2188=37...(10) HA ILE 11 + QG1 VAL 69 OK 67 79 100 85 2.6-2.7 3.0/9796=62...(5) HA ASN 68 - QG1 VAL 69 far 0 73 0 - 5.0-5.0 Violated in 0 structures by 0.00 A. Peak 9802 from cnoeabs.peaks (5.31, 0.78, 22.09 ppm; 6.00 A increased from 4.91 A): 1 out of 2 assignments used, quality = 0.97: HA PHE 10 + QG2 VAL 69 OK 97 97 100 100 6.0-6.2 8715/2.1=97, 3.0/9806=95...(9) HA ASP 26 - QG2 VAL 69 far 0 100 0 - 7.2-7.5 Violated in 15 structures by 0.05 A. Peak 9803 from cnoeabs.peaks (5.32, 0.89, 22.09 ppm; 4.34 A increased from 3.65 A): 1 out of 2 assignments used, quality = 1.00: HA PHE 10 + QG1 VAL 69 OK 100 100 100 100 4.1-4.3 8715=98, 3.0/8452=80...(13) HA ASP 26 - QG1 VAL 69 far 0 99 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 9804 from cnoeabs.peaks (2.99, 0.89, 22.09 ppm; 3.81 A increased from 3.59 A): 1 out of 4 assignments used, quality = 0.98: HB3 ASN 68 + QG1 VAL 69 OK 98 98 100 100 3.6-3.7 8443=94, 6927/2188=75...(11) HB2 ASN 68 - QG1 VAL 69 far 0 98 0 - 4.8-4.8 HE3 LYS 58 - QG1 VAL 69 far 0 98 0 - 8.1-8.9 HB2 PHE 99 - QG1 VAL 69 far 0 79 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9805 from cnoeabs.peaks (3.00, 0.78, 22.09 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASN 68 + QG2 VAL 69 OK 100 100 100 100 4.3-4.4 8444=98, 8443/2.1=88...(13) HB2 ASN 68 - QG2 VAL 69 far 0 100 0 - 5.5-5.6 HE3 LYS 58 - QG2 VAL 69 far 0 100 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 9806 from cnoeabs.peaks (2.81, 0.78, 22.09 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.99: HB2 PHE 10 + QG2 VAL 69 OK 99 99 100 100 4.0-4.2 8453/2.1=89, ~8452=64...(16) HD2 ARG 66 - QG2 VAL 69 far 0 95 0 - 5.3-6.0 HE3 LYS 52 - QG2 VAL 69 far 0 99 0 - 6.3-8.4 HB2 TRP 48 - QG2 VAL 69 far 0 81 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 9807 from cnoeabs.peaks (2.65, 0.78, 22.09 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: HB3 PHE 10 + QG2 VAL 69 OK 99 99 100 100 3.9-4.2 8452/2.1=91, 1.8/9806=77...(15) HG3 GLN 72 + QG2 VAL 69 OK 93 95 100 98 4.5-4.6 9873/3.2=58, ~2174=44...(8) HB3 ASP 65 - QG2 VAL 69 far 0 100 0 - 5.1-5.6 HB2 PHE 40 - QG2 VAL 69 far 0 98 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 9809 from cnoeabs.peaks (3.00, 3.86, 65.82 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASN 68 + HA VAL 69 OK 99 99 100 100 4.9-4.9 6926/3.0=96...(8) HB2 ASN 68 + HA VAL 69 OK 99 99 100 100 5.4-5.4 ~6927=72, ~6926=72...(12) HB2 PHE 99 - HA VAL 69 far 0 85 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 9811 from cnoeabs.peaks (0.62, 3.86, 65.82 ppm; 5.82 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 12 + HA VAL 69 OK 100 100 100 100 4.0-4.4 8488/9789=87...(17) QD1 ILE 77 - HA VAL 69 far 0 61 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 9813 from cnoeabs.peaks (1.42, 0.78, 22.09 ppm; 4.49 A): 1 out of 7 assignments used, quality = 1.00: HG LEU 70 + QG2 VAL 69 OK 100 100 100 100 2.0-2.2 11285=100, 2.1/8577=88...(14) HB3 LYS 52 - QG2 VAL 69 far 12 81 15 - 5.0-7.2 HB2 LEU 36 - QG2 VAL 69 far 0 68 0 - 6.9-7.1 HG13 ILE 11 - QG2 VAL 69 far 0 100 0 - 7.1-8.2 QB ALA 47 - QG2 VAL 69 far 0 100 0 - 7.9-8.3 QB ALA 57 - QG2 VAL 69 far 0 94 0 - 8.5-8.6 HB ILE 77 - QG2 VAL 69 far 0 61 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 9814 from cnoeabs.peaks (1.88, 0.89, 22.09 ppm; 4.41 A increased from 3.72 A): 1 out of 4 assignments used, quality = 0.98: HB3 LEU 12 + QG1 VAL 69 OK 98 99 100 100 4.0-4.3 1.8/10839=93, 10840=60...(12) HB VAL 103 - QG1 VAL 69 far 0 100 0 - 7.4-9.4 HG3 GLU 56 - QG1 VAL 69 far 0 90 0 - 8.4-9.5 HB VAL 76 - QG1 VAL 69 far 0 81 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 9819 from cnoeabs.peaks (-0.14, 1.97, 31.29 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HB VAL 69 OK 100 100 100 100 4.9-5.0 8577/2.1=99, ~11285=89...(13) Violated in 0 structures by 0.00 A. Peak 9820 from cnoeabs.peaks (-0.14, 0.89, 22.09 ppm; 5.79 A increased from 5.15 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + QG1 VAL 69 OK 100 100 100 100 5.4-5.5 8577/2.1=100, ~11285=95...(11) Violated in 0 structures by 0.00 A. Peak 9821 from cnoeabs.peaks (0.78, 3.95, 57.67 ppm; 4.08 A): 1 out of 8 assignments used, quality = 1.00: QG2 VAL 69 + HA LEU 70 OK 100 100 100 100 3.2-3.2 9799=100, 6944/3.0=73...(19) QD1 ILE 23 - HA LEU 70 far 8 81 10 - 4.6-4.8 HG2 LYS 52 - HA LEU 70 far 0 99 0 - 5.3-7.8 QD1 ILE 67 - HA LEU 70 far 0 93 0 - 6.1-6.2 QG2 ILE 23 - HA LEU 70 far 0 91 0 - 6.5-6.6 QD2 LEU 36 - HA LEU 70 far 0 99 0 - 8.6-8.9 HB3 LEU 55 - HA LEU 70 far 0 98 0 - 8.8-9.2 QD1 ILE 11 - HA LEU 70 far 0 96 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 9822 from cnoeabs.peaks (0.89, 3.95, 57.67 ppm; 4.95 A increased from 4.40 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 69 + HA LEU 70 OK 100 100 100 100 5.4-5.4 2.1/9799=96, 6945/3.0=85...(9) QD1 LEU 51 + HA LEU 70 OK 73 73 100 100 4.7-4.9 2.1/8466=93...(5) QG2 ILE 67 - HA LEU 70 far 0 99 0 - 6.1-6.3 QG2 ILE 11 - HA LEU 70 far 0 61 0 - 8.9-9.0 QG2 VAL 103 - HA LEU 70 far 0 100 0 - 9.7-11.0 QG1 VAL 103 - HA LEU 70 far 0 94 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 9823 from cnoeabs.peaks (0.77, -0.14, 20.06 ppm; 3.35 A): 3 out of 8 assignments used, quality = 1.00: QG2 VAL 69 + QD2 LEU 70 OK 100 100 100 100 3.2-3.3 11285/2.1=77, 8577=71...(21) HG2 LYS 52 + QD2 LEU 70 OK 93 93 100 100 1.8-3.9 10432/2.1=42...(27) QD1 ILE 23 + QD2 LEU 70 OK 76 92 85 98 3.7-4.0 8144/9410=59, 8935=45...(13) QD1 ILE 67 - QD2 LEU 70 far 0 82 0 - 4.8-4.9 QG2 ILE 23 - QD2 LEU 70 far 0 79 0 - 5.9-6.1 HB3 LEU 55 - QD2 LEU 70 far 0 100 0 - 6.0-6.6 QD2 LEU 36 - QD2 LEU 70 far 0 96 0 - 6.8-7.1 QD1 ILE 11 - QD2 LEU 70 far 0 99 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 9826 from cnoeabs.peaks (3.45, -0.14, 20.06 ppm; 4.52 A increased from 4.26 A): 3 out of 3 assignments used, quality = 1.00: HA GLN 49 + QD2 LEU 70 OK 97 99 100 97 4.1-4.4 9421/9413=46...(10) HA LEU 51 + QD2 LEU 70 OK 88 88 100 100 4.4-4.7 3.9/9410=73, 3.6/8327=72...(9) HA ARG 66 + QD2 LEU 70 OK 58 99 60 98 4.7-5.1 8455/8577=67...(13) Violated in 0 structures by 0.00 A. Peak 9827 from cnoeabs.peaks (3.56, 0.42, 25.38 ppm; 3.55 A): 1 out of 8 assignments used, quality = 1.00: HA ILE 67 + QD1 LEU 70 OK 100 100 100 100 2.3-2.6 8426=99, 2133/8429=54...(13) HA ILE 67 - QD1 LEU 55 far 0 84 0 - 5.3-5.7 HA TRP 48 - QD1 LEU 70 far 0 87 0 - 5.5-6.1 HA GLU 56 - QD1 LEU 55 far 0 81 0 - 5.6-5.7 HA GLU 56 - QD1 LEU 70 far 0 98 0 - 6.0-6.4 HA TRP 48 - QD1 LEU 55 far 0 68 0 - 7.1-7.4 HA THR 74 - QD1 LEU 70 far 0 98 0 - 7.7-8.0 HB3 TRP 60 - QD1 LEU 55 far 0 74 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 9831 from cnoeabs.peaks (9.51, 3.95, 57.67 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + HA LEU 70 OK 100 100 100 100 2.6-2.7 9341=98, 9344/2.9=72...(20) Violated in 0 structures by 0.00 A. Peak 9833 from cnoeabs.peaks (7.31, 3.95, 57.67 ppm; 4.97 A increased from 4.68 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 48 + HA LEU 70 OK 100 100 100 100 4.7-4.9 2.8/9341=89...(13) Violated in 0 structures by 0.00 A. Peak 9834 from cnoeabs.peaks (7.32, 1.61, 40.19 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 48 + HB2 LEU 70 OK 100 100 100 100 2.3-2.6 9332=100, 2.8/9344=78...(21) Violated in 0 structures by 0.00 A. Peak 9835 from cnoeabs.peaks (9.50, 1.61, 40.19 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + HB2 LEU 70 OK 100 100 100 100 1.9-2.0 9344=99, 9343/1.8=91...(24) Violated in 0 structures by 0.00 A. Peak 9836 from cnoeabs.peaks (9.50, 1.95, 40.19 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.99: HE1 TRP 48 + HB3 LEU 70 OK 99 99 100 100 3.4-3.5 9343=98, 9344/1.8=94...(28) Violated in 0 structures by 0.00 A. Peak 9837 from cnoeabs.peaks (7.32, 1.95, 40.19 ppm; 4.42 A): 1 out of 5 assignments used, quality = 1.00: HZ2 TRP 48 + HB3 LEU 70 OK 100 100 100 100 3.3-3.8 9332/1.8=85, 2.8/9343=77...(21) QE PHE 79 - HB ILE 90 far 0 47 0 - 5.2-6.4 HH2 TRP 16 - HB ILE 90 far 0 23 0 - 6.2-7.6 QE PHE 104 - HB ILE 90 far 0 49 0 - 7.9-9.2 QD PHE 99 - HB ILE 90 far 0 44 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 9838 from cnoeabs.peaks (8.09, -0.14, 20.06 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: H LYS 52 + QD2 LEU 70 OK 100 100 100 100 2.2-2.9 8327=100, 3.0/8464=63...(25) Violated in 0 structures by 0.00 A. Peak 9839 from cnoeabs.peaks (7.70, -0.14, 20.06 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: H LEU 51 + QD2 LEU 70 OK 100 100 100 100 4.1-4.3 6631/8327=73...(15) H VAL 69 - QD2 LEU 70 far 0 98 0 - 5.9-6.0 Violated in 0 structures by 0.00 A. Peak 9840 from cnoeabs.peaks (7.31, -0.14, 20.06 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: HZ2 TRP 48 + QD2 LEU 70 OK 100 100 100 100 3.3-3.5 10480/2.1=75...(24) HE22 GLN 50 - QD2 LEU 70 far 0 61 0 - 8.8-10.0 HZ3 TRP 42 - QD2 LEU 70 far 0 88 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 9841 from cnoeabs.peaks (7.08, -0.14, 20.06 ppm; 4.79 A): 1 out of 5 assignments used, quality = 0.99: HH2 TRP 48 + QD2 LEU 70 OK 99 99 100 100 4.2-4.6 2.5/9840=86, 9331/2.1=69...(19) QE PHE 40 - QD2 LEU 70 far 5 93 5 - 5.2-6.1 HZ PHE 40 - QD2 LEU 70 far 0 100 0 - 6.5-7.7 HE22 GLN 72 - QD2 LEU 70 far 0 87 0 - 7.8-8.1 HD21 ASN 68 - QD2 LEU 70 far 0 77 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 9842 from cnoeabs.peaks (6.71, -0.14, 20.06 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.99: HD1 TRP 48 + QD2 LEU 70 OK 99 99 100 100 3.0-3.3 2.6/9350=84, 9329=67...(20) HE21 GLN 49 - QD2 LEU 70 far 0 65 0 - 5.2-6.0 HD22 ASN 78 - QD2 LEU 70 far 0 71 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 9843 from cnoeabs.peaks (8.39, -0.14, 20.06 ppm; 5.12 A increased from 4.10 A): 3 out of 3 assignments used, quality = 1.00: H ASP 53 + QD2 LEU 70 OK 99 99 100 100 4.3-5.1 6660/8327=87...(12) H ALA 73 + QD2 LEU 70 OK 98 98 100 100 4.9-5.1 2.9/8496=91...(10) H TRP 48 + QD2 LEU 70 OK 85 91 95 99 5.3-5.8 3.0/8463=84...(7) Violated in 0 structures by 0.00 A. Peak 9845 from cnoeabs.peaks (9.50, -0.14, 20.06 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + QD2 LEU 70 OK 100 100 100 100 2.7-2.9 9350=100, 9344/3.1=61...(29) Violated in 0 structures by 0.00 A. Peak 9846 from cnoeabs.peaks (9.50, 0.42, 25.38 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: HE1 TRP 48 + QD1 LEU 70 OK 100 100 100 100 4.0-4.2 9350/2.1=94, 9344/3.1=80...(25) HE1 TRP 48 - QD1 LEU 55 far 0 85 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 9853 from cnoeabs.peaks (2.61, 4.59, 55.63 ppm; 5.18 A increased from 4.60 A): 2 out of 2 assignments used, quality = 0.98: HG3 GLN 72 + HA ASN 71 OK 92 93 100 99 5.1-5.1 7000/3.6=85, 9850/2.9=68...(4) HG3 GLU 75 + HA ASN 71 OK 78 84 100 93 4.9-5.4 9948/9854=60...(4) Violated in 0 structures by 0.00 A. Peak 9854 from cnoeabs.peaks (0.96, 4.59, 55.63 ppm; 3.89 A increased from 3.66 A): 1 out of 4 assignments used, quality = 0.97: QG2 THR 74 + HA ASN 71 OK 97 100 100 97 3.7-3.9 2.1/2254=82...(7) HG3 LYS 52 - HA ASN 71 far 0 92 0 - 8.2-11.2 QG1 VAL 76 - HA ASN 71 far 0 93 0 - 9.2-9.4 QG1 VAL 25 - HA ASN 71 far 0 96 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 9855 from cnoeabs.peaks (0.90, 2.94, 37.10 ppm; 4.80 A increased from 4.52 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 67 + HB2 ASN 71 OK 100 100 100 100 3.7-4.7 8437/3.5=85, 9746/1.8=84...(8) QG1 VAL 69 - HB2 ASN 71 far 0 100 0 - 6.1-7.4 Violated in 0 structures by 0.00 A. Peak 9856 from cnoeabs.peaks (0.90, 3.11, 37.10 ppm; 4.81 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 67 + HB3 ASN 71 OK 100 100 100 100 3.6-4.7 9746=98, 8437/3.5=85...(10) QG1 VAL 69 - HB3 ASN 71 far 0 99 0 - 6.0-7.3 HG3 LYS 52 - HB3 ASN 71 far 0 63 0 - 9.2-13.2 QG1 VAL 76 - HB3 ASN 71 far 0 61 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 9861 from cnoeabs.peaks (0.84, 4.18, 58.89 ppm; 4.56 A): 1 out of 7 assignments used, quality = 0.99: QG2 VAL 102 + HA GLN 72 OK 99 100 100 99 3.6-4.0 10212/9878=68...(11) QD1 LEU 12 - HA GLN 72 far 0 100 0 - 5.3-5.7 QG2 VAL 25 - HA GLN 72 far 0 100 0 - 7.5-7.8 QG2 ILE 11 - HA GLN 72 far 0 100 0 - 8.2-8.4 HD2 LYS 98 - HA GLN 72 far 0 88 0 - 8.5-10.0 QD1 LEU 51 - HA GLN 72 far 0 98 0 - 9.3-9.6 QG1 VAL 103 - HA GLN 72 far 0 82 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9862 from cnoeabs.peaks (0.83, 1.99, 29.27 ppm; 3.77 A): 3 out of 17 assignments used, quality = 0.98: QG2 VAL 102 + HB2 GLN 72 OK 93 99 100 94 1.9-2.2 10212/8075=60...(8) QD1 LEU 51 + HB2 GLU 54 OK 45 47 100 96 3.3-3.8 10683/1.8=64...(11) QD1 LEU 12 + HB2 GLN 72 OK 43 95 45 100 4.3-4.6 2.1/8075=76, 8775/3.0=53...(20) QD2 LEU 36 - HB2 GLU 54 far 2 33 5 - 4.3-4.9 QG2 VAL 25 - HB2 GLU 54 far 0 58 0 - 5.8-6.1 QG2 ILE 11 - HB2 GLN 72 far 0 90 0 - 6.2-6.4 QG2 VAL 25 - HB2 GLN 72 far 0 94 0 - 6.4-6.6 HD2 LYS 98 - HB2 GLU 94 far 0 56 0 - 6.8-8.5 QG2 ILE 23 - HB2 GLN 72 far 0 84 0 - 7.1-7.3 HG2 LYS 52 - HB2 GLU 54 far 0 37 0 - 7.6-8.1 QD1 LEU 12 - HB2 GLU 54 far 0 59 0 - 8.1-8.5 HD2 LYS 98 - HG13 ILE 90 far 0 31 0 - 8.2-11.2 QD1 LEU 51 - HB2 GLN 72 far 0 81 0 - 8.4-8.8 HD2 LYS 98 - HB2 GLN 72 far 0 61 0 - 8.7-10.2 QD2 LEU 17 - HG13 ILE 90 far 0 56 0 - 9.8-11.4 QD1 ILE 67 - HB2 GLU 54 far 0 47 0 - 9.9-10.1 HB2 LYS 84 - HG13 ILE 90 far 0 59 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 9863 from cnoeabs.peaks (0.85, 2.28, 29.27 ppm; 3.92 A): 2 out of 14 assignments used, quality = 0.99: QG2 VAL 102 + HB3 GLN 72 OK 97 99 100 98 3.2-3.5 10212/8476=54...(13) QG2 VAL 102 + HB2 GLU 75 OK 68 85 100 80 4.0-4.3 10211/10501=60...(7) QD1 LEU 12 - HB3 GLN 72 far 0 100 0 - 5.1-5.5 QG2 VAL 102 - HB3 GLU 75 far 0 86 0 - 5.2-5.5 HD2 LYS 98 - HB3 GLU 75 far 0 77 0 - 5.5-7.3 HD2 LYS 98 - HB2 GLU 75 far 0 77 0 - 5.8-8.0 QG2 ILE 11 - HB3 GLN 72 far 0 100 0 - 6.4-6.6 QD1 LEU 12 - HB2 GLU 75 far 0 88 0 - 6.5-7.0 QG2 VAL 25 - HB3 GLN 72 far 0 100 0 - 6.8-7.0 QD1 LEU 12 - HB3 GLU 75 far 0 88 0 - 8.0-8.4 QG1 VAL 103 - HB3 GLN 72 far 0 88 0 - 8.1-9.8 QD1 LEU 51 - HB3 GLN 72 far 0 99 0 - 8.8-9.1 QG2 VAL 25 - HB2 GLU 75 far 0 88 0 - 9.3-9.7 HD2 LYS 98 - HB3 GLN 72 far 0 93 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 9867 from cnoeabs.peaks (0.85, 2.29, 34.45 ppm; 4.11 A): 3 out of 12 assignments used, quality = 1.00: QD1 LEU 12 + HG2 GLN 72 OK 100 100 100 100 2.6-2.9 8775=98, 2.1/9880=74...(24) QG2 VAL 102 + HG2 GLN 72 OK 97 99 100 97 3.0-3.3 10212/9880=59...(10) QG2 VAL 25 + HG2 GLN 72 OK 33 100 95 35 4.5-4.7 10921/2174=21...(4) QG1 VAL 103 - HG2 GLN 96 far 0 56 0 - 5.3-6.8 QG2 ILE 11 - HG2 GLN 72 far 0 100 0 - 5.4-5.7 QD1 LEU 109 - HG2 GLN 96 far 0 69 0 - 6.4-15.7 QD1 LEU 51 - HG2 GLN 72 far 0 99 0 - 6.6-6.9 QG1 VAL 103 - HG2 GLN 72 far 0 88 0 - 6.6-8.6 QG2 VAL 102 - HG2 GLN 96 far 0 68 0 - 7.2-7.7 HB2 LYS 84 - HG2 GLN 86 far 0 72 0 - 8.3-8.8 QG2 ILE 11 - HG2 GLN 96 far 0 70 0 - 8.7-9.5 HD2 LYS 98 - HG2 GLN 96 far 0 60 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 9868 from cnoeabs.peaks (0.84, 2.63, 34.45 ppm; 4.20 A): 2 out of 6 assignments used, quality = 1.00: QD1 LEU 12 + HG3 GLN 72 OK 100 100 100 100 3.3-3.9 8775/1.8=85, 2.1/9881=73...(22) QG2 VAL 102 + HG3 GLN 72 OK 96 100 100 97 4.1-4.4 10212/9881=58...(7) QG2 VAL 25 - HG3 GLN 72 far 0 100 0 - 4.9-5.1 QG2 ILE 11 - HG3 GLN 72 far 0 100 0 - 6.3-6.5 QD1 LEU 51 - HG3 GLN 72 far 0 98 0 - 6.7-7.0 QG1 VAL 103 - HG3 GLN 72 far 0 82 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 9871 from cnoeabs.peaks (3.85, 4.18, 58.89 ppm; 4.87 A increased from 4.58 A): 1 out of 2 assignments used, quality = 0.63: HA ALA 73 + HA GLN 72 OK 63 63 100 100 4.8-4.8 3.6/7042=64, ~9857=51...(18) HA VAL 69 - HA GLN 72 far 0 97 0 - 5.8-5.9 Violated in 0 structures by 0.00 A. Peak 9872 from cnoeabs.peaks (3.86, 2.29, 34.45 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: HA VAL 69 + HG2 GLN 72 OK 100 100 100 100 2.9-3.1 2174=95, 9873/1.8=82...(11) HA GLU 94 - HG2 GLN 96 far 0 63 0 - 6.7-7.6 HA GLN 81 - HG2 GLN 86 far 0 74 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 9873 from cnoeabs.peaks (3.86, 2.63, 34.45 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 69 + HG3 GLN 72 OK 100 100 100 100 2.3-2.5 2174/1.8=88, 8456=72...(12) Violated in 0 structures by 0.00 A. Peak 9878 from cnoeabs.peaks (0.63, 4.18, 58.89 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 12 + HA GLN 72 OK 100 100 100 100 4.0-4.2 8075/3.0=76, 8780=66...(19) Violated in 0 structures by 0.00 A. Peak 9879 from cnoeabs.peaks (0.63, 1.99, 29.27 ppm; 3.44 A): 4 out of 5 assignments used, quality = 1.00: QD2 LEU 12 + HB2 GLN 72 OK 100 100 100 100 2.4-2.6 8075=99, 8476/1.8=51...(21) QD1 ILE 90 + HB2 GLU 94 OK 72 76 100 96 1.9-3.2 3572=26, 11184/4.2=20...(28) QD1 ILE 90 + HG13 ILE 90 OK 44 44 100 100 2.1-2.1 2.1=100 QD1 LEU 83 + HG13 ILE 90 OK 28 38 100 73 2.2-3.7 10569/3.2=34, ~10570=26...(7) QD1 LEU 83 - HB2 GLU 94 far 0 67 0 - 5.0-6.7 Violated in 0 structures by 0.00 A. Peak 9880 from cnoeabs.peaks (0.62, 2.29, 34.45 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 12 + HG2 GLN 72 OK 100 100 100 100 1.8-1.9 2.1/8775=73, 9881/1.8=71...(23) QD1 ILE 90 - HG2 GLN 96 far 0 35 0 - 6.1-8.2 QD1 ILE 77 - HG2 GLN 72 far 0 65 0 - 7.2-7.4 QD1 LEU 83 - HG2 GLN 86 far 0 63 0 - 7.7-8.0 QD2 LEU 12 - HG2 GLN 96 far 0 69 0 - 8.3-9.1 QD1 ILE 90 - HG2 GLN 86 far 0 37 0 - 8.7-10.2 QD1 LEU 83 - HG2 GLN 96 far 0 59 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 9881 from cnoeabs.peaks (0.62, 2.63, 34.45 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 12 + HG3 GLN 72 OK 99 99 100 100 3.1-3.3 8776=81, 9880/1.8=81...(20) QD1 ILE 77 - HG3 GLN 72 far 0 73 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 9882 from cnoeabs.peaks (0.29, 2.28, 29.27 ppm; 4.23 A): 2 out of 7 assignments used, quality = 0.98: QG2 VAL 76 + HB3 GLU 75 OK 86 87 100 100 4.3-4.6 10501/1.8=89...(10) QG2 VAL 76 + HB2 GLU 75 OK 86 86 100 100 3.1-3.5 10501=97, 2406/4.6=51...(13) QG2 VAL 76 - HB3 GLN 72 far 0 100 0 - 5.0-5.3 HG2 LYS 98 - HB3 GLU 75 far 0 53 0 - 6.7-8.9 HG2 LYS 98 - HB2 GLU 75 far 0 53 0 - 7.2-9.4 QG1 VAL 21 - HB2 GLU 75 far 0 73 0 - 9.1-9.4 QG1 VAL 21 - HB3 GLU 75 far 0 74 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 9883 from cnoeabs.peaks (0.28, 4.18, 58.89 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.96: QG2 VAL 76 + HA GLN 72 OK 96 96 100 100 4.2-4.6 9961=90, 8504/9878=76...(8) HG2 LYS 98 - HA GLN 72 far 0 82 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 9887 from cnoeabs.peaks (8.47, 4.18, 58.89 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: H THR 74 + HA GLN 72 OK 100 100 100 100 4.4-4.5 7042=100, 7036/3.6=81...(11) H ASN 78 - HA GLN 72 far 0 93 0 - 7.8-7.9 Violated in 0 structures by 0.00 A. Peak 9888 from cnoeabs.peaks (8.48, 2.28, 29.27 ppm; 5.47 A increased from 4.86 A): 4 out of 7 assignments used, quality = 0.97: H THR 74 + HB2 GLU 75 OK 86 87 100 100 5.0-5.3 7049/4.0=84...(9) H ASN 78 + HB3 GLU 75 OK 48 66 100 73 5.3-5.4 2357/3.0=60...(4) H ASN 78 + HB2 GLU 75 OK 48 66 100 73 5.2-5.3 2357/3.0=60...(4) H THR 74 + HB3 GLN 72 OK 30 100 30 100 6.0-6.1 7036/2302=85...(6) H THR 74 - HB3 GLU 75 far 0 87 0 - 6.3-6.3 H ASP 82 - HB3 GLU 75 far 0 77 0 - 9.5-9.8 H ASN 78 - HB3 GLN 72 far 0 82 0 - 9.8-9.9 Violated in 0 structures by 0.00 A. Peak 9889 from cnoeabs.peaks (8.95, 2.63, 34.45 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.98: H ASN 71 + HG3 GLN 72 OK 98 98 100 100 3.5-3.7 9850=98, 6990/7000=92...(7) H ALA 24 - HG3 GLN 72 far 0 71 0 - 7.9-8.9 H ILE 11 - HG3 GLN 72 far 0 96 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 9892 from cnoeabs.peaks (3.55, 1.52, 17.64 ppm; 3.95 A): 2 out of 5 assignments used, quality = 1.00: HA THR 74 + QB ALA 73 OK 100 100 100 100 3.7-3.7 8498=100, 3.0/7045=70...(11) HA TRP 48 + QB ALA 73 OK 72 75 100 96 3.4-3.6 4.6/8478=45, 9314=42...(8) HA VAL 76 - QB ALA 73 far 0 77 0 - 6.5-6.6 HA ILE 67 - QB ALA 73 far 0 98 0 - 7.0-7.2 HA PRO 43 - QB ALA 73 far 0 68 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 9893 from cnoeabs.peaks (2.28, 1.52, 17.64 ppm; 4.65 A): 1 out of 9 assignments used, quality = 0.98: HG2 GLN 72 + QB ALA 73 OK 98 99 100 100 3.5-3.7 7029/2328=90...(16) HB3 GLN 72 - QB ALA 73 far 0 100 0 - 5.4-5.5 HB2 GLU 75 - QB ALA 73 far 0 98 0 - 5.8-6.0 HB3 GLU 75 - QB ALA 73 far 0 98 0 - 7.1-7.2 HG3 GLU 101 - QB ALA 73 far 0 100 0 - 8.0-8.4 HB3 GLN 49 - QB ALA 73 far 0 71 0 - 8.2-8.5 HB2 ASP 26 - QB ALA 73 far 0 61 0 - 8.9-9.3 HG2 GLU 101 - QB ALA 73 far 0 100 0 - 9.0-9.4 HG2 GLN 49 - QB ALA 73 far 0 96 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 9896 from cnoeabs.peaks (7.77, 1.52, 17.64 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: H GLN 72 + QB ALA 73 OK 100 100 100 100 4.0-4.0 9857=100, 7003/2328=89...(14) HD22 ASN 71 - QB ALA 73 far 0 90 0 - 7.6-7.7 H VAL 102 - QB ALA 73 far 0 100 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 9897 from cnoeabs.peaks (8.17, 1.52, 17.64 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: H LEU 70 + QB ALA 73 OK 100 100 100 100 4.5-4.6 3.0/2327=94...(11) H PHE 79 - QB ALA 73 far 0 97 0 - 7.7-7.8 HE3 TRP 42 - QB ALA 73 far 0 99 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 9898 from cnoeabs.peaks (8.93, 1.52, 17.64 ppm; 5.51 A): 2 out of 3 assignments used, quality = 1.00: H ALA 24 + QB ALA 73 OK 99 100 100 99 4.3-5.0 6297/8057=59...(9) H ASN 71 + QB ALA 73 OK 96 96 100 100 4.6-4.7 3.6/2327=94...(12) H LEU 15 - QB ALA 73 far 0 73 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 9899 from cnoeabs.peaks (1.97, 1.52, 17.64 ppm; 4.98 A): 3 out of 5 assignments used, quality = 1.00: HB VAL 69 + QB ALA 73 OK 99 100 100 99 4.3-4.5 2.1/8449=87...(8) HB2 GLN 72 + QB ALA 73 OK 91 91 100 100 4.7-4.8 7028/2328=79...(17) HB3 LEU 70 + QB ALA 73 OK 90 90 100 100 4.9-5.0 2.9/2327=94, 3.1/8496=86...(10) HB3 GLU 101 - QB ALA 73 far 0 87 0 - 6.6-7.0 HB2 GLU 54 - QB ALA 73 far 0 97 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9903 from cnoeabs.peaks (0.29, 3.81, 55.20 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 76 + HA ALA 73 OK 100 100 100 100 3.2-3.6 9960=100, 2.1/2399=76...(15) QG1 VAL 21 - HA ALA 73 far 0 94 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 9904 from cnoeabs.peaks (0.28, 1.52, 17.64 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 76 + QB ALA 73 OK 99 99 100 100 4.5-4.7 9960/2.1=97, ~2399=70...(12) QG1 VAL 21 - QB ALA 73 far 0 84 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 9905 from cnoeabs.peaks (0.95, 3.81, 55.20 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 76 + HA ALA 73 OK 100 100 100 100 4.1-4.2 2.1/9960=87, 2.1/2399=85...(14) QG1 VAL 14 - HA ALA 73 far 0 100 0 - 5.5-5.9 QG2 THR 74 - HA ALA 73 far 0 97 0 - 5.7-5.8 QG1 VAL 25 - HA ALA 73 far 0 82 0 - 8.2-8.6 HG3 LYS 52 - HA ALA 73 far 0 99 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 9906 from cnoeabs.peaks (0.95, 1.52, 17.64 ppm; 5.09 A increased from 4.28 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 76 + QB ALA 73 OK 100 100 100 100 4.7-4.9 9905/2.1=92, 2.1/9904=79...(12) QG2 THR 74 + QB ALA 73 OK 97 97 100 100 4.9-5.0 2.1/10494=91...(7) QG1 VAL 14 - QB ALA 73 far 5 100 5 - 5.7-6.1 QG1 VAL 25 - QB ALA 73 far 0 82 0 - 5.8-6.2 HG3 LYS 52 - QB ALA 73 far 0 99 0 - 6.3-8.6 HB2 LEU 15 - QB ALA 73 far 0 99 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9907 from cnoeabs.peaks (-0.34, 3.54, 66.69 ppm; 4.32 A increased from 4.06 A): 1 out of 2 assignments used, quality = 0.95: QG2 ILE 77 + HA THR 74 OK 95 95 100 100 4.1-4.2 9979=90, 2.1/2338=88...(9) QG2 ILE 77 - HA VAL 76 far 0 75 0 - 6.1-6.1 Violated in 0 structures by 0.00 A. Peak 9909 from cnoeabs.peaks (-0.34, 0.96, 21.66 ppm; 4.93 A increased from 4.64 A): 2 out of 3 assignments used, quality = 0.99: QG2 ILE 77 + QG2 THR 74 OK 95 97 100 98 5.1-5.3 9907/3.2=74, ~2338=54...(8) QG2 ILE 77 + QG1 VAL 76 OK 83 85 100 98 4.6-4.7 3.2/9983=71, 2438/4.2=65...(7) QG2 ILE 77 - QG1 VAL 14 far 0 49 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 9911 from cnoeabs.peaks (2.27, 4.23, 68.56 ppm; 6.00 A increased from 5.21 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 75 + HB THR 74 OK 100 100 100 100 5.7-6.0 4.0/2344=93, 3.0/9929=81...(13) HB3 GLU 75 + HB THR 74 OK 100 100 100 100 6.4-6.5 4.0/2344=93, 3.0/9929=81...(12) HG2 GLN 72 - HB THR 74 far 0 88 0 - 7.1-7.4 HB3 GLN 72 - HB THR 74 far 0 100 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 9912 from cnoeabs.peaks (2.27, 0.96, 21.66 ppm; 4.35 A): 2 out of 20 assignments used, quality = 1.00: HB2 GLU 75 + QG2 THR 74 OK 100 100 100 100 4.2-4.3 3.0/9938=75, 3.0/9948=63...(12) HB3 GLU 75 + QG2 THR 74 OK 99 100 100 99 4.2-4.3 3.0/9938=75, 3.0/9948=63...(11) HB2 GLU 75 - QG1 VAL 76 far 0 90 0 - 5.3-5.4 HG2 GLN 96 - QG1 VAL 14 far 0 54 0 - 6.1-7.0 HB3 GLU 75 - QG1 VAL 76 far 0 90 0 - 6.1-6.3 HG2 GLN 72 - QG1 VAL 76 far 0 69 0 - 6.5-6.7 HB3 GLN 72 - QG2 THR 74 far 0 99 0 - 6.7-6.9 HG2 GLN 72 - QG2 THR 74 far 0 82 0 - 7.2-7.4 HB3 GLN 72 - QG1 VAL 76 far 0 87 0 - 7.4-7.6 HG2 GLN 72 - QG1 VAL 14 far 0 38 0 - 7.5-7.8 HG2 GLN 96 - QG1 VAL 76 far 0 90 0 - 7.5-8.3 HB2 GLU 75 - QG1 VAL 14 far 0 54 0 - 7.6-7.9 HG3 GLU 101 - QG1 VAL 76 far 0 83 0 - 8.3-8.6 HG3 GLU 101 - QG2 THR 74 far 0 96 0 - 8.5-8.8 HB3 GLU 75 - QG1 VAL 14 far 0 53 0 - 8.6-8.8 HB3 GLN 72 - QG1 VAL 14 far 0 51 0 - 8.8-9.1 HB3 GLN 49 - QG2 THR 74 far 0 95 0 - 9.5-10.2 HG2 GLU 101 - QG1 VAL 76 far 0 84 0 - 9.5-9.8 HG3 GLU 101 - QG1 VAL 14 far 0 48 0 - 9.6-9.9 HG2 GLU 101 - QG2 THR 74 far 0 96 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 9914 from cnoeabs.peaks (6.70, 3.54, 66.69 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: HD1 TRP 48 + HA THR 74 OK 99 100 100 99 3.4-3.7 8478/8498=55...(13) HD1 TRP 48 - HA VAL 76 far 0 84 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 9915 from cnoeabs.peaks (7.45, 0.94, 21.61 ppm; 3.37 A): 1 out of 4 assignments used, quality = 0.75: HZ3 TRP 16 + QG1 VAL 76 OK 75 99 100 76 2.7-3.1 8884/8500=36...(9) HZ2 TRP 16 - QG1 VAL 76 far 0 93 0 - 6.0-6.7 H GLY 97 - QG1 VAL 76 far 0 84 0 - 8.8-9.5 H VAL 25 - QG1 VAL 76 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 9916 from cnoeabs.peaks (7.31, 0.94, 21.61 ppm; 4.07 A increased from 3.43 A): 2 out of 18 assignments used, quality = 1.00: QD PHE 99 + QG1 VAL 76 OK 99 99 100 100 3.7-4.2 10168/2.1=68...(24) QE PHE 104 + QG1 VAL 76 OK 98 100 100 98 3.2-4.0 2.2/9918=65, ~10504=46...(14) QE PHE 79 - QG1 VAL 76 far 0 100 0 - 4.9-6.4 HZ2 TRP 48 - QG2 THR 74 far 0 88 0 - 5.3-5.8 HE3 TRP 80 - QG1 VAL 76 far 0 99 0 - 5.7-5.9 HE3 TRP 48 - QG2 THR 74 far 0 48 0 - 6.7-7.5 QD PHE 99 - QG2 THR 74 far 0 87 0 - 6.8-7.3 HH2 TRP 42 - QG2 THR 74 far 0 55 0 - 7.5-8.3 HZ3 TRP 42 - QG2 THR 74 far 0 72 0 - 8.2-8.9 HH2 TRP 42 - QG1 VAL 76 far 0 68 0 - 8.6-9.1 H ASN 20 - QG1 VAL 76 far 0 100 0 - 8.9-9.4 HE3 TRP 80 - QG2 THR 74 far 0 87 0 - 9.1-9.5 HZ3 TRP 42 - QG1 VAL 76 far 0 85 0 - 9.4-9.7 QE PHE 79 - QG2 THR 74 far 0 90 0 - 9.4-10.0 HE22 GLN 86 - QG1 VAL 76 far 0 59 0 - 9.6-10.0 HE22 GLN 81 - QG1 VAL 76 far 0 90 0 - 9.6-11.0 HE22 GLN 81 - QG2 THR 74 far 0 76 0 - 9.7-12.9 QE PHE 104 - QG2 THR 74 far 0 90 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9918 from cnoeabs.peaks (6.86, 0.94, 21.61 ppm; 4.32 A increased from 4.07 A): 1 out of 4 assignments used, quality = 0.97: HZ PHE 104 + QG1 VAL 76 OK 97 100 100 97 3.9-4.1 10504/2.1=81...(10) HD1 TRP 42 - QG1 VAL 76 far 0 65 0 - 6.5-7.0 HH2 TRP 80 - QG1 VAL 76 far 0 98 0 - 8.6-8.8 QD PHE 41 - QG1 VAL 76 far 0 61 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 9919 from cnoeabs.peaks (9.50, 0.94, 21.61 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.90: HE1 TRP 48 + QG2 THR 74 OK 90 90 100 100 4.6-4.8 9340/2.1=81, 9307/4.0=72...(11) HE1 TRP 48 - QG1 VAL 76 far 0 100 0 - 8.6-8.8 Violated in 1 structures by 0.00 A. Peak 9920 from cnoeabs.peaks (7.69, 3.52, 66.60 ppm; 4.31 A): 1 out of 4 assignments used, quality = 1.00: QD PHE 79 + HA VAL 76 OK 100 100 100 100 3.4-4.2 2.4/2398=83, 2.4/2397=79...(14) HE3 TRP 16 - HA VAL 76 far 0 99 0 - 6.7-7.3 QD PHE 79 - HA THR 74 far 0 84 0 - 9.4-9.6 H LEU 51 - HA THR 74 far 0 83 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 9921 from cnoeabs.peaks (7.31, 3.52, 66.60 ppm; 4.27 A): 1 out of 10 assignments used, quality = 0.99: QD PHE 99 + HA VAL 76 OK 99 99 100 100 3.6-4.2 2.2/9922=78...(20) QE PHE 104 - HA VAL 76 far 0 100 0 - 5.3-6.2 QE PHE 79 - HA VAL 76 far 0 100 0 - 5.6-6.3 HE3 TRP 48 - HA THR 74 far 0 43 0 - 6.4-7.1 HZ2 TRP 48 - HA THR 74 far 0 82 0 - 6.4-6.8 HH2 TRP 42 - HA THR 74 far 0 50 0 - 7.3-7.9 HE3 TRP 80 - HA VAL 76 far 0 99 0 - 7.5-7.8 HZ3 TRP 42 - HA THR 74 far 0 66 0 - 7.6-8.2 QD PHE 99 - HA THR 74 far 0 81 0 - 8.5-9.0 HE3 TRP 80 - HA THR 74 far 0 81 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9922 from cnoeabs.peaks (7.04, 3.52, 66.60 ppm; 3.98 A): 1 out of 5 assignments used, quality = 0.98: QE PHE 99 + HA VAL 76 OK 98 99 100 100 2.4-3.1 2.2/9923=71, 2.2/9921=63...(22) QE PHE 99 - HA THR 74 far 0 80 0 - 7.6-8.3 HH2 TRP 48 - HA THR 74 far 0 43 0 - 7.7-8.4 HE22 GLN 72 - HA THR 74 far 0 68 0 - 9.5-9.9 HE22 GLN 72 - HA VAL 76 far 0 88 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 9923 from cnoeabs.peaks (6.96, 3.52, 66.60 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.80: HZ PHE 99 + HA VAL 76 OK 80 81 100 100 2.7-3.3 2.2/9922=68, 3.8/9921=44...(16) HZ3 TRP 48 - HA THR 74 far 0 71 0 - 7.7-8.5 HZ PHE 99 - HA THR 74 far 0 61 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 9924 from cnoeabs.peaks (8.89, 3.52, 66.60 ppm; 4.82 A): 1 out of 6 assignments used, quality = 0.99: H TRP 80 + HA VAL 76 OK 99 99 100 100 3.8-3.9 7152=99, 7150/7135=75...(12) H TRP 80 - HA THR 74 far 0 80 0 - 8.2-8.3 H GLU 101 - HA VAL 76 far 0 59 0 - 8.6-8.8 H LEU 15 - HA VAL 76 far 0 100 0 - 9.0-9.4 H ALA 24 - HA THR 74 far 0 63 0 - 9.4-10.2 H ALA 24 - HA VAL 76 far 0 82 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9925 from cnoeabs.peaks (4.05, 0.96, 21.66 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: HA GLU 75 + QG2 THR 74 OK 100 100 100 100 2.8-2.9 9938=100, 3.0/7059=52...(16) HA GLU 75 - QG1 VAL 76 far 0 90 0 - 6.1-6.1 HA ALA 93 - QG1 VAL 14 far 0 26 0 - 8.3-9.5 HA GLU 75 - QG1 VAL 14 far 0 54 0 - 8.7-8.9 HA ALA 93 - QG1 VAL 76 far 0 50 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9926 from cnoeabs.peaks (2.91, 0.96, 21.66 ppm; 4.47 A): 2 out of 15 assignments used, quality = 0.99: HB3 ASN 78 + QG2 THR 74 OK 99 99 100 100 3.7-3.9 3.5/8482=81, 3.5/8515=75...(11) HB3 PHE 104 + QG1 VAL 14 OK 35 43 100 82 4.2-4.9 ~8818=37, ~11229=36...(7) HB2 ASN 71 - QG2 THR 74 far 0 73 0 - 5.1-6.1 HB2 PHE 104 - QG1 VAL 14 far 0 45 0 - 5.4-5.9 HB3 ASN 78 - QG1 VAL 76 far 0 87 0 - 6.0-6.1 HB3 PHE 104 - QG1 VAL 76 far 0 76 0 - 6.8-7.3 HB2 PHE 104 - QG1 VAL 76 far 0 78 0 - 7.5-7.9 HB3 ASP 82 - QG1 VAL 76 far 0 69 0 - 7.5-8.0 HE2 LYS 52 - QG2 THR 74 far 0 73 0 - 8.1-9.7 HB3 ASN 78 - QG1 VAL 14 far 0 51 0 - 8.6-8.9 HB3 ASP 82 - QG2 THR 74 far 0 82 0 - 9.0-9.5 HE3 LYS 88 - QG1 VAL 76 far 0 65 0 - 9.6-12.3 HB3 ASP 82 - QG1 VAL 14 far 0 38 0 - 9.7-10.2 HB2 ASN 71 - QG1 VAL 76 far 0 60 0 - 9.7-10.3 HB3 HIS 111 - QG1 VAL 14 far 0 30 0 - 9.9-17.0 Violated in 0 structures by 0.00 A. Peak 9927 from cnoeabs.peaks (2.59, 0.96, 21.66 ppm; 4.62 A): 1 out of 11 assignments used, quality = 1.00: HG3 GLU 75 + QG2 THR 74 OK 100 100 100 100 2.6-3.8 9948=99, 1.8/9930=78...(11) HG3 GLN 72 - QG2 THR 74 far 0 59 0 - 6.6-6.8 HB3 GLN 81 - QG1 VAL 76 far 0 55 0 - 6.9-7.7 HE2 LYS 13 - QG1 VAL 14 far 0 54 0 - 7.0-8.4 HG3 GLU 75 - QG1 VAL 76 far 0 89 0 - 7.1-7.5 HG3 GLN 72 - QG1 VAL 76 far 0 48 0 - 7.4-7.8 HB3 GLN 81 - QG2 THR 74 far 0 68 0 - 8.3-8.9 HG3 GLN 72 - QG1 VAL 14 far 0 25 0 - 8.7-9.1 HB3 GLN 81 - QG1 VAL 14 far 0 30 0 - 8.8-9.9 HE2 LYS 13 - QG1 VAL 76 far 0 90 0 - 9.2-10.4 HG3 GLU 75 - QG1 VAL 14 far 0 53 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 9929 from cnoeabs.peaks (2.37, 4.23, 68.56 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 75 + HB THR 74 OK 100 100 100 100 3.9-4.2 9930/2.1=91...(9) Violated in 0 structures by 0.00 A. Peak 9930 from cnoeabs.peaks (2.37, 0.96, 21.66 ppm; 4.63 A): 1 out of 12 assignments used, quality = 1.00: HG2 GLU 75 + QG2 THR 74 OK 100 100 100 100 2.1-2.9 1.8/9948=86...(9) HB3 LEU 17 - QG1 VAL 14 far 0 52 0 - 5.7-6.2 HG2 GLU 75 - QG1 VAL 76 far 0 90 0 - 6.7-7.2 HB2 GLN 81 - QG1 VAL 76 far 0 84 0 - 6.8-8.3 HB3 LEU 17 - QG1 VAL 76 far 0 88 0 - 7.3-8.0 HB2 GLN 81 - QG2 THR 74 far 0 96 0 - 8.6-9.9 HB2 GLN 81 - QG1 VAL 14 far 0 48 0 - 8.7-10.0 HB2 GLU 101 - QG1 VAL 76 far 0 82 0 - 9.1-9.5 HG2 GLU 75 - QG1 VAL 14 far 0 54 0 - 9.1-9.7 HB2 PHE 41 - QG1 VAL 14 far 0 50 0 - 9.2-10.3 HB2 GLU 101 - QG2 THR 74 far 0 95 0 - 9.3-9.7 HB2 GLU 101 - QG1 VAL 14 far 0 47 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 9938 from cnoeabs.peaks (0.96, 4.05, 59.39 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: QG2 THR 74 + HA GLU 75 OK 100 100 100 100 2.8-2.9 9925=97, 7059/3.0=51...(16) QG1 VAL 76 - HA GLU 75 far 0 93 0 - 6.1-6.1 QG1 VAL 14 - HA GLU 75 far 0 98 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 9939 from cnoeabs.peaks (3.54, 4.05, 59.39 ppm; 5.00 A): 2 out of 2 assignments used, quality = 1.00: HA THR 74 + HA GLU 75 OK 99 100 100 100 4.7-4.8 3.2/9938=86, ~2344=47...(14) HA VAL 76 + HA GLU 75 OK 94 94 100 100 4.8-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 9940 from cnoeabs.peaks (3.53, 2.27, 29.55 ppm; 5.17 A): 2 out of 8 assignments used, quality = 1.00: HA VAL 76 + HB2 GLU 75 OK 100 100 100 100 3.9-4.1 2393/10501=91...(16) HA VAL 76 + HB3 GLU 75 OK 100 100 100 100 4.4-4.7 ~10501=65, ~9963=56...(18) HA THR 74 - HB2 GLU 75 far 0 93 0 - 5.9-6.0 HA THR 74 - HB3 GLU 75 far 0 93 0 - 6.6-6.6 HD2 PRO 43 - HB2 GLN 19 far 0 79 0 - 6.7-8.1 HA VAL 76 - HB3 GLN 72 far 0 87 0 - 8.0-8.3 HA THR 74 - HB3 GLN 72 far 0 77 0 - 8.5-8.6 HA ILE 67 - HB3 GLN 72 far 0 49 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 9942 from cnoeabs.peaks (4.18, 2.37, 36.10 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 72 + HG2 GLU 75 OK 100 100 100 100 2.4-3.7 10922=100, 9943/1.8=81...(6) HA ALA 57 - HG2 GLU 54 far 0 71 0 - 9.1-9.2 Violated in 0 structures by 0.00 A. Peak 9943 from cnoeabs.peaks (4.18, 2.59, 36.10 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.98: HA GLN 72 + HG3 GLU 75 OK 98 100 100 98 2.4-4.1 10922/1.8=74, 10923=51...(6) Violated in 4 structures by 0.04 A. Peak 9945 from cnoeabs.peaks (7.03, 2.59, 36.10 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.79: QE PHE 99 + HG3 GLU 75 OK 79 93 100 85 3.9-4.6 10499/3.0=30...(9) HE22 GLN 72 - HG3 GLU 75 far 0 75 0 - 5.9-7.9 Violated in 2 structures by 0.00 A. Peak 9946 from cnoeabs.peaks (7.04, 2.37, 36.10 ppm; 3.82 A): 1 out of 5 assignments used, quality = 0.57: QE PHE 40 + HG2 GLU 54 OK 57 57 100 99 2.5-3.3 2.2/10764=42...(19) QE PHE 99 - HG2 GLU 75 far 10 99 10 - 4.2-5.4 HE22 GLN 72 - HG2 GLU 75 far 0 88 0 - 6.3-7.5 H LYS 58 - HG2 GLU 54 far 0 59 0 - 7.9-8.4 QD PHE 10 - HG2 GLU 54 far 0 79 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 9948 from cnoeabs.peaks (0.95, 2.59, 36.10 ppm; 4.23 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 74 + HG3 GLU 75 OK 99 99 100 100 2.6-3.8 9927=76, 9930/1.8=66...(11) QG1 VAL 76 - HG3 GLU 75 far 0 99 0 - 7.1-7.5 QG1 VAL 14 - HG3 GLU 75 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 9949 from cnoeabs.peaks (0.96, 2.37, 36.10 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.99: QG2 THR 74 + HG2 GLU 75 OK 98 100 100 98 2.1-2.9 9938/2354=53...(11) QG2 THR 37 + HG2 GLU 54 OK 49 50 100 98 2.5-3.0 8264=52, 9188/1.8=48...(12) QG1 VAL 25 - HG2 GLU 54 far 0 76 0 - 5.9-6.6 QG1 VAL 76 - HG2 GLU 75 far 0 88 0 - 6.7-7.2 HG3 LYS 52 - HG2 GLU 54 far 0 63 0 - 8.5-10.0 QG1 VAL 14 - HG2 GLU 75 far 0 96 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9950 from cnoeabs.peaks (0.48, 3.52, 66.60 ppm; 4.86 A increased from 4.57 A): 1 out of 7 assignments used, quality = 0.92: QG2 VAL 14 + HA VAL 76 OK 92 92 100 100 4.5-4.8 9955/2393=90...(15) HG3 LYS 98 - HA VAL 76 far 10 100 10 - 5.1-8.6 HG12 ILE 77 - HA THR 74 far 0 74 0 - 5.5-5.7 QD2 LEU 51 - HA THR 74 far 0 83 0 - 6.1-6.5 HG12 ILE 77 - HA VAL 76 far 0 94 0 - 6.5-6.7 QG2 VAL 14 - HA THR 74 far 0 72 0 - 6.7-7.0 QD2 LEU 51 - HA VAL 76 far 0 100 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 9951 from cnoeabs.peaks (0.50, 1.85, 31.40 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 14 + HB VAL 76 OK 100 100 100 100 2.7-2.9 8091=99, 10854/2.1=93...(20) HG12 ILE 77 - HB VAL 76 far 0 100 0 - 4.9-5.1 QD2 LEU 51 - HB VAL 76 far 0 93 0 - 6.8-7.2 HG3 LYS 98 - HB VAL 76 far 0 91 0 - 7.5-11.0 Violated in 0 structures by 0.00 A. Peak 9952 from cnoeabs.peaks (0.63, 1.85, 31.40 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 12 + HB VAL 76 OK 99 100 100 99 3.3-3.5 8072/2.1=85...(10) QD1 LEU 83 - HB VAL 76 far 0 87 0 - 7.8-8.9 QD1 ILE 90 - HB VAL 76 far 0 68 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 9953 from cnoeabs.peaks (0.82, 1.85, 31.40 ppm; 4.11 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 102 + HB VAL 76 OK 95 96 100 100 3.3-3.8 10211/2.1=87, ~8505=65...(10) QD1 LEU 12 + HB VAL 76 OK 79 88 90 100 4.5-4.9 2.1/9952=78, ~8072=57...(10) QG2 ILE 23 + HB VAL 76 OK 74 92 100 81 3.7-4.0 10929/2.1=43...(4) QG2 VAL 25 - HB VAL 76 far 0 87 0 - 7.7-8.0 QD1 LEU 51 - HB VAL 76 far 0 70 0 - 9.1-9.4 QG2 ILE 11 - HB VAL 76 far 0 81 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 9955 from cnoeabs.peaks (0.49, 0.29, 21.33 ppm; 3.17 A): 1 out of 7 assignments used, quality = 0.99: QG2 VAL 14 + QG2 VAL 76 OK 99 99 100 100 2.1-2.4 10854=99, 8527/8505=54...(20) QD2 LEU 51 - QD2 LEU 55 far 0 57 0 - 4.4-4.8 HG3 LYS 98 - QG2 VAL 76 far 0 95 0 - 4.5-7.3 HG12 ILE 77 - QG2 VAL 76 far 0 99 0 - 6.0-6.2 HB2 LYS 52 - QD2 LEU 55 far 0 54 0 - 6.3-7.2 QD2 LEU 51 - QG2 VAL 76 far 0 96 0 - 6.6-7.0 QG2 VAL 14 - QD2 LEU 55 far 0 60 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 9956 from cnoeabs.peaks (0.60, 0.94, 21.61 ppm; 3.91 A increased from 3.47 A): 2 out of 8 assignments used, quality = 0.96: QD2 LEU 12 + QG1 VAL 76 OK 83 84 100 99 3.7-3.9 8072/2.1=74, 8074=55...(10) QD1 ILE 77 + QG1 VAL 76 OK 74 96 80 97 4.4-4.5 9977=59, 7099/2417=51...(10) QD1 LEU 83 - QG1 VAL 76 far 0 100 0 - 5.0-5.9 QD1 ILE 77 - QG2 THR 74 far 0 83 0 - 5.2-5.5 QD2 LEU 12 - QG2 THR 74 far 0 70 0 - 6.2-6.5 QD2 LEU 83 - QG1 VAL 76 far 0 59 0 - 6.3-6.8 QD2 LEU 83 - QG2 THR 74 far 0 48 0 - 9.9-10.5 QD1 LEU 83 - QG2 THR 74 far 0 90 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 9957 from cnoeabs.peaks (1.54, 1.85, 31.40 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 73 + HB VAL 76 OK 98 98 100 100 4.1-4.3 2.1/2399=85, 9904/2.1=55...(12) HG13 ILE 77 + HB VAL 76 OK 55 65 100 84 3.5-3.6 4.9/7091=45, ~9977=44...(7) HG LEU 12 - HB VAL 76 far 0 99 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 9958 from cnoeabs.peaks (1.52, 0.29, 21.33 ppm; 4.71 A increased from 4.19 A): 3 out of 7 assignments used, quality = 1.00: QB ALA 73 + QG2 VAL 76 OK 100 100 100 100 4.5-4.7 2.1/9960=95, 9904=84...(13) HG LEU 12 + QG2 VAL 76 OK 100 100 100 100 4.7-4.9 2.1/8072=99...(9) HB3 LYS 58 + QD2 LEU 55 OK 38 44 100 86 4.5-5.2 11180/3.1=59...(10) QB ALA 73 - QD2 LEU 55 far 0 63 0 - 6.9-7.2 HG LEU 12 - QD2 LEU 55 far 0 63 0 - 8.3-8.5 HB3 LEU 83 - QG2 VAL 76 far 0 73 0 - 9.0-10.1 HD3 LYS 88 - QG2 VAL 76 far 0 100 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 9959 from cnoeabs.peaks (3.80, 0.94, 21.61 ppm; 4.43 A increased from 4.17 A): 3 out of 10 assignments used, quality = 1.00: HA ALA 73 + QG1 VAL 76 OK 98 98 100 100 4.1-4.2 9905=97, 9960/2.1=85...(14) HA TRP 80 + QG1 VAL 76 OK 79 82 100 96 4.7-4.9 2.9/10001=55, ~7152=33...(13) HB2 PHE 79 + QG1 VAL 76 OK 44 99 45 100 4.8-5.2 2397/3.2=70, ~2398=49...(13) HA ALA 73 - QG2 THR 74 far 0 85 0 - 5.7-5.8 HB3 TRP 16 - QG1 VAL 76 far 0 92 0 - 5.8-6.5 HB2 PHE 79 - QG2 THR 74 far 0 88 0 - 6.8-7.3 HA LYS 98 - QG1 VAL 76 far 0 98 0 - 8.1-9.2 HB3 SER 105 - QG1 VAL 76 far 0 97 0 - 8.9-9.5 HB2 SER 105 - QG1 VAL 76 far 0 98 0 - 9.3-10.7 HA3 GLY 97 - QG1 VAL 76 far 0 77 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 9960 from cnoeabs.peaks (3.81, 0.29, 21.33 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: HA ALA 73 + QG2 VAL 76 OK 100 100 100 100 3.2-3.6 9903=72, 2399/2.1=64...(15) HB2 PHE 79 - QG2 VAL 76 far 0 88 0 - 4.6-5.2 HA LYS 98 - QG2 VAL 76 far 0 100 0 - 6.7-7.3 HB3 TRP 16 - QG2 VAL 76 far 0 70 0 - 7.2-7.8 HB3 SER 105 - QG2 VAL 76 far 0 100 0 - 9.8-10.3 HA ALA 73 - QD2 LEU 55 far 0 63 0 - 9.8-10.2 HB2 SER 105 - QG2 VAL 76 far 0 100 0 - 9.9-11.4 Violated in 1 structures by 0.00 A. Peak 9961 from cnoeabs.peaks (4.20, 0.29, 21.33 ppm; 4.89 A): 1 out of 6 assignments used, quality = 0.94: HA GLN 72 + QG2 VAL 76 OK 94 94 100 100 4.2-4.6 9883=82, 9878/8072=72...(9) HB THR 74 - QG2 VAL 76 far 0 75 0 - 6.9-7.1 HA ALA 57 - QD2 LEU 55 far 0 43 0 - 7.4-7.5 HA ALA 62 - QD2 LEU 55 far 0 60 0 - 8.2-8.4 HA HIS 59 - QD2 LEU 55 far 0 58 0 - 8.3-8.7 HA ALA 47 - QD2 LEU 55 far 0 39 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 9962 from cnoeabs.peaks (2.26, 3.52, 66.60 ppm; 4.28 A): 2 out of 10 assignments used, quality = 1.00: HB2 GLU 75 + HA VAL 76 OK 98 99 100 100 3.9-4.1 10501/2393=73...(16) HB3 GLU 75 + HA VAL 76 OK 97 98 100 99 4.4-4.7 ~10501=45, ~9963=38...(18) HB2 GLU 75 - HA THR 74 far 0 80 0 - 5.9-6.0 HB3 GLU 75 - HA THR 74 far 0 80 0 - 6.6-6.6 HG2 GLN 72 - HA THR 74 far 0 50 0 - 7.8-8.0 HB3 GLN 72 - HA VAL 76 far 0 93 0 - 8.0-8.3 HG2 GLN 72 - HA VAL 76 far 0 68 0 - 8.0-8.2 HB3 GLN 72 - HA THR 74 far 0 73 0 - 8.5-8.6 HG3 GLU 101 - HA VAL 76 far 0 87 0 - 8.6-9.0 HB3 GLN 49 - HA THR 74 far 0 82 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 9963 from cnoeabs.peaks (2.24, 1.85, 31.40 ppm; 4.64 A increased from 3.91 A): 1 out of 4 assignments used, quality = 0.80: HB2 GLU 75 + HB VAL 76 OK 80 82 100 97 4.5-4.6 10501/2.1=73...(8) HB3 GLU 75 - HB VAL 76 far 0 81 0 - 5.8-6.0 HB3 GLN 72 - HB VAL 76 far 0 68 0 - 6.8-7.1 HG2 GLU 101 - HB VAL 76 far 0 59 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9965 from cnoeabs.peaks (8.87, 0.29, 21.33 ppm; 5.40 A increased from 4.80 A): 2 out of 7 assignments used, quality = 1.00: H GLU 101 + QG2 VAL 76 OK 98 99 100 99 5.4-5.6 8525/10211=80...(6) H TRP 80 + QG2 VAL 76 OK 95 95 100 100 5.1-5.3 7152/2393=88...(8) H LEU 15 - QG2 VAL 76 far 0 81 0 - 6.4-6.7 H LYS 13 - QG2 VAL 76 far 0 98 0 - 6.9-7.2 H LYS 13 - QD2 LEU 55 far 0 59 0 - 7.3-7.5 H SER 105 - QG2 VAL 76 far 0 100 0 - 8.1-8.6 H ALA 64 - QD2 LEU 55 far 0 55 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 9966 from cnoeabs.peaks (7.51, -0.33, 14.52 ppm; 5.16 A): 1 out of 4 assignments used, quality = 0.97: HZ2 TRP 42 + QG2 ILE 77 OK 97 100 100 97 2.5-2.8 10817=62, 2.8/10790=55...(9) H GLU 75 - QG2 ILE 77 far 0 82 0 - 6.2-6.3 H LEU 83 - QG2 ILE 77 far 0 94 0 - 7.9-8.1 HZ2 TRP 16 - QG2 ILE 77 far 0 65 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 9967 from cnoeabs.peaks (6.83, -0.33, 14.52 ppm; 5.77 A): 1 out of 3 assignments used, quality = 1.00: HD1 TRP 42 + QG2 ILE 77 OK 100 100 100 100 3.7-4.6 10717=88, 2.6/10790=71...(9) HZ2 TRP 80 - QG2 ILE 77 far 0 88 0 - 7.0-7.5 HZ PHE 104 - QG2 ILE 77 far 0 82 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 9968 from cnoeabs.peaks (8.16, 0.58, 13.39 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.96: HE3 TRP 42 + QD1 ILE 77 OK 96 100 100 96 4.2-4.5 9282/10789=72...(8) H PHE 79 - QD1 ILE 77 far 0 100 0 - 6.5-6.6 H LEU 70 - QD1 ILE 77 far 0 98 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 9969 from cnoeabs.peaks (7.30, 0.58, 13.39 ppm; 5.00 A increased from 4.45 A): 2 out of 10 assignments used, quality = 0.92: HH2 TRP 42 + QD1 ILE 77 OK 77 82 100 93 5.1-5.3 4.3/9968=55, ~9966=39...(7) HZ3 TRP 42 + QD1 ILE 77 OK 63 71 100 89 4.9-5.0 2.5/9968=74, 6.4/8508=20...(5) HE3 TRP 48 - QD1 ILE 77 far 0 75 0 - 5.6-6.1 HE3 TRP 80 - QD1 ILE 77 far 0 100 0 - 6.1-6.5 HZ2 TRP 48 - QD1 ILE 77 far 0 95 0 - 7.3-7.6 HE22 GLN 81 - QD1 ILE 77 far 0 77 0 - 8.0-11.1 QD PHE 99 - QD1 ILE 77 far 0 100 0 - 8.3-8.6 QE PHE 104 - QD1 ILE 77 far 0 99 0 - 8.4-9.0 QE PHE 79 - QD1 ILE 77 far 0 100 0 - 9.8-10.6 H ASN 20 - QD1 ILE 77 far 0 99 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 9972 from cnoeabs.peaks (0.30, -0.33, 14.52 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 21 + QG2 ILE 77 OK 100 100 100 100 2.9-3.1 8865=97, 8119/3.1=67...(15) QG2 VAL 76 - QG2 ILE 77 far 0 99 0 - 6.2-6.2 Violated in 0 structures by 0.00 A. Peak 9974 from cnoeabs.peaks (0.30, 0.50, 29.37 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 21 + HG12 ILE 77 OK 100 100 100 100 2.7-2.9 8119=100, 9976/2.1=89...(9) QG2 VAL 76 - HG12 ILE 77 far 0 99 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 9975 from cnoeabs.peaks (0.77, 0.50, 29.37 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 23 + HG12 ILE 77 OK 92 92 100 100 3.8-4.0 8546/2.1=92, 8936/3.1=68...(13) QG2 ILE 23 + HG12 ILE 77 OK 79 79 100 100 2.4-2.7 ~8546=66, 8141/8119=58...(16) Violated in 0 structures by 0.00 A. Peak 9976 from cnoeabs.peaks (0.31, 0.58, 13.39 ppm; 3.92 A increased from 3.69 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 21 + QD1 ILE 77 OK 100 100 100 100 3.8-3.9 8119/2.1=76, 8868/2.1=54...(11) QG2 VAL 76 - QD1 ILE 77 far 0 98 0 - 5.6-5.7 QD2 LEU 55 - QD1 ILE 77 far 0 87 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 9977 from cnoeabs.peaks (0.93, 0.58, 13.39 ppm; 4.57 A increased from 4.06 A): 1 out of 7 assignments used, quality = 0.98: QG1 VAL 76 + QD1 ILE 77 OK 98 99 100 99 4.4-4.5 2417/7099=69...(11) QG2 THR 74 - QD1 ILE 77 far 0 77 0 - 5.2-5.5 QG1 VAL 14 - QD1 ILE 77 far 0 96 0 - 5.4-5.9 HG3 LYS 52 - QD1 ILE 77 far 0 99 0 - 8.0-9.7 HB2 LEU 15 - QD1 ILE 77 far 0 85 0 - 8.3-8.9 QG2 VAL 103 - QD1 ILE 77 far 0 63 0 - 9.1-10.6 QG2 ILE 67 - QD1 ILE 77 far 0 73 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 9978 from cnoeabs.peaks (3.82, 0.58, 13.39 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.95: HA ALA 73 + QD1 ILE 77 OK 95 100 100 95 4.1-4.3 10495/8546=65...(6) HB2 PHE 79 - QD1 ILE 77 far 0 82 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 9979 from cnoeabs.peaks (3.54, -0.33, 14.52 ppm; 4.39 A): 1 out of 5 assignments used, quality = 1.00: HA THR 74 + QG2 ILE 77 OK 100 100 100 100 4.1-4.2 9907=95, 2338/2.1=89...(9) HA PRO 43 - QG2 ILE 77 far 0 82 0 - 5.0-5.6 HD2 PRO 43 - QG2 ILE 77 far 0 98 0 - 5.2-7.3 HA TRP 48 - QG2 ILE 77 far 0 59 0 - 5.9-6.1 HA VAL 76 - QG2 ILE 77 far 0 90 0 - 6.1-6.1 Violated in 0 structures by 0.00 A. Peak 9981 from cnoeabs.peaks (4.38, -0.33, 14.52 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.99: HA ASN 78 + QG2 ILE 77 OK 99 100 100 99 3.3-3.5 8516=97, ~2437=47...(4) HA ASP 82 - QG2 ILE 77 far 0 68 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 9983 from cnoeabs.peaks (0.95, 3.40, 66.01 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.99: QG1 VAL 76 + HA ILE 77 OK 99 100 100 100 3.0-3.1 2417/3.0=77...(11) QG1 VAL 14 - HA ILE 77 far 5 100 5 - 4.8-5.4 QG2 THR 74 - HA ILE 77 far 0 97 0 - 6.9-7.0 HB2 LEU 15 - HA ILE 77 far 0 99 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9985 from cnoeabs.peaks (9.45, 4.38, 55.64 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.93: H GLN 81 + HA ASN 78 OK 93 100 100 94 3.8-3.9 4.0/9989=67, 9996/3.6=53...(5) Violated in 0 structures by 0.00 A. Peak 9989 from cnoeabs.peaks (2.66, 4.38, 55.64 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.53: HB3 GLN 81 + HA ASN 78 OK 53 77 100 68 3.1-3.7 4.0/9985=39, 10610=35 HB2 ASP 82 - HA ASN 78 far 0 93 0 - 6.9-7.4 HE2 LYS 84 - HA ASN 78 far 0 65 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 9990 from cnoeabs.peaks (0.95, 2.84, 37.16 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 74 + HB2 ASN 78 OK 99 99 100 100 4.8-5.0 8482/3.5=93, 9991/1.8=87...(7) QG1 VAL 76 - HB2 ASN 78 far 0 99 0 - 6.9-7.0 QG1 VAL 14 - HB2 ASN 78 far 0 100 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 9991 from cnoeabs.peaks (0.96, 2.90, 37.16 ppm; 4.92 A): 1 out of 3 assignments used, quality = 1.00: QG2 THR 74 + HB3 ASN 78 OK 100 100 100 100 3.7-3.9 8482/3.5=90, 8515/3.5=80...(11) QG1 VAL 76 - HB3 ASN 78 far 0 96 0 - 6.0-6.1 QG1 VAL 14 - HB3 ASN 78 far 0 99 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 9992 from cnoeabs.peaks (6.94, 3.67, 40.05 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 99 + HB3 PHE 79 OK 100 100 100 100 2.5-2.9 8517/1.8=65...(14) H LEU 17 - HB3 PHE 79 far 0 97 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9997 from cnoeabs.peaks (1.56, 3.77, 62.23 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.99: HB3 LEU 83 + HA TRP 80 OK 99 99 100 100 3.3-4.5 3.1/10576=73...(7) HG13 ILE 77 - HA TRP 80 far 0 99 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 9998 from cnoeabs.peaks (1.35, 3.77, 62.23 ppm; 4.49 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 83 + HA TRP 80 OK 100 100 100 100 2.2-2.5 2.1/10576=85...(11) HG3 LYS 84 - HA TRP 80 far 9 92 10 - 5.0-9.7 HD3 LYS 84 - HA TRP 80 far 5 96 5 - 5.0-9.8 HG3 LYS 88 - HA TRP 80 far 0 70 0 - 6.8-8.9 HB2 LYS 88 - HA TRP 80 far 0 65 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 9999 from cnoeabs.peaks (1.24, 3.77, 62.23 ppm; 5.47 A increased from 5.15 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 83 + HA TRP 80 OK 100 100 100 100 3.3-5.2 1.8/9997=97...(7) HG2 LYS 84 - HA TRP 80 poor 5 65 35 22 4.9-9.5 10539/10980=9...(3) Violated in 0 structures by 0.00 A. Peak 10004 from cnoeabs.peaks (0.60, 3.77, 62.23 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 83 + HA TRP 80 OK 100 100 100 100 1.9-3.5 10576=77, 2.1/10580=59...(11) QD2 LEU 83 + HA TRP 80 OK 58 59 100 99 3.7-3.9 2.1/10576=60...(11) QD1 ILE 77 - HA TRP 80 far 0 96 0 - 8.4-8.6 QD2 LEU 12 - HA TRP 80 far 0 84 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 10006 from cnoeabs.peaks (7.67, 3.77, 62.23 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.97: * QD PHE 79 + HA TRP 80 OK 97 98 100 100 3.4-4.2 7160/2.9=61...(22) H LYS 84 - HA TRP 80 far 0 96 0 - 5.0-5.7 HE3 TRP 16 - HA TRP 80 far 0 100 0 - 5.5-6.2 H GLU 94 - HA TRP 80 far 0 82 0 - 10.0-11.4 Violated in 1 structures by 0.00 A. Peak 10007 from cnoeabs.peaks (7.47, 3.77, 62.23 ppm; 4.28 A increased from 3.80 A): 2 out of 3 assignments used, quality = 1.00: * HZ2 TRP 16 + HA TRP 80 OK 99 100 100 99 2.7-4.6 2.5/10008=81...(11) HZ3 TRP 16 + HA TRP 80 OK 86 87 100 99 3.8-4.3 2.4/10008=82...(12) HE22 GLN 89 - HA TRP 80 far 0 70 0 - 6.9-14.1 Violated in 0 structures by 0.00 A. Peak 10008 from cnoeabs.peaks (7.35, 3.77, 62.23 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.97: * HH2 TRP 16 + HA TRP 80 OK 97 100 100 97 2.1-3.2 10296=46, 11037/2.9=40...(12) HE22 GLN 81 - HA TRP 80 far 0 94 0 - 7.9-10.2 Violated in 0 structures by 0.00 A. Peak 10010 from cnoeabs.peaks (2.52, 2.90, 37.51 ppm; 5.33 A): 1 out of 3 assignments used, quality = 0.97: HG3 GLN 86 + HB2 ASN 85 OK 97 98 100 99 3.2-5.1 7501/7493=79, 10027=55...(11) HG3 GLN 81 - HB2 ASN 85 poor 18 92 35 57 5.0-9.0 10013/3.5=25...(5) HG3 GLN 81 - HB3 ASN 78 far 3 67 5 - 5.8-9.0 Violated in 0 structures by 0.00 A. Peak 10011 from cnoeabs.peaks (2.28, 2.90, 37.51 ppm; 5.12 A): 4 out of 5 assignments used, quality = 1.00: HG2 GLN 86 + HB2 ASN 85 OK 95 100 100 95 3.6-5.4 3352/7493=73...(7) HB3 GLU 75 + HB3 ASN 78 OK 75 75 100 100 4.6-4.7 3.0/2359=88, ~2358=61...(12) HB2 GLU 75 + HB3 ASN 78 OK 75 75 100 100 5.2-5.3 3.0/2359=88, ~2358=61...(12) HB2 GLN 86 + HB2 ASN 85 OK 34 95 40 91 5.5-7.0 4.0/7493=69...(5) HG2 GLN 89 - HB2 ASN 85 far 0 65 0 - 9.1-15.4 Violated in 0 structures by 0.00 A. Peak 10018 from cnoeabs.peaks (8.78, 2.50, 34.08 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.97: H ASN 85 + HG3 GLN 86 OK 96 98 100 98 3.9-4.2 7491/7501=85...(6) H ASN 85 + HG3 GLN 81 OK 32 92 70 50 4.5-7.2 10391/10384=19...(4) H ILE 90 - HG3 GLN 86 far 0 99 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 10022 from cnoeabs.peaks (2.88, 2.27, 29.86 ppm; 4.96 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 88 + HB2 GLN 86 OK 100 100 100 100 3.3-4.9 1.8/10083=100...(20) HE2 LYS 88 + HB2 GLN 86 OK 100 100 100 100 3.3-3.4 10083=100, 3.8/10081=75...(20) HB3 ASN 78 + HB2 GLU 75 OK 74 74 100 99 5.2-5.3 2359/3.0=72, ~2358=58...(12) HB3 ASN 78 + HB3 GLU 75 OK 73 74 100 99 4.6-4.7 2359/3.0=72, ~2358=58...(12) HB2 ASN 85 - HB2 GLN 86 far 10 96 10 - 5.5-7.0 Violated in 0 structures by 0.00 A. Peak 10023 from cnoeabs.peaks (3.67, 2.27, 29.86 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.97: HA LEU 83 + HB2 GLN 86 OK 96 96 100 100 3.9-4.5 10025/1.8=74...(17) HB3 PHE 79 + HB3 GLU 75 OK 36 84 70 62 5.2-5.9 2398/9962=35...(4) HB3 PHE 79 - HB2 GLU 75 far 4 85 5 - 5.6-6.1 Violated in 0 structures by 0.00 A. Peak 10025 from cnoeabs.peaks (3.69, 1.83, 29.86 ppm; 4.65 A): 1 out of 5 assignments used, quality = 1.00: HA LEU 83 + HB3 GLN 86 OK 100 100 100 100 2.2-2.8 10579/10566=74...(16) HD2 PRO 35 - HB3 GLU 110 far 0 99 0 - 5.5-22.7 HB3 SER 38 - HB3 GLU 110 far 0 97 0 - 6.1-17.4 HB3 SER 34 - HB3 GLU 110 far 0 62 0 - 7.8-26.0 HB3 PHE 79 - HB3 GLN 86 far 0 88 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 10026 from cnoeabs.peaks (3.67, 2.50, 34.08 ppm; 5.10 A): 1 out of 4 assignments used, quality = 0.90: HA LEU 83 + HG3 GLN 86 OK 90 91 100 99 3.5-3.8 10695/7519=62...(9) HB3 PHE 79 - HG3 GLN 81 far 0 96 0 - 6.4-9.4 HA LEU 83 - HG3 GLN 81 far 0 84 0 - 7.2-9.6 HB3 PHE 79 - HG3 GLN 86 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 10027 from cnoeabs.peaks (2.90, 2.50, 34.08 ppm; 4.94 A increased from 4.65 A): 2 out of 6 assignments used, quality = 1.00: HB2 ASN 85 + HG3 GLN 86 OK 99 100 100 99 3.2-5.1 7493/7501=72, 10010=66...(11) HE2 LYS 88 + HG3 GLN 86 OK 64 92 70 100 4.5-5.8 10083/3.0=86...(14) HE3 LYS 88 - HG3 GLN 86 poor 19 96 20 - 4.4-6.9 HB2 ASN 85 - HG3 GLN 81 poor 13 96 25 56 5.0-9.0 3.5/10013=22...(5) HB3 ASN 78 - HG3 GLN 81 far 0 96 0 - 5.8-9.0 HE3 LYS 88 - HG3 GLN 81 far 0 90 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 10028 from cnoeabs.peaks (2.89, 1.83, 29.86 ppm; 4.53 A): 3 out of 3 assignments used, quality = 1.00: HE2 LYS 88 + HB3 GLN 86 OK 98 98 100 100 3.5-4.3 10083/1.8=96...(19) HE3 LYS 88 + HB3 GLN 86 OK 70 99 70 100 3.5-5.3 ~10083=73, 3.8/10038=59...(20) HB2 ASN 85 + HB3 GLN 86 OK 47 99 55 86 4.9-6.4 7493/7499=63...(6) Violated in 0 structures by 0.00 A. Peak 10037 from cnoeabs.peaks (1.33, 2.27, 29.86 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.99: HG3 LYS 88 + HB2 GLN 86 OK 99 99 100 100 2.4-3.3 10081=99, 10038/1.8=85...(24) HG LEU 83 - HB2 GLN 86 far 0 91 0 - 6.9-7.8 HB3 LYS 98 - HB2 GLU 75 far 0 73 0 - 7.1-8.5 HB3 LYS 98 - HB3 GLU 75 far 0 73 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 10038 from cnoeabs.peaks (1.33, 1.83, 29.86 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.98: HG3 LYS 88 + HB3 GLN 86 OK 98 98 100 100 2.3-2.8 10086=96, 10081/1.8=84...(22) HG LEU 83 - HB3 GLN 86 far 0 94 0 - 5.4-6.2 HD3 LYS 84 - HB3 GLN 86 far 0 61 0 - 7.3-10.4 HB2 LYS 13 - HB3 GLU 110 far 0 84 0 - 8.9-18.6 Violated in 0 structures by 0.00 A. Peak 10039 from cnoeabs.peaks (0.56, 1.83, 29.86 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 83 + HB3 GLN 86 OK 100 100 100 100 3.4-3.7 10566=100...(16) QD1 LEU 83 - HB3 GLN 86 far 3 61 5 - 5.4-5.8 Violated in 0 structures by 0.00 A. Peak 10040 from cnoeabs.peaks (1.34, 2.29, 34.08 ppm; 5.10 A): 2 out of 14 assignments used, quality = 0.93: HG3 LYS 88 + HG2 GLN 86 OK 91 91 100 100 4.8-5.0 10038/3.0=81...(19) QB ALA 93 + HG2 GLN 96 OK 24 61 40 100 5.3-5.9 10137/3.0=65, ~2583=60...(11) HD3 LYS 84 - HG2 GLN 89 far 6 39 15 - 4.2-14.0 HG3 LYS 84 - HG2 GLN 89 far 2 35 5 - 5.5-12.6 HG3 LYS 88 - HG2 GLN 89 far 0 48 0 - 6.2-9.4 HB3 LYS 98 - HG2 GLN 96 far 0 58 0 - 7.1-7.8 HG LEU 83 - HG2 GLN 89 far 0 56 0 - 7.1-10.4 HG LEU 83 - HG2 GLN 86 far 0 99 0 - 7.6-8.3 HG3 LYS 84 - HG2 GLN 86 far 0 71 0 - 8.3-9.8 QB ALA 93 - HG2 GLN 89 far 0 38 0 - 8.7-12.2 HB2 LYS 13 - HG2 GLN 72 far 0 45 0 - 8.7-9.3 HD3 LYS 84 - HG2 GLN 86 far 0 79 0 - 9.3-11.4 HB2 LYS 13 - HG2 GLN 96 far 0 54 0 - 9.4-11.2 QB ALA 64 - HG2 GLN 72 far 0 46 0 - 10.0-10.2 Violated in 0 structures by 0.00 A. Peak 10042 from cnoeabs.peaks (1.35, 2.50, 34.08 ppm; 5.49 A): 2 out of 8 assignments used, quality = 0.93: HG3 LYS 88 + HG3 GLN 86 OK 85 85 100 100 4.0-4.8 10038/3.0=85...(18) HG LEU 83 + HG3 GLN 86 OK 53 100 55 97 5.9-6.6 3.7/10026=69, ~10566=63...(4) HG3 LYS 84 - HG3 GLN 81 poor 18 72 60 41 3.2-8.5 9770/3.5=25, ~3236=21 HD3 LYS 84 - HG3 GLN 81 poor 7 79 45 21 3.5-8.6 9770/3.5=20 HG LEU 83 - HG3 GLN 81 far 0 96 0 - 6.1-8.5 HG3 LYS 84 - HG3 GLN 86 far 0 79 0 - 6.8-8.7 HD3 LYS 84 - HG3 GLN 86 far 0 85 0 - 7.9-10.2 HG3 LYS 88 - HG3 GLN 81 far 0 79 0 - 9.0-12.8 Violated in 0 structures by 0.00 A. Peak 10052 from cnoeabs.peaks (3.80, 4.28, 53.92 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.85: HA LYS 84 + HA ASN 87 OK 85 100 100 85 3.8-4.1 10051/7530=65...(4) HA TRP 80 - HA ASN 87 far 0 82 0 - 9.3-10.4 Violated in 1 structures by 0.00 A. Peak 10058 from cnoeabs.peaks (2.28, 3.11, 36.95 ppm; 5.03 A increased from 4.74 A): 1 out of 9 assignments used, quality = 0.86: HB3 GLN 72 + HB3 ASN 71 OK 86 98 100 88 4.6-4.9 2294/6993=84, ~9853=20 HG2 GLN 89 - HB3 ASN 87 lone 5 73 40 17 4.2-8.7 10069/3390=13, 3360/4.0=3 HG2 GLN 72 - HB3 ASN 71 far 0 92 0 - 5.9-6.5 HB2 GLN 86 - HB3 ASN 87 far 0 98 0 - 5.9-6.1 HB2 GLU 75 - HB3 ASN 71 far 0 97 0 - 6.4-8.0 HG3 GLU 101 - HB3 ASN 71 far 0 98 0 - 6.9-7.8 HB3 GLU 75 - HB3 ASN 71 far 0 97 0 - 7.2-8.8 HG2 GLN 86 - HB3 ASN 87 far 0 100 0 - 7.6-7.8 HG2 GLU 101 - HB3 ASN 71 far 0 98 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 10061 from cnoeabs.peaks (3.68, 1.39, 35.33 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 83 + HB2 LYS 88 OK 100 100 100 100 3.5-4.2 10063/1.8=79...(19) HB3 PHE 79 - HB2 LYS 88 far 0 96 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 10062 from cnoeabs.peaks (4.27, 1.69, 35.33 ppm; 4.88 A): 2 out of 5 assignments used, quality = 0.99: HA ASN 87 + HB3 LYS 88 OK 95 99 100 95 5.1-5.3 3376/3413=84...(4) HA ALA 24 + HB VAL 25 OK 83 84 100 99 4.1-4.3 3.6/6306=76, 10314=40...(13) HA GLN 86 - HB3 LYS 88 far 0 65 0 - 5.5-6.5 HA SER 38 - HB VAL 25 far 0 65 0 - 7.4-8.0 HA VAL 102 - HB VAL 25 far 0 69 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 10063 from cnoeabs.peaks (3.69, 1.69, 35.33 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: HA LEU 83 + HB3 LYS 88 OK 100 100 100 100 2.0-2.8 10579/10565=84...(16) HA LEU 55 - HB VAL 25 far 0 84 0 - 6.5-7.0 HB3 PHE 79 - HB3 LYS 88 far 0 88 0 - 8.3-9.7 HB3 SER 38 - HB VAL 25 far 0 90 0 - 9.0-9.4 HA GLN 50 - HB VAL 25 far 0 91 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 10064 from cnoeabs.peaks (3.69, 1.20, 24.94 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 83 + HG2 LYS 88 OK 100 100 100 100 1.9-4.8 10063/3.0=95...(20) HA GLN 50 - HG13 ILE 23 far 0 42 0 - 8.1-8.4 HB3 PHE 79 - HG2 LYS 88 far 0 93 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 10066 from cnoeabs.peaks (3.69, 1.52, 28.76 ppm; 5.16 A increased from 4.58 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 83 + HD2 LYS 88 OK 100 100 100 100 3.4-5.0 10063/3.7=73...(17) HA LEU 83 + HD3 LYS 88 OK 100 100 100 100 3.7-5.3 10063/3.7=73...(17) HB3 PHE 79 - HD3 LYS 88 far 0 88 0 - 8.0-11.7 HB3 PHE 79 - HD2 LYS 88 far 0 88 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 10067 from cnoeabs.peaks (3.69, 2.88, 41.89 ppm; 4.62 A): 3 out of 7 assignments used, quality = 0.94: HA LEU 83 + HE2 LYS 88 OK 74 99 75 99 4.5-5.3 10063/4.8=48...(13) HA LEU 83 + HE3 LYS 88 OK 54 100 55 98 4.4-5.6 10063/4.8=48...(12) HA LEU 55 + HE2 LYS 58 OK 53 53 100 100 3.5-4.4 9565/3.0=66, 9563/3.9=52...(15) HB3 PHE 79 - HE3 LYS 88 far 0 82 0 - 7.6-11.2 HB3 PHE 79 - HE2 LYS 88 far 0 82 0 - 8.8-11.1 HD2 PRO 35 - HE2 LYS 58 far 0 57 0 - 9.3-10.9 HB3 SER 38 - HE2 LYS 58 far 0 56 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 10071 from cnoeabs.peaks (0.55, 4.50, 54.47 ppm; 4.47 A increased from 4.21 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 83 + HA LYS 88 OK 96 96 100 100 4.3-4.4 10073/3.0=85...(21) Violated in 0 structures by 0.00 A. Peak 10072 from cnoeabs.peaks (0.55, 1.39, 35.33 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 83 + HB2 LYS 88 OK 96 96 100 100 2.1-2.7 10565/1.8=80...(21) Violated in 0 structures by 0.00 A. Peak 10073 from cnoeabs.peaks (0.55, 1.69, 35.33 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 83 + HB3 LYS 88 OK 96 96 100 100 1.9-2.2 10565=96, 10072/1.8=62...(18) QD1 ILE 77 - HB VAL 25 far 0 53 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 10074 from cnoeabs.peaks (0.57, 1.20, 24.94 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 83 + HG2 LYS 88 OK 100 100 100 100 2.2-3.8 10075/1.8=74...(21) QD1 ILE 77 + HG13 ILE 23 OK 36 39 100 93 3.2-3.4 8512/2.1=49, 8513/1.8=44...(10) QD1 LEU 83 - HG2 LYS 88 far 0 70 0 - 4.5-5.6 Violated in 0 structures by 0.00 A. Peak 10075 from cnoeabs.peaks (0.56, 1.32, 24.94 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 83 + HG3 LYS 88 OK 100 100 100 100 1.9-3.6 10565/3.0=66...(23) Violated in 0 structures by 0.00 A. Peak 10076 from cnoeabs.peaks (0.79, 1.32, 24.94 ppm; 4.46 A increased from 4.20 A): 1 out of 1 assignment used, quality = 0.95: QG2 ILE 90 + HG3 LYS 88 OK 95 98 100 97 4.0-4.4 10570/10075=73, ~9473=31...(12) Violated in 0 structures by 0.00 A. Peak 10077 from cnoeabs.peaks (1.84, 1.39, 35.33 ppm; 4.90 A increased from 4.61 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 86 + HB2 LYS 88 OK 100 100 100 100 4.4-4.7 10087/1.8=91...(17) HB2 GLN 89 - HB2 LYS 88 far 4 90 5 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 10078 from cnoeabs.peaks (2.26, 1.39, 35.33 ppm; 5.45 A increased from 4.85 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLN 86 + HB2 LYS 88 OK 100 100 100 100 4.9-5.4 10081/3.0=92...(18) HG3 GLN 89 + HB2 LYS 88 OK 50 90 75 75 5.0-7.4 7579/4.4=36, ~10079=19...(8) HG2 GLN 89 + HB2 LYS 88 OK 43 98 55 80 4.9-7.1 7579/4.4=39...(9) HG2 GLN 86 - HB2 LYS 88 far 0 82 0 - 7.3-7.4 HG3 GLU 94 - HB2 LYS 88 far 0 100 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 10079 from cnoeabs.peaks (2.25, 1.69, 35.33 ppm; 5.02 A increased from 4.47 A): 3 out of 6 assignments used, quality = 0.99: HB2 GLN 86 + HB3 LYS 88 OK 96 96 100 100 4.0-4.9 1.8/10087=97...(18) HG2 GLN 89 + HB3 LYS 88 OK 48 100 60 80 4.3-8.2 4.9/7569=58...(8) HG3 GLN 89 + HB3 LYS 88 OK 37 97 50 77 4.3-7.9 4.9/7569=58...(7) HG2 GLN 86 - HB3 LYS 88 far 0 68 0 - 5.8-6.8 HG3 GLU 54 - HB VAL 25 far 0 90 0 - 7.3-7.7 HG3 GLU 94 - HB3 LYS 88 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 10080 from cnoeabs.peaks (2.27, 1.20, 24.94 ppm; 4.26 A): 2 out of 7 assignments used, quality = 1.00: HB2 GLN 86 + HG2 LYS 88 OK 99 99 100 100 2.3-4.3 10081/1.8=86...(21) HG2 GLN 86 + HG2 LYS 88 OK 78 99 80 100 4.5-6.8 3.0/10670=46, ~10081=46...(18) HG3 GLN 89 - HG2 LYS 88 far 0 61 0 - 5.5-8.2 HG2 GLN 89 - HG2 LYS 88 far 0 81 0 - 5.6-8.3 HG3 GLU 94 - HG2 LYS 88 far 0 91 0 - 8.9-11.3 HB3 GLN 49 - HG13 ILE 23 far 0 34 0 - 9.2-9.5 HG2 GLN 72 - HG13 ILE 23 far 0 37 0 - 9.3-9.5 Violated in 1 structures by 0.00 A. Peak 10081 from cnoeabs.peaks (2.27, 1.32, 24.94 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLN 86 + HG3 LYS 88 OK 100 100 100 100 2.4-3.3 1.8/10086=64, 10037=60...(24) HG2 GLN 86 - HG3 LYS 88 far 0 93 0 - 4.8-5.0 HG3 GLN 89 - HG3 LYS 88 far 0 77 0 - 5.8-8.8 HG2 GLN 89 - HG3 LYS 88 far 0 92 0 - 6.2-9.4 HG3 GLU 94 - HG3 LYS 88 far 0 98 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10082 from cnoeabs.peaks (2.26, 1.52, 28.76 ppm; 4.96 A increased from 3.97 A): 3 out of 10 assignments used, quality = 1.00: HB2 GLN 86 + HD2 LYS 88 OK 100 100 100 100 3.3-5.0 10083/3.0=89...(26) HB2 GLN 86 + HD3 LYS 88 OK 100 100 100 100 3.5-5.2 10083/3.0=89...(26) HG2 GLN 86 + HD2 LYS 88 OK 25 82 30 100 4.8-7.2 ~10083=47, ~10081=46...(24) HG2 GLN 89 - HD2 LYS 88 far 0 98 0 - 5.6-9.6 HG3 GLN 89 - HD2 LYS 88 far 0 90 0 - 5.8-10.2 HG2 GLN 86 - HD3 LYS 88 far 0 82 0 - 5.9-7.2 HG2 GLN 89 - HD3 LYS 88 far 0 98 0 - 6.1-9.1 HG3 GLN 89 - HD3 LYS 88 far 0 90 0 - 6.6-9.3 HG3 GLU 94 - HD3 LYS 88 far 0 100 0 - 7.4-9.9 HG3 GLU 94 - HD2 LYS 88 far 0 100 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 10083 from cnoeabs.peaks (2.26, 2.88, 41.89 ppm; 3.54 A increased from 3.33 A): 1 out of 11 assignments used, quality = 0.96: HB2 GLN 86 + HE2 LYS 88 OK 96 100 100 96 3.3-3.4 10081/3.8=41...(20) HB2 GLN 86 - HE3 LYS 88 poor 20 100 20 - 3.3-4.9 HG2 GLN 86 - HE3 LYS 88 far 0 88 0 - 4.6-7.1 HG2 GLN 86 - HE2 LYS 88 far 0 88 0 - 4.7-5.6 HG3 GLU 54 - HE2 LYS 58 far 0 58 0 - 4.7-6.6 HG3 GLU 94 - HE3 LYS 88 far 0 99 0 - 7.5-10.1 HG2 GLN 89 - HE3 LYS 88 far 0 96 0 - 7.6-10.9 HG3 GLN 89 - HE3 LYS 88 far 0 84 0 - 7.6-10.5 HG3 GLN 89 - HE2 LYS 88 far 0 83 0 - 7.7-10.9 HG2 GLN 89 - HE2 LYS 88 far 0 95 0 - 7.8-11.5 HG3 GLU 94 - HE2 LYS 88 far 0 99 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 10084 from cnoeabs.peaks (0.55, 2.88, 41.89 ppm; 3.86 A increased from 3.25 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 83 + HE3 LYS 88 OK 98 99 100 100 2.7-4.3 10075/3.8=50, 10578=47...(17) QD2 LEU 83 + HE2 LYS 88 OK 98 99 100 100 3.5-4.3 10075/3.8=50, 10578=47...(18) Violated in 0 structures by 0.00 A. Peak 10085 from cnoeabs.peaks (0.56, 1.52, 28.76 ppm; 3.53 A increased from 3.14 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 83 + HD2 LYS 88 OK 99 100 100 99 1.9-3.4 10075/3.0=53...(18) QD2 LEU 83 + HD3 LYS 88 OK 50 100 50 99 1.9-4.4 10075/3.0=53...(18) Violated in 0 structures by 0.00 A. Peak 10086 from cnoeabs.peaks (1.85, 1.32, 24.94 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.98: HB3 GLN 86 + HG3 LYS 88 OK 98 98 100 100 2.3-2.8 10038=94, 1.8/10081=85...(22) HB2 GLN 89 - HG3 LYS 88 far 0 97 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 10087 from cnoeabs.peaks (1.83, 1.69, 35.33 ppm; 4.03 A increased from 3.79 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLN 86 + HB3 LYS 88 OK 100 100 100 100 2.8-3.9 10038/3.0=57...(17) HB2 GLN 89 - HB3 LYS 88 far 0 70 0 - 5.5-7.1 HB3 LEU 12 - HB VAL 25 far 0 53 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 10088 from cnoeabs.peaks (1.83, 1.52, 28.76 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.90: HB3 GLN 86 + HD3 LYS 88 OK 80 100 80 100 4.0-5.0 10038/3.0=50...(25) HB3 GLN 86 + HD2 LYS 88 OK 50 100 50 100 3.2-4.8 10038/3.0=50...(25) HB2 GLN 89 - HD2 LYS 88 far 0 77 0 - 7.3-9.6 HB2 GLN 89 - HD3 LYS 88 far 0 77 0 - 7.6-9.1 Violated in 10 structures by 0.03 A. Peak 10089 from cnoeabs.peaks (1.82, 2.88, 41.89 ppm; 4.33 A increased from 4.08 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLN 86 + HE2 LYS 88 OK 98 98 100 100 3.5-4.3 1.8/10083=94...(19) HB3 GLN 86 + HE3 LYS 88 OK 69 99 70 100 3.5-5.3 ~10083=68, 10038/3.8=54...(20) HB2 GLN 89 - HE3 LYS 88 far 0 61 0 - 8.1-10.5 HB3 GLU 56 - HE2 LYS 58 far 0 54 0 - 8.7-10.2 HB2 GLN 89 - HE2 LYS 88 far 0 61 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 10093 from cnoeabs.peaks (2.26, 1.31, 17.65 ppm; 4.09 A increased from 3.85 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLU 94 + QB ALA 93 OK 100 100 100 100 3.6-4.0 10116=91, 1.8/8518=86...(8) HG2 GLN 96 - QB ALA 93 far 0 100 0 - 5.3-5.9 HG2 GLN 89 - QB ALA 93 far 0 98 0 - 8.7-12.2 HG3 GLN 89 - QB ALA 93 far 0 90 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (1.85, 1.31, 17.65 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.91: HB3 GLN 96 + QB ALA 93 OK 91 92 100 99 3.7-4.2 2583/2.1=69, 10137=48...(11) HB2 GLN 89 - QB ALA 93 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10095 from cnoeabs.peaks (3.86, 1.31, 17.65 ppm; 3.95 A increased from 3.72 A): 1 out of 3 assignments used, quality = 0.94: HA GLU 94 + QB ALA 93 OK 94 94 100 100 3.7-3.8 3.0/7179=75, 10111=73...(10) HB3 SER 107 - QB ALA 93 far 0 100 0 - 8.7-13.3 HB2 SER 107 - QB ALA 93 far 0 68 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 10097 from cnoeabs.peaks (7.54, 1.31, 17.65 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: H ALA 95 + QB ALA 93 OK 100 100 100 100 4.2-4.8 7185/7179=91...(6) Violated in 0 structures by 0.00 A. Peak 10099 from cnoeabs.peaks (7.96, 1.31, 17.65 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.99: H GLN 96 + QB ALA 93 OK 99 99 100 100 4.4-4.7 7200/2.1=92, 10135=76...(8) Violated in 0 structures by 0.00 A. Peak 10103 from cnoeabs.peaks (7.10, 2.25, 36.98 ppm; 5.41 A): 0 out of 3 assignments used, quality = 0.00: H LYS 98 - HG3 GLU 94 far 0 100 0 - 7.0-8.2 H LYS 98 - HG3 GLU 101 far 0 48 0 - 8.6-9.2 H LYS 98 - HG2 GLU 101 far 0 50 0 - 9.2-9.9 Violated in 20 structures by 1.49 A. Peak 10111 from cnoeabs.peaks (1.31, 3.87, 58.54 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 93 + HA GLU 94 OK 100 100 100 100 3.7-3.8 10095=94, 7179/3.0=84...(10) HB3 LYS 98 - HA GLU 94 far 0 100 0 - 5.7-7.4 Violated in 0 structures by 0.00 A. Peak 10113 from cnoeabs.peaks (1.32, 2.15, 36.98 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 93 + HG2 GLU 94 OK 100 100 100 100 3.0-3.9 8518=100, 10093/1.8=75...(8) HB3 LYS 98 - HG2 GLU 94 far 0 99 0 - 7.9-9.6 HG3 LYS 88 - HG2 GLU 94 far 0 100 0 - 9.5-10.1 HG LEU 83 - HG2 GLU 94 far 0 71 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10114 from cnoeabs.peaks (0.80, 2.15, 36.98 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.95: QG2 ILE 90 + HG2 GLU 94 OK 95 95 100 100 3.6-3.9 10117/1.8=71...(34) Violated in 0 structures by 0.00 A. Peak 10115 from cnoeabs.peaks (0.67, 2.15, 36.98 ppm; 3.88 A increased from 3.65 A): 1 out of 1 assignment used, quality = 0.99: QD1 ILE 90 + HG2 GLU 94 OK 99 99 100 100 2.9-3.8 10118/1.8=64...(33) Violated in 0 structures by 0.00 A. Peak 10116 from cnoeabs.peaks (1.32, 2.25, 36.98 ppm; 4.22 A increased from 3.97 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 93 + HG3 GLU 94 OK 100 100 100 100 3.6-4.0 10093=100, 8518/1.8=89...(8) HB3 LYS 98 - HG3 GLU 94 far 0 99 0 - 7.5-9.2 HB3 LYS 98 - HG3 GLU 101 far 0 48 0 - 8.2-8.7 HB3 LYS 98 - HG2 GLU 101 far 0 49 0 - 9.3-9.7 HG3 LYS 88 - HG3 GLU 94 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10117 from cnoeabs.peaks (0.80, 2.25, 36.98 ppm; 4.50 A increased from 4.23 A): 1 out of 5 assignments used, quality = 0.95: QG2 ILE 90 + HG3 GLU 94 OK 95 95 100 100 4.2-4.4 10114/1.8=84...(31) QD1 ILE 11 - HG2 GLU 101 far 0 31 0 - 9.2-10.4 QG2 VAL 69 - HG3 GLU 101 far 0 42 0 - 9.2-9.5 QG2 VAL 69 - HG2 GLU 101 far 0 43 0 - 9.5-9.9 QD1 ILE 11 - HG3 GLU 101 far 0 30 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10118 from cnoeabs.peaks (0.68, 2.25, 36.98 ppm; 4.18 A increased from 3.93 A): 1 out of 2 assignments used, quality = 0.92: QD1 ILE 90 + HG3 GLU 94 OK 92 92 100 100 3.9-4.1 10115/1.8=80, 9052=59...(32) QD1 ILE 28 - HG2 GLU 101 far 0 51 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 10123 from cnoeabs.peaks (1.14, 3.47, 55.19 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.98: HB2 LYS 98 + HA ALA 95 OK 98 100 100 99 2.1-3.2 10152=83, 1.8/8523=76...(6) HD3 LYS 98 - HA ALA 95 far 0 82 0 - 4.9-5.8 HB VAL 14 - HA ALA 95 far 0 94 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 10124 from cnoeabs.peaks (0.67, -0.02, 15.59 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 90 + QB ALA 95 OK 98 99 100 99 1.9-3.3 10933=82, 8522/2.1=71...(10) QG2 VAL 21 - QB ALA 95 far 0 82 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 10129 from cnoeabs.peaks (7.68, -0.02, 15.59 ppm; 4.23 A): 3 out of 4 assignments used, quality = 0.99: QD PHE 79 + QB ALA 95 OK 94 100 100 94 3.1-4.5 10133/2.1=54...(10) HE3 TRP 16 + QB ALA 95 OK 66 100 100 66 3.4-4.2 5.1/10927=25...(6) H GLU 94 + QB ALA 95 OK 59 68 100 88 4.3-4.5 7185/2.9=53, 10109=45...(4) H LYS 84 - QB ALA 95 far 0 88 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10130 from cnoeabs.peaks (7.29, -0.02, 15.59 ppm; 3.60 A): 3 out of 7 assignments used, quality = 0.99: QD PHE 99 + QB ALA 95 OK 80 100 100 80 2.4-3.9 10856=39, 10845/11120=27...(9) QE PHE 79 + QB ALA 95 OK 78 99 95 83 2.0-4.6 10685/10124=44...(7) QE PHE 104 + QB ALA 95 OK 71 96 100 75 1.9-2.5 2.2/10131=44...(7) H PHE 99 - QB ALA 95 far 0 61 0 - 4.2-4.8 HE3 TRP 80 - QB ALA 95 far 0 100 0 - 8.4-9.5 HE22 GLN 86 - QB ALA 95 far 0 88 0 - 8.5-9.6 H ASN 20 - QB ALA 95 far 0 96 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10131 from cnoeabs.peaks (6.84, -0.02, 15.59 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.88: HZ PHE 104 + QB ALA 95 OK 88 93 100 95 2.1-3.2 11120=71, 10845/10856=41...(10) HZ2 TRP 80 - QB ALA 95 far 0 75 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10132 from cnoeabs.peaks (7.10, 3.47, 55.19 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.99: H LYS 98 + HA ALA 95 OK 99 99 100 100 3.2-3.6 10150=98, 7247/10123=70 Violated in 0 structures by 0.00 A. Peak 10133 from cnoeabs.peaks (7.69, 3.47, 55.19 ppm; 4.98 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 79 + HA ALA 95 OK 97 100 100 97 4.5-4.9 10838/2.1=55...(10) HE3 TRP 16 - HA ALA 95 far 0 99 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 10136 from cnoeabs.peaks (1.31, 1.72, 28.40 ppm; 5.50 A increased from 5.18 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 93 + HB2 GLN 96 OK 100 100 100 100 4.5-5.2 10094/1.8=99...(10) HB3 LYS 98 - HB2 GLN 96 far 0 100 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 10137 from cnoeabs.peaks (1.33, 1.87, 28.40 ppm; 5.14 A): 1 out of 3 assignments used, quality = 0.93: QB ALA 93 + HB3 GLN 96 OK 93 93 100 100 3.7-4.2 2.1/2583=98, 10094=85...(11) HB3 LYS 98 - HB3 GLN 96 far 0 91 0 - 6.6-7.3 HD3 LYS 58 - HB2 GLU 56 far 0 23 0 - 6.6-8.6 Violated in 0 structures by 0.00 A. Peak 10143 from cnoeabs.peaks (7.28, 3.81, 56.41 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.93: H PHE 99 + HA LYS 98 OK 93 93 100 100 3.5-3.6 3.6=100 QD PHE 99 - HA LYS 98 far 0 85 0 - 5.0-5.4 QE PHE 79 - HA LYS 98 far 0 77 0 - 5.8-7.3 HZ PHE 79 - HA LYS 98 far 0 82 0 - 6.2-8.0 QE PHE 104 - HA LYS 98 far 0 68 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 10144 from cnoeabs.peaks (7.28, 1.15, 32.12 ppm; 3.97 A increased from 3.53 A): 3 out of 6 assignments used, quality = 0.97: H PHE 99 + HB2 LYS 98 OK 81 82 100 98 3.3-3.8 4.2=87, 10142/7247=54...(9) QD PHE 99 + HB2 LYS 98 OK 71 95 75 99 4.2-4.8 10731/1.8=58...(23) QE PHE 79 + HB2 LYS 98 OK 53 90 85 69 3.9-5.5 8521/10123=20...(12) HZ PHE 79 - HB2 LYS 98 far 7 68 10 - 4.1-5.7 QE PHE 104 - HB2 LYS 98 far 0 82 0 - 5.3-6.3 HE22 GLN 86 - HB2 LYS 98 far 0 98 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 10145 from cnoeabs.peaks (7.29, 1.31, 32.12 ppm; 3.48 A): 2 out of 5 assignments used, quality = 0.98: QD PHE 99 + HB3 LYS 98 OK 93 97 100 96 2.7-3.2 10731=41, 10148/3.5=37...(22) H PHE 99 + HB3 LYS 98 OK 70 77 100 91 2.4-2.9 4.2=58, 10142/7248=40...(9) QE PHE 79 - HB3 LYS 98 far 0 93 0 - 4.1-5.0 QE PHE 104 - HB3 LYS 98 far 0 87 0 - 4.7-5.3 HZ PHE 79 - HB3 LYS 98 far 0 61 0 - 5.1-5.9 Violated in 0 structures by 0.00 A. Peak 10146 from cnoeabs.peaks (7.28, 0.25, 23.77 ppm; 4.84 A): 4 out of 6 assignments used, quality = 1.00: QD PHE 99 + HG2 LYS 98 OK 95 95 100 100 3.6-5.2 10148/3.0=73...(21) H PHE 99 + HG2 LYS 98 OK 82 82 100 100 4.3-5.3 4.8=100 QE PHE 79 + HG2 LYS 98 OK 75 90 100 84 2.7-4.5 ~10700=23, 10508/3.0=23...(11) HZ PHE 79 + HG2 LYS 98 OK 43 68 100 64 3.4-5.1 ~10508=17, ~10508=16...(8) QE PHE 104 - HG2 LYS 98 far 0 82 0 - 6.3-7.5 HE22 GLN 86 - HG2 LYS 98 far 0 98 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 10147 from cnoeabs.peaks (7.29, 0.87, 27.70 ppm; 4.61 A increased from 4.10 A): 3 out of 5 assignments used, quality = 1.00: QD PHE 99 + HD2 LYS 98 OK 99 99 100 100 3.1-4.8 10148/1.8=88...(21) H PHE 99 + HD2 LYS 98 OK 68 70 100 98 4.3-4.8 3.6/2692=66...(10) QE PHE 79 + HD2 LYS 98 OK 52 96 60 91 3.8-6.2 10508=31, ~10700=25...(13) QE PHE 104 - HD2 LYS 98 far 0 92 0 - 6.0-7.8 HE22 GLN 86 - HD2 LYS 98 far 0 93 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 10148 from cnoeabs.peaks (7.30, 1.11, 27.70 ppm; 4.09 A increased from 3.85 A): 1 out of 7 assignments used, quality = 0.89: QD PHE 99 + HD3 LYS 98 OK 89 100 90 99 3.3-5.4 10731/3.5=47...(23) QE PHE 79 - HD3 LYS 98 far 10 100 10 - 4.1-6.0 HZ PHE 10 - HG3 ARG 66 far 0 45 0 - 6.2-9.0 QE PHE 104 - HD3 LYS 98 far 0 98 0 - 6.4-8.2 HZ2 TRP 48 - HG3 ARG 66 far 0 45 0 - 7.4-10.1 HE22 GLN 86 - HD3 LYS 98 far 0 82 0 - 8.5-11.0 HE3 TRP 60 - HG3 ARG 66 far 0 55 0 - 8.9-11.5 Violated in 2 structures by 0.12 A. Peak 10149 from cnoeabs.peaks (7.29, 2.44, 41.65 ppm; 4.12 A): 4 out of 13 assignments used, quality = 0.91: QE PHE 79 + HE2 LYS 98 OK 59 99 80 75 3.3-5.4 2.2/10701=27, ~10701=21...(10) QE PHE 79 + HE3 LYS 98 OK 49 98 65 76 3.4-5.8 2.2/10701=29, ~10701=20...(10) HZ PHE 10 + HB2 ASP 65 OK 41 53 100 76 3.9-4.3 3.8/10728=33...(6) QD PHE 99 + HE3 LYS 98 OK 29 100 30 98 4.0-6.1 10148/3.0=61...(19) QD PHE 99 - HE2 LYS 98 far 10 100 10 - 4.1-5.9 H PHE 99 - HE2 LYS 98 far 0 61 0 - 5.1-6.7 H PHE 99 - HE3 LYS 98 far 0 61 0 - 5.8-6.6 HH2 TRP 60 - HB2 ASP 65 far 0 37 0 - 6.5-7.1 HE3 TRP 60 - HB2 ASP 65 far 0 69 0 - 6.9-7.3 HE22 GLN 86 - HE2 LYS 98 far 0 88 0 - 7.2-9.7 HE22 GLN 86 - HE3 LYS 98 far 0 88 0 - 7.4-9.7 QE PHE 104 - HE2 LYS 98 far 0 96 0 - 7.5-8.9 QE PHE 104 - HE3 LYS 98 far 0 95 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 10152 from cnoeabs.peaks (3.45, 1.15, 32.12 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.84: HA ALA 95 + HB2 LYS 98 OK 84 85 100 98 2.1-3.2 10123=85, 8523/1.8=65...(6) HB3 TRP 80 - HB2 LYS 98 far 0 87 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 10154 from cnoeabs.peaks (3.47, 1.31, 32.12 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 95 + HB3 LYS 98 OK 100 100 100 100 2.4-3.2 8523=99, 10123/1.8=79...(5) HB3 TRP 80 - HB3 LYS 98 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 10156 from cnoeabs.peaks (3.12, 7.31, 132.56 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 99 + QD PHE 99 OK 100 100 100 100 2.5-2.6 2.7=100 HB3 ASN 71 - QD PHE 99 far 0 98 0 - 8.1-9.2 HB2 TRP 16 - QD PHE 99 far 0 95 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 10157 from cnoeabs.peaks (3.02, 7.31, 132.56 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 99 + QD PHE 99 OK 100 100 100 100 2.3-2.3 2.7=100 Violated in 0 structures by 0.00 A. Peak 10159 from cnoeabs.peaks (1.96, 5.11, 54.68 ppm; 4.25 A increased from 3.77 A): 2 out of 6 assignments used, quality = 1.00: HG2 PRO 100 + HA PHE 99 OK 100 100 100 100 4.1-4.1 2.3/2778=93, 2.3/2776=92...(12) HG3 PRO 100 + HA PHE 99 OK 100 100 100 100 4.4-4.5 2.3/2778=93, 2.3/2776=92...(11) HB3 GLU 101 - HA PHE 99 far 0 98 0 - 5.4-5.6 HB3 PRO 100 - HA PHE 99 far 0 65 0 - 5.4-5.5 HB2 GLN 72 - HA PHE 99 far 0 71 0 - 5.9-6.3 HB2 GLU 94 - HA PHE 99 far 0 91 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10160 from cnoeabs.peaks (0.88, 5.11, 54.68 ppm; 4.78 A increased from 4.50 A): 1 out of 5 assignments used, quality = 0.93: HD2 LYS 98 + HA PHE 99 OK 93 96 100 98 4.4-4.7 ~10148=54, ~10731=32...(16) QG2 VAL 103 - HA PHE 99 far 0 98 0 - 8.0-8.6 QG2 ILE 11 - HA PHE 99 far 0 73 0 - 8.6-9.2 QD1 LEU 12 - HA PHE 99 far 0 63 0 - 8.8-9.3 QG1 VAL 103 - HA PHE 99 far 0 98 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 10161 from cnoeabs.peaks (0.85, 7.31, 132.56 ppm; 4.68 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 98 + QD PHE 99 OK 97 97 100 100 3.1-4.8 1.8/10148=90...(22) QG2 VAL 102 + QD PHE 99 OK 94 94 100 100 2.5-3.2 8844=93, 10216/2.7=85...(18) QD1 LEU 12 - QD PHE 99 far 0 98 0 - 7.0-7.4 QG1 VAL 103 - QD PHE 99 far 0 94 0 - 7.8-8.7 QG2 ILE 11 - QD PHE 99 far 0 99 0 - 8.3-8.7 QG1 VAL 69 - QD PHE 99 far 0 62 0 - 9.3-9.7 QG2 VAL 25 - QD PHE 99 far 0 99 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 10162 from cnoeabs.peaks (2.21, 7.31, 132.56 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.85: HB VAL 102 + QD PHE 99 OK 85 85 100 100 3.7-4.1 2.1/8844=95, ~10216=85...(16) HG3 GLN 96 - QD PHE 99 far 0 97 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 10163 from cnoeabs.peaks (2.21, 3.12, 39.70 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.93: HB VAL 102 + HB3 PHE 99 OK 93 93 100 100 2.0-3.4 2.1/10164=98...(16) HG3 GLN 96 - HB3 PHE 99 far 0 99 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 10164 from cnoeabs.peaks (0.86, 3.12, 39.70 ppm; 4.02 A): 1 out of 8 assignments used, quality = 0.87: QG2 VAL 102 + HB3 PHE 99 OK 87 87 100 100 1.8-1.9 10216=82, 8844/2.7=70...(18) HD2 LYS 98 - HB3 PHE 99 far 0 100 0 - 5.3-6.5 QG2 VAL 103 - HB3 PHE 99 far 0 73 0 - 6.4-7.5 QD1 LEU 12 - HB3 PHE 99 far 0 95 0 - 7.0-7.2 QG1 VAL 103 - HB3 PHE 99 far 0 99 0 - 7.2-8.7 QG2 ILE 11 - HB3 PHE 99 far 0 98 0 - 7.5-7.9 QG1 VAL 69 - HB3 PHE 99 far 0 79 0 - 9.1-9.5 QG2 VAL 25 - HB3 PHE 99 far 0 96 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 10166 from cnoeabs.peaks (0.85, 3.02, 39.70 ppm; 4.65 A): 2 out of 6 assignments used, quality = 0.99: QG2 VAL 102 + HB2 PHE 99 OK 98 98 100 100 2.1-3.4 10216/1.8=96, 10712=95...(17) HD2 LYS 98 + HB2 PHE 99 OK 57 96 60 99 4.7-6.2 ~10148=55, 10161/2.7=38...(17) QG1 VAL 103 - HB2 PHE 99 far 0 92 0 - 7.1-8.0 QD1 LEU 12 - HB2 PHE 99 far 0 100 0 - 7.3-8.2 QG2 ILE 11 - HB2 PHE 99 far 0 100 0 - 7.9-8.5 QG2 VAL 25 - HB2 PHE 99 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10167 from cnoeabs.peaks (0.27, 5.11, 54.68 ppm; 5.12 A increased from 4.82 A): 1 out of 2 assignments used, quality = 0.87: QG2 VAL 76 + HA PHE 99 OK 87 88 100 98 4.5-4.9 10168/3.0=52...(9) HG2 LYS 98 - HA PHE 99 far 5 93 5 - 5.5-6.3 Violated in 0 structures by 0.00 A. Peak 10168 from cnoeabs.peaks (0.30, 7.31, 132.56 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 76 + QD PHE 99 OK 99 99 100 100 2.2-2.7 2393/9921=75...(25) QG1 VAL 21 - QD PHE 99 far 0 98 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 10169 from cnoeabs.peaks (7.29, 3.27, 49.86 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.95: QD PHE 99 + HD2 PRO 100 OK 78 97 80 100 3.7-4.8 3.0/2776=79, 4.5=78...(15) H PHE 99 + HD2 PRO 100 OK 77 77 100 100 4.0-4.4 3.0/2776=80, 4.8=65...(11) QE PHE 104 - HD2 PRO 100 far 0 87 0 - 6.1-6.7 QE PHE 79 - HD2 PRO 100 far 0 93 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 10170 from cnoeabs.peaks (7.29, 3.63, 49.86 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.96: QD PHE 99 + HD3 PRO 100 OK 82 97 85 100 3.5-4.9 3.0/2778=79, 4.5=76...(16) H PHE 99 + HD3 PRO 100 OK 77 77 100 100 3.6-4.6 3.0/2778=80, 4.8=63...(13) QE PHE 104 - HD3 PRO 100 far 0 87 0 - 6.0-6.9 QE PHE 79 - HD3 PRO 100 far 0 93 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 10171 from cnoeabs.peaks (7.90, 4.50, 64.48 ppm; 4.03 A): 0 out of 1 assignment used, quality = 0.00: HE21 GLN 96 - HA PRO 100 far 0 97 0 - 4.9-6.5 Violated in 20 structures by 1.59 A. Peak 10172 from cnoeabs.peaks (7.77, 4.50, 64.48 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.88: H VAL 102 + HA PRO 100 OK 88 100 100 88 3.6-3.7 7268/3.5=84, 7273/3.8=25 Violated in 0 structures by 0.00 A. Peak 10173 from cnoeabs.peaks (7.63, 4.50, 64.48 ppm; 3.41 A): 0 out of 1 assignment used, quality = 0.00: HE22 GLN 96 - HA PRO 100 far 0 99 0 - 5.1-7.4 Violated in 20 structures by 2.59 A. Peak 10175 from cnoeabs.peaks (7.65, 2.37, 32.06 ppm; 4.70 A): 0 out of 1 assignment used, quality = 0.00: HE22 GLN 96 - HB2 PRO 100 far 0 98 0 - 7.1-9.5 Violated in 20 structures by 3.34 A. Peak 10177 from cnoeabs.peaks (7.17, 3.63, 49.86 ppm; 4.90 A): 0 out of 1 assignment used, quality = 0.00: QD PHE 104 - HD3 PRO 100 far 0 100 0 - 7.8-8.8 Violated in 20 structures by 3.68 A. Peak 10178 from cnoeabs.peaks (7.29, 1.99, 32.06 ppm; 4.54 A): 5 out of 11 assignments used, quality = 0.85: HH2 TRP 60 + HB3 GLN 27 OK 36 42 100 85 3.3-3.7 9011/3.0=27...(10) HH2 TRP 60 + HB2 GLN 27 OK 34 40 100 85 2.1-2.5 9011/3.0=27...(10) QE PHE 10 + HB3 GLN 27 OK 30 32 95 99 4.1-5.2 ~9015=47, ~10284=40...(17) QE PHE 10 + HB2 GLN 27 OK 30 30 100 99 3.0-3.6 ~9015=47, ~10284=40...(17) HZ PHE 10 + HB2 GLN 27 OK 29 35 100 83 4.3-4.9 ~10929=30, 3.8/10179=25...(8) HZ PHE 10 - HB3 GLN 27 far 0 37 0 - 5.8-6.7 HE3 TRP 60 - HB2 GLN 27 far 0 55 0 - 6.1-6.6 H PHE 99 - HB3 PRO 100 far 0 77 0 - 6.6-6.9 QD PHE 99 - HB3 PRO 100 far 0 97 0 - 7.0-7.2 QE PHE 104 - HB3 PRO 100 far 0 87 0 - 7.5-7.9 HE3 TRP 60 - HB3 GLN 27 far 0 57 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 10179 from cnoeabs.peaks (7.04, 1.99, 32.06 ppm; 4.85 A): 2 out of 9 assignments used, quality = 0.84: QD PHE 10 + HB3 GLN 27 OK 61 61 100 100 3.8-4.8 9015/3.0=84...(19) QD PHE 10 + HB2 GLN 27 OK 58 58 100 100 3.0-3.5 9015/3.0=84...(20) HE22 GLN 72 - HB3 PRO 100 far 0 88 0 - 8.0-8.4 QE PHE 99 - HB3 PRO 100 far 0 99 0 - 8.9-9.3 H LYS 58 - HB2 GLN 27 far 0 42 0 - 9.4-9.8 HD21 ASN 68 - HB2 GLN 27 far 0 52 0 - 9.5-10.2 QE PHE 40 - HB3 GLN 27 far 0 43 0 - 9.6-10.4 HD21 ASN 68 - HB3 PRO 100 far 0 95 0 - 9.7-10.3 H LYS 58 - HB3 GLN 27 far 0 44 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10180 from cnoeabs.peaks (7.30, 1.96, 27.17 ppm; 5.72 A increased from 5.08 A): 2 out of 4 assignments used, quality = 1.00: QD PHE 99 + HG2 PRO 100 OK 100 100 100 100 5.4-5.7 ~2778=77, ~2776=76...(18) QD PHE 99 + HG3 PRO 100 OK 100 100 100 100 6.1-6.2 ~2778=77, ~2776=76...(15) QE PHE 104 - HG2 PRO 100 far 0 98 0 - 7.5-8.1 QE PHE 104 - HG3 PRO 100 far 0 98 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 10181 from cnoeabs.peaks (7.65, 1.99, 32.06 ppm; 4.72 A): 0 out of 1 assignment used, quality = 0.00: HE22 GLN 96 - HB3 PRO 100 far 0 100 0 - 7.8-9.9 Violated in 20 structures by 3.87 A. Peak 10184 from cnoeabs.peaks (5.09, 4.50, 64.48 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.96: HA PHE 99 + HA PRO 100 OK 96 96 100 100 4.5-4.6 4.8=100 Violated in 0 structures by 0.00 A. Peak 10186 from cnoeabs.peaks (5.10, 1.96, 27.17 ppm; 4.19 A increased from 3.53 A): 2 out of 2 assignments used, quality = 1.00: HA PHE 99 + HG2 PRO 100 OK 98 99 100 100 4.1-4.1 2778/2.3=89, 2776/2.3=88...(12) HA PHE 99 + HG3 PRO 100 OK 98 99 100 100 4.4-4.5 2778/2.3=89, 2776/2.3=88...(11) Violated in 0 structures by 0.00 A. Peak 10191 from cnoeabs.peaks (3.12, 3.27, 49.86 ppm; 4.79 A increased from 4.26 A): 1 out of 1 assignment used, quality = 0.99: HB3 PHE 99 + HD2 PRO 100 OK 99 100 100 99 4.0-4.7 4.8=99 Violated in 0 structures by 0.00 A. Peak 10192 from cnoeabs.peaks (9.46, 2.35, 29.35 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: H GLN 81 + HB2 GLN 81 OK 100 100 100 100 2.2-3.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 10193 from cnoeabs.peaks (8.45, 2.35, 29.35 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.98: H ASP 82 + HB2 GLN 81 OK 98 98 100 100 3.6-4.2 4.6=100 H ASN 78 - HB2 GLN 81 far 0 100 0 - 5.6-7.4 H THR 74 - HB2 GLU 101 far 0 85 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 10194 from cnoeabs.peaks (7.31, 2.35, 29.35 ppm; 5.22 A): 2 out of 9 assignments used, quality = 1.00: HE3 TRP 80 + HB2 GLN 81 OK 99 100 100 99 2.3-3.5 10933/1.8=63...(8) HE22 GLN 81 + HB2 GLN 81 OK 82 82 100 100 3.3-5.3 4.6=100 HH2 TRP 42 - HB2 GLN 81 lone 1 77 70 1 5.0-6.5 QD PHE 99 - HB2 GLU 101 far 0 100 0 - 6.2-6.9 HZ3 TRP 42 - HB2 GLN 81 far 0 77 0 - 7.2-8.6 QE PHE 104 - HB2 GLU 101 far 0 100 0 - 8.3-8.9 QE PHE 79 - HB2 GLN 81 far 0 100 0 - 8.7-9.5 HE22 GLN 86 - HB2 GLN 81 far 0 69 0 - 8.9-9.4 H ASN 20 - HB2 GLN 81 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 10204 from cnoeabs.peaks (0.85, 4.42, 56.12 ppm; 4.43 A increased from 3.94 A): 1 out of 5 assignments used, quality = 0.99: QG2 VAL 102 + HA GLU 101 OK 99 99 100 100 4.1-4.3 8525/3.0=76...(8) QG2 ILE 11 - HA GLU 101 lone 1 100 100 1 4.1-4.6 QG1 VAL 103 - HA GLU 101 far 0 88 0 - 6.5-7.8 QD1 LEU 12 - HA GLU 101 far 0 100 0 - 7.3-7.7 QG2 VAL 25 - HA GLU 101 far 0 100 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 10205 from cnoeabs.peaks (0.85, 2.35, 29.35 ppm; 4.44 A): 1 out of 9 assignments used, quality = 0.96: QG2 VAL 102 + HB2 GLU 101 OK 96 96 100 100 4.1-4.4 10206/3.0=68...(9) QG2 ILE 11 - HB2 GLU 101 poor 20 100 20 - 4.9-5.3 HB2 LYS 84 - HB2 GLN 81 far 5 95 5 - 4.2-7.1 QG1 VAL 69 - HB2 GLU 101 far 0 61 0 - 5.7-6.2 QD1 LEU 12 - HB2 GLU 101 far 0 99 0 - 6.7-7.3 QG2 VAL 25 - HB2 GLU 101 far 0 100 0 - 7.5-8.0 QG1 VAL 103 - HB2 GLU 101 far 0 95 0 - 7.5-9.2 QD1 LEU 17 - HB2 GLN 81 far 0 94 0 - 9.6-10.6 QD1 LEU 51 - HB2 GLU 101 far 0 100 0 - 9.9-10.5 Violated in 1 structures by 0.00 A. Peak 10206 from cnoeabs.peaks (0.84, 2.28, 36.59 ppm; 3.92 A increased from 3.69 A): 1 out of 13 assignments used, quality = 0.94: QG2 VAL 102 + HG3 GLU 101 OK 94 100 100 94 3.7-3.9 10205/3.0=47...(8) QG2 VAL 102 - HG2 GLU 101 far 0 100 0 - 4.7-4.9 QG2 ILE 11 - HG2 GLU 101 far 0 99 0 - 6.4-6.9 QG2 ILE 11 - HG3 GLU 101 far 0 99 0 - 6.9-7.3 QD1 LEU 12 - HG3 GLU 101 far 0 100 0 - 7.7-8.1 HD2 LYS 98 - HG3 GLU 101 far 0 84 0 - 8.0-8.5 QD1 LEU 12 - HG2 GLU 101 far 0 100 0 - 8.5-8.9 QG1 VAL 103 - HG3 GLU 101 far 0 77 0 - 8.6-10.0 QG1 VAL 103 - HG2 GLU 101 far 0 77 0 - 8.7-10.0 HD2 LYS 98 - HG3 GLU 94 far 0 37 0 - 9.1-10.7 HD2 LYS 98 - HG2 GLU 101 far 0 84 0 - 9.1-9.7 QG2 VAL 25 - HG3 GLU 101 far 0 100 0 - 9.2-9.7 QG2 VAL 25 - HG2 GLU 101 far 0 100 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (1.52, 0.23, 22.37 ppm; 5.49 A): 2 out of 8 assignments used, quality = 1.00: QB ALA 73 + QG1 VAL 102 OK 99 99 100 100 4.4-4.8 9904/8505=83, ~10711=75...(12) HG LEU 12 + QG1 VAL 102 OK 98 98 100 100 2.6-3.0 2.1/8526=100, ~10212=88...(18) HD2 LYS 13 - QG1 VAL 102 poor 16 61 60 43 5.6-7.3 5.8/10220=17...(6) HD3 LYS 13 - QG1 VAL 102 far 0 61 0 - 6.6-7.3 HG LEU 109 - QG1 VAL 102 far 0 93 0 - 7.4-16.4 HB3 LEU 109 - QG1 VAL 102 far 0 59 0 - 7.7-16.9 HB2 LEU 109 - QG1 VAL 102 far 0 59 0 - 8.3-16.4 HB3 LEU 51 - QG1 VAL 102 far 0 73 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 10208 from cnoeabs.peaks (1.86, 0.23, 22.37 ppm; 4.49 A): 3 out of 4 assignments used, quality = 1.00: HB3 LEU 12 + QG1 VAL 102 OK 100 100 100 100 3.3-3.6 3.1/8526=75, 1.8/8769=63...(16) HB VAL 76 + QG1 VAL 102 OK 97 97 100 100 3.4-3.7 2.1/8505=100...(11) HB VAL 103 + QG1 VAL 102 OK 81 99 85 97 3.9-5.2 2900/2888=61...(8) HB3 GLN 96 - QG1 VAL 102 far 0 98 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 10209 from cnoeabs.peaks (1.12, 2.19, 33.09 ppm; 4.60 A): 3 out of 9 assignments used, quality = 1.00: HB VAL 14 + HB VAL 102 OK 99 100 100 100 4.1-4.6 ~8095=70, ~8527=66...(10) QG2 THR 8 + HG3 GLN 27 OK 72 72 100 100 2.0-3.9 8693=73, 8168/6339=71...(11) QD1 LEU 36 + HG3 GLN 27 OK 68 68 100 100 3.9-4.3 9164=69, 8254/1.8=62...(22) HD3 LYS 98 - HB VAL 102 far 0 100 0 - 6.7-9.5 HB2 LYS 98 - HB VAL 102 far 0 75 0 - 7.3-8.4 HG2 LYS 13 - HB VAL 102 far 0 71 0 - 7.7-8.7 HG3 LYS 13 - HB VAL 102 far 0 71 0 - 7.8-10.1 HG3 LYS 13 - HG3 GLN 27 far 0 70 0 - 9.3-10.6 HG2 LYS 13 - HG3 GLN 27 far 0 70 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 10210 from cnoeabs.peaks (0.12, 0.84, 22.84 ppm; 3.94 A increased from 3.71 A): 1 out of 4 assignments used, quality = 0.82: QD1 LEU 15 + QD2 LEU 17 OK 82 84 100 97 3.8-3.8 ~11251=39, 2.1/408=32...(18) QB ALA 22 - QD2 LEU 17 far 8 81 10 - 4.5-5.1 QB ALA 22 - QG2 VAL 102 far 0 99 0 - 8.8-9.3 QD1 LEU 15 - QG2 VAL 102 far 0 100 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 10211 from cnoeabs.peaks (0.30, 0.84, 22.84 ppm; 3.11 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 76 + QG2 VAL 102 OK 99 100 100 99 1.8-1.9 8505/2.1=80, 8503=48...(17) QG1 VAL 21 - QD2 LEU 17 far 0 80 0 - 6.4-6.9 QG1 VAL 21 - QG2 VAL 102 far 0 99 0 - 7.8-8.2 QD2 LEU 55 - QG2 VAL 102 far 0 71 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 10212 from cnoeabs.peaks (0.63, 0.84, 22.84 ppm; 3.11 A): 1 out of 5 assignments used, quality = 0.99: QD2 LEU 12 + QG2 VAL 102 OK 99 100 100 99 1.7-1.8 8073/2.1=50, 238=48...(27) QD1 ILE 90 - QG2 VAL 102 far 0 73 0 - 7.6-8.5 QD1 LEU 83 - QD2 LEU 17 far 0 63 0 - 7.7-9.6 QD1 LEU 83 - QG2 VAL 102 far 0 82 0 - 8.0-9.0 QD1 ILE 90 - QD2 LEU 17 far 0 55 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 10213 from cnoeabs.peaks (1.19, 0.84, 22.84 ppm; 3.54 A): 0 out of 6 assignments used, quality = 0.00: HB2 LEU 12 - QG2 VAL 102 far 0 99 0 - 4.5-4.8 HB3 LEU 15 - QD2 LEU 17 far 0 53 0 - 4.6-5.0 HD2 LYS 84 - QD2 LEU 17 far 0 82 0 - 8.2-11.7 HG13 ILE 23 - QG2 VAL 102 far 0 63 0 - 8.5-8.9 HG2 LYS 84 - QD2 LEU 17 far 0 78 0 - 9.4-12.1 HB3 LEU 15 - QG2 VAL 102 far 0 71 0 - 9.8-10.1 Violated in 20 structures by 0.69 A. Peak 10215 from cnoeabs.peaks (2.27, 0.84, 22.84 ppm; 3.49 A): 3 out of 10 assignments used, quality = 1.00: HB3 GLN 72 + QG2 VAL 102 OK 95 99 100 95 3.2-3.5 8476/10212=42, 9863=41...(13) HG3 GLU 101 + QG2 VAL 102 OK 92 98 100 95 3.7-3.9 10206=69, 3.0/10205=37...(8) HG2 GLN 72 + QG2 VAL 102 OK 79 87 100 91 3.0-3.3 9880/10212=38...(10) HB2 GLU 75 - QG2 VAL 102 poor 16 100 20 78 4.0-4.3 10501/10211=49, 9863=29...(7) HG2 GLU 101 - QG2 VAL 102 far 0 98 0 - 4.7-4.9 HB2 GLN 19 - QD2 LEU 17 far 0 82 0 - 4.9-6.3 HB3 GLU 75 - QG2 VAL 102 far 0 100 0 - 5.2-5.5 HG2 GLN 96 - QG2 VAL 102 far 0 100 0 - 7.2-7.7 HG2 GLN 89 - QD2 LEU 17 far 0 67 0 - 8.8-13.3 HG3 GLN 89 - QD2 LEU 17 far 0 52 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 10216 from cnoeabs.peaks (3.10, 0.84, 22.84 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.95: HB3 PHE 99 + QG2 VAL 102 OK 95 96 100 99 1.8-1.9 1.8/10712=60, 10164=53...(18) HB2 TRP 16 - QD2 LEU 17 far 0 53 0 - 5.1-6.0 HB3 ASN 71 - QG2 VAL 102 far 0 99 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 10217 from cnoeabs.peaks (3.10, 0.23, 22.37 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.92: HB3 PHE 99 + QG1 VAL 102 OK 92 92 100 100 3.5-4.2 10216/2.1=100, ~10712=79...(19) HB2 TRP 16 - QG1 VAL 102 far 0 63 0 - 8.2-8.6 HB3 ASN 71 - QG1 VAL 102 far 0 98 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 10219 from cnoeabs.peaks (8.55, 0.23, 22.37 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.99: H VAL 14 + QG1 VAL 102 OK 99 100 100 100 2.6-3.0 352/8095=85, 4.0/8528=66...(12) Violated in 0 structures by 0.00 A. Peak 10220 from cnoeabs.peaks (8.87, 0.23, 22.37 ppm; 4.99 A): 3 out of 5 assignments used, quality = 1.00: H GLU 101 + QG1 VAL 102 OK 98 98 100 100 5.5-5.6 8525/2.1=96, 7268/4.0=83...(7) H LYS 13 + QG1 VAL 102 OK 96 97 100 99 4.3-4.7 6116/8526=62...(11) H LEU 15 + QG1 VAL 102 OK 78 84 95 99 5.2-5.6 4.2/8095=79...(5) H SER 105 - QG1 VAL 102 far 0 100 0 - 6.1-6.4 H TRP 80 - QG1 VAL 102 far 0 96 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 10221 from cnoeabs.peaks (8.54, 0.90, 21.00 ppm; 4.16 A increased from 3.70 A): 2 out of 4 assignments used, quality = 0.80: H VAL 14 + QG1 VAL 103 OK 61 62 100 98 1.8-4.0 8531/2.1=74...(11) H VAL 14 + QG2 VAL 103 OK 48 100 50 97 3.6-5.1 8531/2.1=74, 8810=38...(9) H ILE 28 - QG2 VAL 103 far 0 94 0 - 7.5-8.5 H ILE 28 - QG1 VAL 103 far 0 55 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 10222 from cnoeabs.peaks (7.64, 0.90, 21.00 ppm; 5.19 A increased from 4.61 A): 2 out of 4 assignments used, quality = 0.93: HE22 GLN 96 + QG2 VAL 103 OK 85 100 100 85 4.2-5.7 11264/3.2=63, ~10728=51...(5) HE22 GLN 96 + QG1 VAL 103 OK 55 64 100 86 3.6-5.2 11264/3.2=63, ~10728=51...(5) HD21 ASN 108 - QG1 VAL 103 far 0 64 0 - 6.5-14.9 HD21 ASN 108 - QG2 VAL 103 far 0 100 0 - 8.0-17.5 Violated in 0 structures by 0.00 A. Peak 10226 from cnoeabs.peaks (0.24, 0.90, 21.00 ppm; 4.32 A increased from 3.84 A): 2 out of 2 assignments used, quality = 0.95: QG1 VAL 102 + QG2 VAL 103 OK 91 97 100 93 3.5-4.3 3.2/8587=68, 2888/3.9=55...(8) QG1 VAL 102 + QG1 VAL 103 OK 50 58 100 86 3.3-4.6 2888/3.9=55, ~8587=40...(6) Violated in 0 structures by 0.00 A. Peak 10228 from cnoeabs.peaks (5.16, 1.87, 32.73 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 13 + HB VAL 103 OK 99 99 100 100 1.8-4.1 3.6/8531=61...(15) Violated in 0 structures by 0.00 A. Peak 10229 from cnoeabs.peaks (5.25, 1.87, 32.73 ppm; 4.88 A increased from 4.34 A): 1 out of 1 assignment used, quality = 1.00: HA PHE 104 + HB VAL 103 OK 100 100 100 100 4.4-4.9 10233/2.1=86...(9) Violated in 2 structures by 0.01 A. Peak 10230 from cnoeabs.peaks (5.17, 0.90, 21.00 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.97: HA LYS 13 + QG2 VAL 103 OK 94 95 100 99 1.9-4.1 10228/2.1=72...(17) HA LYS 13 + QG1 VAL 103 OK 56 56 100 99 1.7-3.3 10228/2.1=72...(19) Violated in 0 structures by 0.00 A. Peak 10231 from cnoeabs.peaks (5.27, 0.90, 21.00 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.50: HA PHE 104 + QG1 VAL 103 OK 50 51 100 98 3.2-4.0 10229/2.1=54, ~8530=34...(15) HA PHE 104 - QG2 VAL 103 far 0 90 0 - 5.3-5.5 HA THR 33 - QG2 VAL 103 far 0 92 0 - 7.6-8.6 HA THR 33 - QG1 VAL 103 far 0 53 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 10232 from cnoeabs.peaks (5.18, 0.87, 20.65 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.92: HA LYS 13 + QG1 VAL 103 OK 85 85 100 100 1.7-3.3 10228/2.1=66...(19) HA LYS 13 + QG2 VAL 103 OK 47 48 100 99 1.9-4.1 10228/2.1=66...(18) Violated in 0 structures by 0.00 A. Peak 10233 from cnoeabs.peaks (5.27, 0.87, 20.65 ppm; 4.00 A): 1 out of 6 assignments used, quality = 0.92: HA PHE 104 + QG1 VAL 103 OK 92 94 100 98 3.2-4.0 10229/2.1=47...(15) HA PHE 104 - QG2 VAL 103 far 0 55 0 - 5.3-5.5 HA THR 33 - QG2 VAL 6 far 0 63 0 - 7.2-9.1 HA THR 33 - QG2 VAL 103 far 0 57 0 - 7.6-8.6 HA THR 33 - QG1 VAL 103 far 0 96 0 - 8.5-9.9 HA THR 33 - QG1 VAL 6 far 0 73 0 - 9.3-11.6 Violated in 1 structures by 0.00 A. Peak 10234 from cnoeabs.peaks (8.54, 0.87, 20.65 ppm; 4.04 A increased from 3.80 A): 1 out of 8 assignments used, quality = 0.99: H VAL 14 + QG1 VAL 103 OK 99 100 100 99 1.8-4.0 8531/2.1=74...(11) H VAL 14 - QG2 VAL 103 poor 19 63 30 - 3.6-5.1 H SER 9 - QG2 VAL 6 far 6 41 15 - 4.6-5.3 H SER 9 - QG1 VAL 6 far 0 49 0 - 5.5-7.8 H ILE 28 - QG2 VAL 6 far 0 57 0 - 7.2-7.6 H ILE 28 - QG2 VAL 103 far 0 51 0 - 7.5-8.5 H ILE 28 - QG1 VAL 6 far 0 66 0 - 8.0-10.0 H ILE 28 - QG1 VAL 103 far 0 90 0 - 8.3-9.8 Violated in 2 structures by 0.00 A. Peak 10235 from cnoeabs.peaks (8.63, 0.87, 20.65 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.97: H PHE 104 + QG1 VAL 103 OK 94 100 100 95 1.9-3.8 4.3=52, 8530/3.2=49...(10) H PHE 104 + QG2 VAL 103 OK 51 62 90 91 3.6-4.1 4.3=52, 8530/3.2=49...(7) H GLY 106 - QG1 VAL 103 far 0 75 0 - 4.5-6.6 H GLY 106 - QG2 VAL 103 far 0 41 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 10241 from cnoeabs.peaks (8.63, 2.93, 40.59 ppm; 4.52 A): 2 out of 4 assignments used, quality = 1.00: H PHE 104 + HB2 PHE 104 OK 100 100 100 100 2.7-2.8 4.1=100 H PHE 104 + HB3 PHE 104 OK 100 100 100 100 3.8-3.9 4.1=100 H GLY 106 - HB2 PHE 104 far 0 68 0 - 5.5-6.9 H GLY 106 - HB3 PHE 104 far 0 67 0 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 10242 from cnoeabs.peaks (8.55, 5.25, 57.13 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: H VAL 14 + HA PHE 104 OK 100 100 100 100 3.2-3.7 10803=98, 4.0/10244=50...(6) Violated in 0 structures by 0.00 A. Peak 10244 from cnoeabs.peaks (0.91, 5.25, 57.13 ppm; 4.36 A increased from 4.11 A): 1 out of 3 assignments used, quality = 0.64: QG1 VAL 14 + HA PHE 104 OK 64 70 100 92 3.7-4.2 2.1/11229=58...(6) QG2 VAL 103 - HA PHE 104 far 0 93 0 - 5.3-5.5 QG1 VAL 76 - HA PHE 104 far 0 82 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 10245 from cnoeabs.peaks (2.69, 2.93, 40.59 ppm; 2.41 A): 1 out of 2 assignments used, quality = 0.92: HB2 ASP 82 + HB3 ASP 82 OK 92 92 100 100 1.8-1.8 1.8=100 HE2 LYS 84 - HB3 ASP 82 far 0 91 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 10246 from cnoeabs.peaks (0.86, 2.93, 40.59 ppm; 5.11 A): 2 out of 18 assignments used, quality = 0.99: QG1 VAL 103 + HB2 PHE 104 OK 93 98 95 100 4.2-5.8 10233/3.0=83...(13) QG1 VAL 103 + HB3 PHE 104 OK 92 97 95 100 4.9-6.0 10233/3.0=83, ~10725=53...(13) QD1 LEU 109 - HB2 PHE 104 far 5 95 5 - 4.9-14.0 QD1 LEU 109 - HB3 PHE 104 far 0 95 0 - 5.8-12.9 QG2 VAL 103 - HB2 PHE 104 far 0 63 0 - 5.8-6.3 HG LEU 15 - HB3 PHE 104 far 0 95 0 - 6.6-7.3 QG2 VAL 103 - HB3 PHE 104 far 0 63 0 - 6.7-6.9 HB2 LYS 84 - HB3 ASP 82 far 0 82 0 - 6.8-8.5 QG2 VAL 102 - HB2 PHE 104 far 0 93 0 - 7.6-7.8 QG2 VAL 102 - HB3 PHE 104 far 0 93 0 - 7.8-7.9 HG LEU 15 - HB2 PHE 104 far 0 95 0 - 8.0-8.7 HD2 LYS 98 - HB3 ASP 82 far 0 91 0 - 8.4-10.5 QG2 ILE 11 - HB2 PHE 104 far 0 100 0 - 8.6-9.3 QD2 LEU 17 - HB3 PHE 104 far 0 96 0 - 9.0-10.1 QG2 ILE 11 - HB3 PHE 104 far 0 100 0 - 9.4-10.0 QD1 LEU 12 - HB3 PHE 104 far 0 98 0 - 9.6-10.2 QD1 LEU 17 - HB3 PHE 104 far 0 89 0 - 9.7-10.7 QD1 LEU 12 - HB2 PHE 104 far 0 98 0 - 9.8-10.4 Violated in 1 structures by 0.01 A. Peak 10247 from cnoeabs.peaks (0.56, 2.93, 40.59 ppm; 4.38 A increased from 4.13 A): 1 out of 6 assignments used, quality = 0.92: QD2 LEU 83 + HB3 ASP 82 OK 92 94 100 98 3.9-4.3 10404/1.8=82...(10) QD1 LEU 83 - HB3 ASP 82 far 0 53 0 - 5.6-6.3 QD1 LEU 83 - HB3 PHE 104 far 0 61 0 - 8.2-9.7 QD1 LEU 83 - HB2 PHE 104 far 0 61 0 - 9.1-10.7 QD1 ILE 77 - HB3 ASP 82 far 0 80 0 - 9.9-10.2 QD2 LEU 83 - HB3 PHE 104 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 10251 from cnoeabs.peaks (0.43, 3.81, 64.55 ppm; 3.25 A): 0 out of 2 assignments used, quality = 0.00: QD2 LEU 15 - HB2 SER 105 far 0 99 0 - 3.9-6.4 QD2 LEU 15 - HB3 SER 105 far 0 98 0 - 4.2-5.0 Violated in 20 structures by 1.05 A. Peak 10252 from cnoeabs.peaks (0.88, 4.67, 57.38 ppm; 4.64 A): 1 out of 4 assignments used, quality = 0.66: QG1 VAL 103 + HA SER 105 OK 66 99 100 67 4.0-5.1 10254/3.0=34...(4) QG2 VAL 103 - HA SER 105 far 0 98 0 - 6.3-7.2 QG2 ILE 11 - HA SER 105 far 0 75 0 - 9.3-10.3 QD2 LEU 17 - HA SER 105 far 0 59 0 - 9.4-10.4 Violated in 3 structures by 0.02 A. Peak 10253 from cnoeabs.peaks (0.85, 3.81, 64.55 ppm; 3.82 A increased from 3.60 A): 2 out of 14 assignments used, quality = 0.88: HG LEU 15 + HB3 SER 105 OK 85 98 100 86 3.4-3.7 2.1/8830=40...(10) QG1 VAL 103 + HB2 SER 105 OK 23 93 55 46 3.6-6.7 10252/3.0=25...(3) HG LEU 15 - HB2 SER 105 poor 20 99 20 - 3.6-5.3 QD1 LEU 109 - HB2 SER 105 far 5 99 5 - 2.0-11.2 QD1 LEU 109 - HB3 SER 105 far 5 98 5 - 3.3-10.7 QG1 VAL 103 - HB3 SER 105 far 0 93 0 - 4.5-5.7 QD2 LEU 17 - HB2 SER 105 far 0 99 0 - 7.0-9.6 QD2 LEU 17 - HB3 SER 105 far 0 99 0 - 7.4-8.2 QD1 LEU 17 - HB3 SER 105 far 0 96 0 - 7.7-9.1 QD1 LEU 17 - HB2 SER 105 far 0 96 0 - 7.8-10.5 QG2 ILE 11 - HB2 SER 105 far 0 100 0 - 9.1-11.4 QD1 LEU 12 - HB2 SER 105 far 0 100 0 - 9.6-11.7 QD1 LEU 12 - HB3 SER 105 far 0 100 0 - 9.7-10.6 QG2 ILE 11 - HB3 SER 105 far 0 100 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10260 from cnoeabs.peaks (4.24, 4.00, 44.81 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 106 + HA2 GLY 106 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 109 - HA2 GLY 106 far 0 91 0 - 7.4-10.7 Violated in 0 structures by 0.00 A. Peak 10264 from cnoeabs.peaks (7.16, 7.16, 127.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 16 + HD1 TRP 16 OK 100 100 - 100 Peak 10265 from cnoeabs.peaks (9.74, 7.47, 115.68 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 16 + HZ2 TRP 16 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 10266 from cnoeabs.peaks (11.12, 7.51, 114.90 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 42 + HZ2 TRP 42 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 10271 from cnoeabs.peaks (9.20, 6.81, 114.33 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HE1 TRP 80 + HZ2 TRP 80 OK 100 100 100 100 2.8-2.8 2.8=100 H TRP 16 - HZ2 TRP 80 far 0 80 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10277 from cnoeabs.peaks (5.21, 8.64, 52.28 ppm; 3.92 A): 0 out of 0 assignments used, quality = 0.00: Peak 10278 from cnoeabs.peaks (8.66, 5.21, 57.20 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.31: H PHE 104 + HA PHE 104 OK 31 31 100 100 2.9-2.9 3.0=100 H GLY 106 - HA PHE 104 far 0 60 0 - 5.6-6.5 Violated in 0 structures by 0.00 A. Peak 10280 from cnoeabs.peaks (4.48, 1.08, 21.11 ppm; 4.16 A increased from 3.91 A): 1 out of 3 assignments used, quality = 0.98: HA SER 9 + QG2 THR 8 OK 98 99 100 99 3.9-4.0 2.9/6062=75...(11) HA TRP 60 - QG2 THR 8 far 0 71 0 - 7.4-7.6 HA2 GLY 32 - QG2 THR 8 far 0 84 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 10282 from cnoeabs.peaks (8.18, 7.04, 131.14 ppm; 4.86 A): 1 out of 4 assignments used, quality = 1.00: H PHE 10 + QD PHE 10 OK 100 100 100 100 2.4-2.6 4.5=100 H LEU 70 - QD PHE 10 far 0 100 0 - 7.6-8.0 H VAL 29 - QD PHE 10 far 0 92 0 - 7.6-7.7 H VAL 6 - QD PHE 10 far 0 71 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 10283 from cnoeabs.peaks (8.96, 7.04, 131.14 ppm; 5.34 A): 2 out of 4 assignments used, quality = 1.00: H ILE 11 + QD PHE 10 OK 100 100 100 100 4.0-4.1 4.5=100 H ASP 26 + QD PHE 10 OK 36 61 65 91 5.8-6.0 4.1/8968=83, 4.1/8723=36 H GLY 30 - QD PHE 10 far 0 85 0 - 9.3-9.5 H ASN 71 - QD PHE 10 far 0 89 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 10284 from cnoeabs.peaks (5.02, 7.04, 131.14 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 27 + QD PHE 10 OK 100 100 100 100 3.0-3.4 9015=100, 8045/3.7=73...(16) HA PRO 35 - QD PHE 10 far 0 88 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 10285 from cnoeabs.peaks (8.86, 1.42, 27.04 ppm; 6.00 A increased from 5.03 A): 1 out of 3 assignments used, quality = 0.26: H LEU 15 + HG LEU 17 OK 26 32 100 80 5.8-6.3 4.0/11249=29...(7) H LYS 13 - HG13 ILE 11 far 10 99 10 - 6.5-8.0 H SER 105 - HG LEU 17 far 0 49 0 - 8.1-9.1 Violated in 14 structures by 0.05 A. Peak 10286 from cnoeabs.peaks (5.31, 1.05, 27.04 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: HA PHE 10 + HG12 ILE 11 OK 98 99 100 100 2.7-3.6 6081/6090=80...(14) HA ASP 26 + HG12 ILE 11 OK 75 100 75 100 4.9-6.3 ~10322=44, 8063/2.1=34...(25) Violated in 0 structures by 0.00 A. Peak 10287 from cnoeabs.peaks (5.31, 1.42, 27.04 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.98: HA PHE 10 + HG13 ILE 11 OK 98 99 100 100 3.1-4.7 6081/177=76...(14) HA ASP 26 - HG13 ILE 11 poor 20 100 20 - 4.4-6.5 Violated in 1 structures by 0.01 A. Peak 10288 from cnoeabs.peaks (1.25, 1.42, 27.04 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.91: HG12 ILE 28 + HG13 ILE 11 OK 87 88 100 99 2.4-3.2 2.1/8552=62, 8766/1.8=46...(16) HB3 LEU 15 + HG LEU 17 OK 25 39 100 66 3.2-3.8 384/2.1=22, ~10210=19...(12) HG13 ILE 23 - HG LEU 17 far 0 42 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10289 from cnoeabs.peaks (1.75, 0.85, 23.88 ppm; 2.68 A): 2 out of 17 assignments used, quality = 0.93: HG LEU 55 + QD1 LEU 51 OK 78 92 100 85 2.1-2.7 2.1/8071=54...(12) HB ILE 23 + QD1 LEU 12 OK 67 90 100 75 2.4-2.5 6293/10845=25...(10) HG12 ILE 23 - QD1 LEU 12 far 0 73 0 - 3.8-4.1 HG LEU 55 - QG2 VAL 25 far 0 97 0 - 4.0-4.4 HG12 ILE 23 - QD1 LEU 51 far 0 64 0 - 4.3-4.8 HB ILE 23 - QG2 VAL 25 far 0 86 0 - 4.6-5.1 HB3 LEU 36 - QD1 LEU 51 far 0 93 0 - 4.6-5.0 HG12 ILE 23 - QG2 VAL 25 far 0 70 0 - 4.8-5.1 HB3 LEU 36 - QG2 VAL 25 far 0 98 0 - 4.9-5.2 HB ILE 23 - QD1 LEU 51 far 0 80 0 - 5.1-5.7 HB3 ARG 66 - QD1 LEU 51 far 0 53 0 - 5.8-6.3 HB3 ARG 66 - QG2 VAL 25 far 0 59 0 - 6.3-6.6 HG LEU 55 - QD1 LEU 12 far 0 99 0 - 6.5-7.1 HB3 LEU 36 - QD1 LEU 12 far 0 100 0 - 7.4-7.7 HB3 ARG 66 - QD1 LEU 12 far 0 61 0 - 8.4-9.3 HB3 PRO 35 - QD1 LEU 51 far 0 93 0 - 8.9-9.2 HB3 PRO 35 - QG2 VAL 25 far 0 98 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 10291 from cnoeabs.peaks (4.58, 0.85, 23.88 ppm; 4.22 A increased from 3.97 A): 2 out of 14 assignments used, quality = 0.98: HB THR 37 + QD1 LEU 51 OK 86 87 100 99 3.8-4.1 9193=76, 10395/8156=54...(13) HA ILE 11 + QG2 VAL 25 OK 84 98 100 86 4.5-4.6 ~8756=45, 3.0/6089=31...(7) HB THR 37 - QG2 VAL 25 far 0 93 0 - 5.6-6.0 HA ILE 11 - QD1 LEU 12 far 0 100 0 - 5.8-5.9 HA ASP 65 - QG2 VAL 25 far 0 76 0 - 6.5-6.8 HA ASN 71 - QD1 LEU 12 far 0 93 0 - 6.5-6.7 HA ILE 11 - QD1 LEU 51 far 0 93 0 - 7.0-7.3 HB THR 37 - QD1 LEU 12 far 0 96 0 - 7.4-7.8 HA ASP 65 - QD1 LEU 51 far 0 69 0 - 7.6-8.1 HA ASN 71 - QG2 VAL 25 far 0 90 0 - 7.7-8.0 HA ASN 71 - QD1 LEU 51 far 0 83 0 - 8.7-8.9 HA ASP 65 - QD1 LEU 12 far 0 79 0 - 8.7-9.1 HA PHE 41 - QD1 LEU 12 far 0 61 0 - 8.9-9.4 HA PHE 41 - QD1 LEU 51 far 0 53 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 10292 from cnoeabs.peaks (5.10, 4.68, 54.08 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.93: HA VAL 25 + HA LEU 12 OK 93 100 100 94 1.8-1.9 10800/6111=51...(11) Violated in 0 structures by 0.00 A. Peak 10293 from cnoeabs.peaks (1.47, 1.31, 33.70 ppm; 4.52 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.5-3.8 3.8=100 HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.5-4.1 3.8=100 HB2 LEU 109 - HB2 LYS 13 far 0 100 0 - 6.1-15.5 HB3 LEU 51 - HB2 LYS 13 far 0 99 0 - 8.5-12.0 HB2 LEU 36 - HB2 LYS 13 far 0 96 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 10295 from cnoeabs.peaks (1.32, 7.47, 115.68 ppm; 5.89 A): 1 out of 4 assignments used, quality = 0.69: HG LEU 83 + HZ2 TRP 16 OK 69 69 100 100 2.4-4.6 2.1/10588=100, ~11199=81...(9) HG3 LYS 88 - HZ2 TRP 16 far 0 100 0 - 6.6-8.4 HB3 LYS 98 - HZ2 TRP 16 far 0 99 0 - 6.9-8.7 QB ALA 93 - HZ2 TRP 16 far 0 100 0 - 7.4-10.1 Violated in 0 structures by 0.00 A. Peak 10296 from cnoeabs.peaks (3.78, 7.35, 124.14 ppm; 4.67 A): 1 out of 5 assignments used, quality = 0.99: HA TRP 80 + HH2 TRP 16 OK 99 99 100 100 2.1-3.2 10008=99, 2.9/11037=67...(12) HB2 PHE 79 - HH2 TRP 16 far 0 99 0 - 5.3-6.1 HB3 TRP 16 - HH2 TRP 16 far 0 100 0 - 6.3-6.6 HA LYS 84 - HH2 TRP 16 far 0 85 0 - 8.4-9.8 HA LYS 98 - HH2 TRP 16 far 0 75 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 10297 from cnoeabs.peaks (0.63, 7.35, 124.14 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.90: QD1 LEU 83 + HH2 TRP 16 OK 77 77 100 100 1.9-2.5 2.1/11199=95, 11198=77...(12) QD1 ILE 90 + HH2 TRP 16 OK 59 79 100 75 2.9-4.2 10686/2.5=66...(3) QD2 LEU 12 - HH2 TRP 16 far 0 100 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 10299 from cnoeabs.peaks (7.32, 1.38, 26.78 ppm; 5.50 A increased from 5.18 A): 1 out of 3 assignments used, quality = 1.00: H ASN 20 + HG LEU 17 OK 100 100 100 100 5.2-5.5 6237/3.0=96, 8115/3.0=92...(5) HZ PHE 10 - HG13 ILE 11 far 0 49 0 - 9.1-10.7 QE PHE 104 - HG LEU 17 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 10300 from cnoeabs.peaks (7.29, 0.84, 25.77 ppm; 4.66 A): 1 out of 6 assignments used, quality = 0.95: H ASN 20 + QD1 LEU 17 OK 95 96 100 100 3.4-3.6 6237/3.1=77, 8115/3.1=71...(10) HE3 TRP 80 - QD1 LEU 17 far 0 100 0 - 7.8-8.7 QE PHE 104 - HG LEU 15 far 0 95 0 - 7.9-8.7 QE PHE 104 - QD1 LEU 17 far 0 96 0 - 9.1-10.0 HE22 GLN 81 - QD1 LEU 17 far 0 61 0 - 9.2-12.8 H ASN 20 - HG LEU 15 far 0 95 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10301 from cnoeabs.peaks (8.85, 0.84, 22.53 ppm; 4.06 A): 1 out of 5 assignments used, quality = 0.84: H GLU 101 + QG2 VAL 102 OK 84 84 100 100 3.0-3.5 8525=92, 7268/7279=74...(11) H LYS 13 - QG2 VAL 102 far 0 84 0 - 6.1-6.4 H TRP 80 - QG2 VAL 102 far 0 55 0 - 7.4-7.7 H SER 105 - QD2 LEU 17 far 0 97 0 - 8.0-8.8 H SER 105 - QG2 VAL 102 far 0 78 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 10302 from cnoeabs.peaks (4.69, 5.05, 52.91 ppm; 4.58 A increased from 3.86 A): 0 out of 4 assignments used, quality = 0.00: HA TRP 16 - HA LEU 17 lone 13 93 100 14 4.4-4.4 10988/8873=10, 2.9/698=3 HA LEU 36 - HA GLN 27 far 0 43 0 - 5.6-6.1 HA ASN 108 - HA LEU 17 far 0 100 0 - 5.6-18.4 HA LEU 12 - HA GLN 27 far 0 55 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 10303 from cnoeabs.peaks (0.49, 0.84, 22.53 ppm; 3.46 A increased from 3.26 A): 1 out of 6 assignments used, quality = 0.78: QG2 VAL 14 + QG2 VAL 102 OK 78 79 100 98 3.1-3.3 8095/2.1=76...(17) HG3 LYS 98 - QG2 VAL 102 far 0 78 0 - 5.3-8.0 QD2 LEU 51 - QG2 VAL 102 far 0 80 0 - 6.2-6.6 HG12 ILE 77 - QG2 VAL 102 far 0 80 0 - 7.5-7.9 QG2 VAL 14 - QD2 LEU 17 far 0 98 0 - 8.4-8.7 HG12 ILE 77 - QD2 LEU 17 far 0 99 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10306 from cnoeabs.peaks (6.93, 2.42, 33.69 ppm; 4.57 A): 2 out of 9 assignments used, quality = 1.00: HE22 GLN 19 + HG2 GLN 19 OK 100 100 100 100 3.4-3.7 3.5=100 HE22 GLN 19 + HG3 GLN 19 OK 75 75 100 100 3.9-4.1 3.5=100 QE PHE 41 - HG2 GLN 19 far 0 65 0 - 6.7-9.7 QE PHE 41 - HG3 GLN 19 far 0 42 0 - 6.8-10.9 HZ3 TRP 48 - HG3 GLN 49 far 0 50 0 - 7.0-7.6 QD PHE 41 - HG3 GLN 19 far 0 51 0 - 8.1-10.7 QD PHE 41 - HG2 GLN 19 far 0 77 0 - 8.2-10.0 H LEU 17 - HG2 GLN 19 far 0 99 0 - 8.2-8.6 H LEU 17 - HG3 GLN 19 far 0 73 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10307 from cnoeabs.peaks (0.81, 5.61, 47.96 ppm; 4.79 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 23 + HA ALA 22 OK 100 100 100 100 3.5-3.6 8911=100, 6285/6281=74...(9) QD1 LEU 17 + HA ALA 22 OK 58 75 100 77 4.4-5.0 8126/2.1=40...(6) QD2 LEU 17 - HA ALA 22 far 0 61 0 - 6.8-7.5 HG LEU 15 - HA ALA 22 far 0 65 0 - 7.4-7.9 QD1 LEU 109 - HA ALA 22 far 0 65 0 - 8.2-18.6 QG2 VAL 102 - HA ALA 22 far 0 70 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10308 from cnoeabs.peaks (1.23, 5.61, 47.96 ppm; 5.04 A): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 23 + HA ALA 22 OK 100 100 100 100 4.0-4.1 8910=94, 635/6281=82...(9) HB3 LEU 15 + HA ALA 22 OK 100 100 100 100 4.7-4.9 8128/2.1=98, ~8127=81...(11) Violated in 0 structures by 0.00 A. Peak 10309 from cnoeabs.peaks (0.83, 4.45, 58.32 ppm; 4.01 A): 1 out of 17 assignments used, quality = 0.73: QD1 LEU 17 + HA VAL 21 OK 73 100 100 73 2.9-3.7 8126/10310=46...(4) QD1 LEU 109 - HA SER 107 far 5 46 10 - 3.1-7.5 QD2 LEU 17 - HA VAL 21 far 0 99 0 - 4.9-5.3 QG1 VAL 6 - HA SER 9 far 0 66 0 - 5.0-8.4 QG2 ILE 23 - HA VAL 21 far 0 75 0 - 5.1-5.2 QG2 VAL 6 - HA SER 9 far 0 68 0 - 5.3-6.4 QD2 LEU 17 - HA SER 107 far 0 46 0 - 5.7-14.2 HG LEU 15 - HA SER 107 far 0 46 0 - 5.9-12.1 HG LEU 15 - HA VAL 21 far 0 100 0 - 6.7-7.2 QG2 ILE 11 - HA SER 9 far 0 60 0 - 7.3-7.4 QD1 LEU 109 - HA VAL 21 far 0 100 0 - 7.5-18.9 QD1 LEU 17 - HA SER 107 far 0 47 0 - 7.7-15.6 QG1 VAL 103 - HA SER 107 far 0 24 0 - 8.0-10.7 QG2 VAL 25 - HA SER 9 far 0 63 0 - 8.7-8.9 QD1 LEU 12 - HA VAL 21 far 0 98 0 - 9.0-9.4 QG1 VAL 103 - HA VAL 21 far 0 63 0 - 9.3-11.3 QG2 VAL 102 - HA VAL 21 far 0 100 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 10310 from cnoeabs.peaks (4.47, 0.13, 21.17 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.86: HA VAL 21 + QB ALA 22 OK 86 88 100 98 4.0-4.1 576/2.9=66, 5.0=59...(6) HA SER 107 - QB ALA 22 far 0 98 0 - 8.9-14.6 HA GLN 19 - QB ALA 22 far 0 82 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 10311 from cnoeabs.peaks (1.87, 0.75, 13.70 ppm; 3.66 A): 0 out of 9 assignments used, quality = 0.00: HB VAL 103 - QD1 ILE 11 far 0 95 0 - 4.8-5.8 HB VAL 76 - QD1 ILE 23 far 0 84 0 - 5.5-5.6 HB3 LEU 12 - QD1 ILE 11 far 0 93 0 - 6.3-6.5 HB3 LEU 12 - QD1 ILE 23 far 0 99 0 - 6.5-6.8 HG3 PRO 35 - QD1 ILE 11 far 0 71 0 - 7.8-9.0 HB3 ARG 44 - QD1 ILE 23 far 0 98 0 - 8.8-10.5 HB VAL 103 - QD1 ILE 23 far 0 100 0 - 8.9-11.1 HG3 GLU 56 - QD1 ILE 23 far 0 87 0 - 9.3-10.4 HB2 GLU 110 - QD1 ILE 11 far 0 85 0 - 9.5-21.4 Violated in 20 structures by 0.82 A. Peak 10312 from cnoeabs.peaks (0.98, 0.20, 23.38 ppm; 4.84 A increased from 4.56 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 25 + QB ALA 24 OK 100 100 100 100 4.9-5.2 4.0/6304=74, 678/4.4=72...(14) QG2 THR 37 + QB ALA 24 OK 93 94 100 99 4.6-4.9 8266/6304=74...(8) HB2 LEU 15 - QB ALA 24 poor 20 90 100 22 4.6-5.1 11191/10747=19, 344/8957=3 QG1 VAL 14 - QB ALA 24 far 0 75 0 - 5.7-6.3 QG1 VAL 76 - QB ALA 24 far 0 61 0 - 7.0-7.5 QG2 THR 33 - QB ALA 24 far 0 61 0 - 8.0-8.1 HG13 ILE 28 - QB ALA 24 far 0 85 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 10313 from cnoeabs.peaks (1.14, 0.20, 23.38 ppm; 4.40 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 13 + QB ALA 24 OK 99 100 100 100 2.6-4.9 3.0/8797=60, 8540=54...(16) HG2 LYS 13 + QB ALA 24 OK 99 100 100 100 3.3-4.6 3.0/8797=60, 3.9/8802=52...(17) HB2 LEU 51 - QB ALA 24 far 0 61 0 - 5.4-7.2 HB2 LEU 12 - QB ALA 24 far 0 59 0 - 6.0-6.7 HB VAL 14 - QB ALA 24 far 0 93 0 - 6.2-7.0 HG LEU 51 - QB ALA 24 far 0 75 0 - 7.1-7.5 QD1 LEU 36 - QB ALA 24 far 0 99 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 10314 from cnoeabs.peaks (1.71, 4.25, 50.30 ppm; 4.73 A): 2 out of 4 assignments used, quality = 1.00: HG12 ILE 23 + HA ALA 24 OK 100 100 100 100 3.3-3.5 6295/3.0=67...(17) HB VAL 25 + HA ALA 24 OK 99 100 100 99 4.1-4.3 6306/6303=81, ~10318=35...(13) HB3 LEU 36 - HA ALA 24 far 0 73 0 - 6.5-7.0 HG LEU 55 - HA ALA 24 far 0 79 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 10315 from cnoeabs.peaks (2.48, 0.20, 23.38 ppm; 5.06 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 13 + QB ALA 24 OK 100 100 100 100 3.1-5.0 8807=100, 1.8/8802=93...(9) HB3 TYR 39 + QB ALA 24 OK 82 82 100 100 3.9-4.5 3.0/9199=90, 2.5/8147=83...(7) Violated in 0 structures by 0.00 A. Peak 10316 from cnoeabs.peaks (2.59, 0.20, 23.38 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 13 + QB ALA 24 OK 100 100 100 100 4.1-4.3 8802=100, 1.8/8807=88...(9) Violated in 0 structures by 0.00 A. Peak 10318 from cnoeabs.peaks (8.89, 5.11, 60.23 ppm; 4.83 A increased from 4.55 A): 1 out of 2 assignments used, quality = 0.84: H ALA 24 + HA VAL 25 OK 84 85 100 98 4.4-4.7 ~6303=46, ~6304=46...(15) H LEU 15 - HA VAL 25 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10320 from cnoeabs.peaks (0.78, 1.71, 35.27 ppm; 4.15 A increased from 3.49 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 36 + HB VAL 25 OK 98 99 100 99 4.1-4.3 8248/8150=58, ~8944=51...(13) QG2 ILE 90 + HB3 LYS 88 OK 91 93 100 98 3.0-4.1 10570/10565=65...(13) QG2 VAL 69 + HB VAL 25 OK 84 100 100 84 4.0-4.2 9402/2.1=28, ~11167=20...(11) QD1 ILE 23 - HB VAL 25 far 0 85 0 - 5.5-6.1 QD1 ILE 11 - HB VAL 25 far 0 98 0 - 6.3-7.9 HB3 LEU 55 - HB VAL 25 far 0 99 0 - 6.4-6.7 QG2 ILE 23 - HB VAL 25 far 0 87 0 - 7.3-7.7 HG2 LYS 52 - HB VAL 25 far 0 97 0 - 7.8-9.2 QD1 ILE 67 - HB VAL 25 far 0 90 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 10321 from cnoeabs.peaks (1.42, 0.85, 24.01 ppm; 3.99 A increased from 3.36 A): 2 out of 17 assignments used, quality = 0.92: HG LEU 70 + QD1 LEU 51 OK 81 82 100 99 3.8-3.9 ~9410=55, 2.1/8468=48...(13) HG LEU 70 + QG2 VAL 25 OK 56 100 100 56 3.9-4.2 2.1/8468=33...(5) HB3 LYS 52 - QD1 LEU 51 far 0 63 0 - 4.8-5.8 HG LEU 70 - QD1 LEU 12 far 0 98 0 - 4.9-5.4 QB ALA 47 - QD1 LEU 12 far 0 98 0 - 5.2-5.5 HG13 ILE 11 - QG2 VAL 25 far 0 100 0 - 5.7-7.1 QB ALA 47 - QD1 LEU 51 far 0 82 0 - 5.8-6.3 HB2 LEU 36 - QG2 VAL 25 far 0 63 0 - 5.8-6.1 HB2 LEU 36 - QD1 LEU 51 far 0 46 0 - 5.9-6.2 HB3 LYS 52 - QG2 VAL 25 far 0 84 0 - 6.2-7.9 QB ALA 47 - QG2 VAL 25 far 0 100 0 - 6.4-6.8 QB ALA 57 - QD1 LEU 51 far 0 71 0 - 6.5-6.8 HB3 LYS 52 - QD1 LEU 12 far 0 81 0 - 7.1-9.1 HG13 ILE 11 - QD1 LEU 12 far 0 99 0 - 7.6-8.3 HG13 ILE 11 - QD1 LEU 51 far 0 83 0 - 7.9-9.4 HB2 LEU 36 - QD1 LEU 12 far 0 61 0 - 8.4-8.8 QB ALA 57 - QG2 VAL 25 far 0 92 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 10323 from cnoeabs.peaks (5.05, 2.32, 43.62 ppm; 4.51 A): 2 out of 4 assignments used, quality = 0.99: HA PRO 35 + HB3 ASP 26 OK 91 100 100 91 4.0-4.4 8549/3.0=78, ~9132=31...(4) HA GLN 27 + HB3 ASP 26 OK 86 87 100 98 4.3-4.7 2.9/6323=85, ~6322=40...(8) HA PRO 35 - HB2 ASP 26 far 15 100 15 - 5.0-5.3 HA GLN 27 - HB2 ASP 26 far 0 88 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 10324 from cnoeabs.peaks (7.26, 5.03, 53.30 ppm; 4.41 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 10 + HA GLN 27 OK 99 99 100 100 4.3-4.5 2.2/9015=86, 5.6/8045=40...(15) HH2 TRP 60 + HA GLN 27 OK 93 100 100 93 4.1-4.4 9587/9158=45...(10) HZ3 TRP 60 - HA GLN 27 far 0 61 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 10327 from cnoeabs.peaks (1.10, 2.07, 33.17 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.97: QG2 THR 8 + HG2 GLN 27 OK 97 97 100 100 2.1-3.9 8032=97, 8693/1.8=84...(14) Violated in 0 structures by 0.00 A. Peak 10329 from cnoeabs.peaks (3.94, 0.68, 12.63 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.99: HB THR 33 + QD1 ILE 28 OK 99 99 100 100 4.7-4.8 2.1/9104=100, 9103=99...(14) HA3 GLY 30 - QD1 ILE 28 far 0 91 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 10330 from cnoeabs.peaks (3.65, 4.25, 61.29 ppm; 4.92 A increased from 4.63 A): 2 out of 6 assignments used, quality = 1.00: HB2 SER 9 + HA ILE 28 OK 100 100 100 100 4.6-4.7 8040/784=83, 9049/3.0=83...(15) HB3 SER 34 + HA ILE 28 OK 96 100 100 97 4.8-5.2 6430/9023=77...(4) HB3 SER 9 - HA ILE 28 far 5 100 5 - 5.1-6.3 HD3 PRO 100 - HA VAL 102 far 0 70 0 - 7.3-8.2 HA2 GLY 30 - HA ILE 28 far 0 71 0 - 8.0-8.1 HA2 GLY 97 - HA VAL 102 far 0 70 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 10331 from cnoeabs.peaks (3.94, 4.25, 61.29 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: HB THR 33 + HA ILE 28 OK 100 100 100 100 3.4-3.6 9111=100, 2.1/8221=98...(14) HA3 GLY 30 - HA ILE 28 far 0 85 0 - 7.2-7.2 HA LEU 70 - HA VAL 102 far 0 81 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 10336 from cnoeabs.peaks (8.02, 0.78, 17.00 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.97: H GLY 32 + QG2 ILE 28 OK 95 98 100 97 4.3-4.4 10813/6369=90...(4) H LYS 88 + QG2 ILE 90 OK 45 76 65 91 4.9-5.9 4.9/10076=50...(10) H GLN 50 - QG2 ILE 23 far 0 59 0 - 7.4-7.5 HD22 ASN 68 - QG2 ILE 28 far 0 91 0 - 8.6-8.7 Violated in 0 structures by 0.00 A. Peak 10343 from cnoeabs.peaks (7.30, 0.69, 83.29 ppm; 3.45 A): 0 out of 0 assignments used, quality = 0.00: Peak 10344 from cnoeabs.peaks (9.16, 0.72, 20.00 ppm; 5.36 A increased from 5.04 A): 1 out of 1 assignment used, quality = 0.94: H GLN 27 + QG2 VAL 29 OK 94 94 100 100 5.1-5.2 6321/8183=78...(8) Violated in 0 structures by 0.00 A. Peak 10345 from cnoeabs.peaks (5.24, 1.81, 33.28 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.99: HA THR 33 + HB VAL 29 OK 99 99 100 100 3.2-3.3 8186/2.1=91...(7) Violated in 0 structures by 0.00 A. Peak 10346 from cnoeabs.peaks (0.78, 5.25, 59.81 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 28 + HA THR 33 OK 100 100 100 100 3.2-3.4 8179=93, 6369/8181=74...(18) QD1 ILE 11 + HA THR 33 OK 92 96 100 97 3.8-4.2 8213/936=48, 11213=42...(12) QG1 VAL 29 - HA THR 33 far 0 77 0 - 4.7-4.8 QD2 LEU 36 - HA THR 33 far 0 99 0 - 7.7-7.8 QD2 LEU 109 - HA THR 33 far 0 81 0 - 7.9-21.3 Violated in 0 structures by 0.00 A. Peak 10350 from cnoeabs.peaks (0.72, 3.65, 64.80 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 29 + HB3 SER 34 OK 100 100 100 100 2.0-2.1 8188=88, 8232/1.8=66...(16) QG1 VAL 29 - HB3 SER 34 far 0 79 0 - 4.0-4.5 QD2 LEU 109 - HB3 SER 34 far 0 75 0 - 8.7-21.1 Violated in 0 structures by 0.00 A. Peak 10351 from cnoeabs.peaks (2.04, 0.79, 25.52 ppm; 4.78 A increased from 4.50 A): 1 out of 2 assignments used, quality = 0.73: HG2 GLN 27 + QD2 LEU 36 OK 73 73 100 100 4.0-4.7 8254/2.1=88, ~9164=65...(20) HG2 PRO 35 - QD2 LEU 36 far 0 88 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 10352 from cnoeabs.peaks (10.42, 1.15, 24.55 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.96: HE1 TRP 60 + QD1 LEU 36 OK 96 96 100 100 3.2-3.5 9598=96, 2.8/8239=89...(17) Violated in 0 structures by 0.00 A. Peak 10353 from cnoeabs.peaks (7.12, 4.52, 58.40 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 40 + HA TYR 39 OK 99 99 100 99 4.2-4.8 10771=87, 6488/6480=87...(4) HZ PHE 40 - HA TYR 39 far 0 81 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 10354 from cnoeabs.peaks (8.82, 4.52, 58.40 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.96: H ILE 23 + HA TYR 39 OK 96 98 100 99 4.2-4.4 8562/6480=81...(4) H LYS 13 - HA TYR 39 far 0 65 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 10365 from cnoeabs.peaks (2.94, 2.68, 40.80 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASP 82 + HB2 ASP 82 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 66 - HB3 ASP 65 far 0 25 0 - 5.3-7.6 HB3 ASN 78 - HB2 ASP 82 far 0 63 0 - 7.8-8.4 HD2 ARG 44 - HB2 PHE 40 far 0 65 0 - 8.9-11.9 HB2 TRP 60 - HB3 ASP 65 far 0 34 0 - 9.7-10.0 HD3 ARG 44 - HB2 PHE 40 far 0 63 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 10366 from cnoeabs.peaks (2.68, 2.68, 40.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASP 82 + HB2 ASP 82 OK 100 100 - 100 HB2 PHE 40 + HB2 PHE 40 OK 80 80 - 100 HB3 ASP 65 + HB3 ASP 65 OK 33 33 - 100 Peak 10367 from cnoeabs.peaks (4.42, 2.68, 40.80 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 82 + HB2 ASP 82 OK 100 100 100 100 2.9-3.0 3.0=100 HA ASN 78 - HB2 ASP 82 far 0 65 0 - 6.9-7.4 HA VAL 21 - HB2 PHE 40 far 0 61 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 10368 from cnoeabs.peaks (4.42, 2.94, 40.80 ppm; 2.98 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 82 + HB3 ASP 82 OK 100 100 100 100 2.6-2.8 10382=100, 3.0/10378=47...(6) HA VAL 103 - HB2 PHE 104 far 0 69 0 - 4.5-4.6 HA ASN 78 - HB3 ASP 82 far 0 65 0 - 5.3-5.7 HA VAL 103 - HB3 PHE 104 far 0 70 0 - 5.6-5.6 HA VAL 21 - HB3 PHE 104 far 0 68 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10369 from cnoeabs.peaks (2.68, 2.94, 40.80 ppm; 2.41 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 82 + HB3 ASP 82 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 84 - HB3 ASP 82 far 0 95 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 10370 from cnoeabs.peaks (4.72, 2.94, 40.80 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.78: HA PHE 79 + HB3 ASP 82 OK 78 93 100 84 2.3-2.9 10371/1.8=64...(7) HA TRP 16 - HB3 PHE 104 far 0 91 0 - 5.6-6.9 HA TRP 16 - HB2 PHE 104 far 0 90 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 10371 from cnoeabs.peaks (4.73, 2.68, 40.80 ppm; 4.01 A increased from 3.78 A): 1 out of 1 assignment used, quality = 0.93: HA PHE 79 + HB2 ASP 82 OK 93 100 100 94 3.2-3.9 10370/1.8=77...(5) Violated in 0 structures by 0.00 A. Peak 10372 from cnoeabs.peaks (7.66, 2.68, 40.80 ppm; 3.93 A): 1 out of 5 assignments used, quality = 0.70: QD PHE 79 + HB2 ASP 82 OK 70 81 100 87 3.4-4.0 3.7/10371=48...(8) H LEU 51 - HB2 PHE 40 far 0 49 0 - 4.7-5.1 H LYS 84 - HB2 ASP 82 far 0 100 0 - 4.7-4.9 H VAL 69 - HB3 ASP 65 far 0 34 0 - 6.3-6.5 H GLU 54 - HB2 PHE 40 far 0 74 0 - 8.3-8.7 Violated in 1 structures by 0.00 A. Peak 10373 from cnoeabs.peaks (7.27, 2.94, 40.80 ppm; 4.51 A): 2 out of 11 assignments used, quality = 0.98: HE22 GLN 86 + HB3 ASP 82 OK 97 100 100 97 4.0-4.5 10032/1.8=75, ~10033=60...(5) QE PHE 79 + HB3 ASP 82 OK 34 59 65 88 4.6-5.4 ~10372=60, 5.6/10370=40...(8) HZ PHE 79 - HB3 ASP 82 far 0 94 0 - 6.4-7.1 HE3 TRP 80 - HB3 ASP 82 far 0 70 0 - 6.7-6.9 QD PHE 99 - HB2 PHE 104 far 0 60 0 - 7.3-8.4 QD PHE 99 - HB3 PHE 104 far 0 61 0 - 7.4-8.5 H PHE 99 - HB2 PHE 104 far 0 91 0 - 7.4-8.1 H PHE 99 - HB3 PHE 104 far 0 92 0 - 8.1-8.8 QE PHE 79 - HB3 PHE 104 far 0 51 0 - 8.4-10.3 QD PHE 99 - HB3 ASP 82 far 0 70 0 - 9.0-9.6 QE PHE 79 - HB2 PHE 104 far 0 51 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 10374 from cnoeabs.peaks (7.52, 2.68, 40.80 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.97: * H LEU 83 + HB2 ASP 82 OK 97 100 100 98 2.6-3.0 10376/1.8=68, 4.3=56...(10) Violated in 0 structures by 0.00 A. Peak 10375 from cnoeabs.peaks (8.45, 2.68, 40.80 ppm; 3.28 A increased from 3.08 A): 1 out of 7 assignments used, quality = 0.99: * H ASP 82 + HB2 ASP 82 OK 99 99 100 100 2.8-3.2 10363=99, 10378/1.8=77...(8) H TRP 48 - HB2 PHE 40 far 0 49 0 - 5.0-5.4 H ALA 22 - HB2 PHE 40 far 0 87 0 - 7.3-7.6 H ASN 78 - HB2 ASP 82 far 0 100 0 - 8.0-8.6 H LEU 55 - HB3 ASP 65 far 0 45 0 - 8.4-9.6 H LEU 55 - HB2 PHE 40 far 0 86 0 - 9.7-10.1 H HIS 7 - HB3 ASP 65 far 0 35 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 10376 from cnoeabs.peaks (7.52, 2.94, 40.80 ppm; 3.68 A): 1 out of 5 assignments used, quality = 0.99: H LEU 83 + HB3 ASP 82 OK 99 100 100 99 3.3-3.6 10374/1.8=77, 4.3=63...(8) H GLN 86 - HB3 ASP 82 far 0 61 0 - 5.9-6.4 H ALA 95 - HB3 PHE 104 far 0 88 0 - 6.3-7.5 H ALA 95 - HB2 PHE 104 far 0 87 0 - 6.4-7.9 HZ2 TRP 42 - HB3 ASP 82 far 0 98 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 10377 from cnoeabs.peaks (7.65, 2.94, 40.80 ppm; 4.25 A): 3 out of 12 assignments used, quality = 0.97: HE22 GLN 96 + HB2 PHE 104 OK 85 91 100 93 2.6-3.9 10959/2.5=46...(11) QD PHE 79 + HB3 ASP 82 OK 62 63 100 98 3.3-3.9 10372/1.8=83...(9) HE22 GLN 96 + HB3 PHE 104 OK 54 92 65 90 4.3-5.5 10959/2.5=46...(9) HE3 TRP 16 - HB3 PHE 104 far 0 66 0 - 5.1-6.2 H LYS 84 - HB3 ASP 82 far 0 99 0 - 5.2-5.3 HE3 TRP 16 - HB2 PHE 104 far 0 66 0 - 6.6-7.5 H GLU 94 - HB3 PHE 104 far 0 94 0 - 7.3-8.3 H GLU 94 - HB2 PHE 104 far 0 93 0 - 7.3-8.7 HD21 ASN 108 - HB3 PHE 104 far 0 93 0 - 7.9-15.6 HD21 ASN 108 - HB2 PHE 104 far 0 92 0 - 8.3-16.9 QD PHE 79 - HB3 PHE 104 far 0 55 0 - 8.9-10.2 QD PHE 79 - HB2 PHE 104 far 0 55 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10378 from cnoeabs.peaks (8.46, 2.94, 40.80 ppm; 3.03 A): 1 out of 3 assignments used, quality = 0.99: * H ASP 82 + HB3 ASP 82 OK 99 100 100 99 2.1-2.3 10364=90, 10363/1.8=62...(8) H ASN 78 - HB3 ASP 82 far 0 100 0 - 6.7-7.2 H ALA 22 - HB3 PHE 104 far 0 94 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10379 from cnoeabs.peaks (7.26, 2.68, 40.80 ppm; 4.21 A): 2 out of 8 assignments used, quality = 0.99: HE22 GLN 86 + HB2 ASP 82 OK 97 99 100 98 2.2-2.8 10032=71, 1.7/10033=69...(5) QE PHE 10 + HB3 ASP 65 OK 42 42 100 99 3.6-3.9 8424/1.8=65...(12) HZ PHE 79 - HB2 ASP 82 far 0 97 0 - 5.4-6.3 HE3 TRP 60 - HB3 ASP 65 far 0 23 0 - 6.9-7.4 HE3 TRP 80 - HB2 ASP 82 far 0 61 0 - 7.5-7.9 HH2 TRP 60 - HB3 ASP 65 far 0 45 0 - 7.6-7.9 QD PHE 99 - HB2 ASP 82 far 0 61 0 - 9.1-10.0 HE3 TRP 48 - HB2 PHE 40 far 0 85 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 10380 from cnoeabs.peaks (4.42, 4.42, 57.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 82 + HA ASP 82 OK 100 100 - 100 Peak 10381 from cnoeabs.peaks (3.16, 4.42, 57.20 ppm; 3.58 A): 0 out of 1 assignment used, quality = 0.00: HB3 ASN 85 - HA ASP 82 far 8 82 10 - 3.9-5.4 Violated in 20 structures by 1.28 A. Peak 10382 from cnoeabs.peaks (2.94, 4.42, 57.20 ppm; 2.89 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 82 + HA ASP 82 OK 98 100 100 98 2.6-2.8 10368=91, 10378/3.0=44...(6) HB3 ASN 78 - HA ASP 82 far 0 63 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 10383 from cnoeabs.peaks (2.68, 4.42, 57.20 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 82 + HA ASP 82 OK 100 100 100 100 2.9-3.0 3.0=100 HE2 LYS 84 - HA ASP 82 far 0 98 0 - 7.1-9.1 HB2 ASN 87 - HA ASP 82 far 0 99 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 10384 from cnoeabs.peaks (2.48, 4.42, 57.20 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.83: HG3 GLN 81 + HA ASP 82 OK 61 91 75 89 3.4-6.1 10629/3.0=40, ~10393=35...(9) HG3 GLN 86 + HA ASP 82 OK 57 79 100 72 3.5-4.0 10633=32, 10644/10389=24...(7) HE2 LYS 98 - HA ASP 82 far 0 71 0 - 9.3-12.5 HE3 LYS 98 - HA ASP 82 far 0 77 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 10385 from cnoeabs.peaks (2.94, 2.94, 40.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 82 + HB3 ASP 82 OK 100 100 - 100 HB3 PHE 104 + HB3 PHE 104 OK 94 94 - 100 HB2 PHE 104 + HB2 PHE 104 OK 92 92 - 100 Peak 10386 from cnoeabs.peaks (7.20, 4.42, 57.20 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.96: * HD21 ASN 85 + HA ASP 82 OK 96 96 100 100 1.9-4.2 10014=92, 1.7/10389=89...(8) HZ3 TRP 80 - HA ASP 82 far 0 91 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 10388 from cnoeabs.peaks (7.53, 4.42, 57.20 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: H LEU 83 + HA ASP 82 OK 100 100 100 100 3.5-3.5 3.6=100 H GLN 86 + HA ASP 82 OK 40 79 100 50 3.9-4.5 4.6/10391=39...(3) HZ2 TRP 42 - HA ASP 82 far 0 90 0 - 8.6-9.2 HD21 ASN 78 - HA ASP 82 far 0 71 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 10389 from cnoeabs.peaks (7.96, 4.42, 57.20 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.88: * HD22 ASN 85 + HA ASP 82 OK 88 95 100 93 1.9-3.0 10015=70, 1.7/10386=61...(8) Violated in 0 structures by 0.00 A. Peak 10390 from cnoeabs.peaks (8.46, 4.42, 57.20 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 82 + HA ASP 82 OK 100 100 100 100 2.8-2.9 3.0=100 H ASN 78 - HA ASP 82 far 0 100 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 10391 from cnoeabs.peaks (8.76, 4.42, 57.20 ppm; 4.25 A): 1 out of 2 assignments used, quality = 0.66: * H ASN 85 + HA ASP 82 OK 66 98 100 67 3.2-3.5 5.6/10389=36...(6) H ILE 90 - HA ASP 82 far 0 71 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10395 from cnoeabs.peaks (4.59, 7.07, 130.15 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: HB THR 37 + QE PHE 40 OK 100 100 100 100 2.3-3.3 2.1/10400=81...(17) HA PHE 41 - QE PHE 40 far 0 80 0 - 8.1-8.2 HA ASN 71 - QE PHE 99 far 0 79 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10396 from cnoeabs.peaks (3.46, 7.07, 130.15 ppm; 4.30 A): 3 out of 6 assignments used, quality = 1.00: HA LEU 51 + QE PHE 40 OK 100 100 100 100 1.8-2.2 1445/8156=77...(23) HB2 SER 38 + QE PHE 40 OK 81 88 100 92 3.9-4.4 8271=43, 3.9/10881=37...(10) HA ALA 95 + QE PHE 99 OK 54 79 85 80 4.2-5.0 ~10856=40...(6) HB3 TRP 80 - QE PHE 99 far 0 80 0 - 6.2-6.7 HA GLN 49 - QE PHE 40 far 0 99 0 - 7.4-7.6 HA ARG 66 - QE PHE 40 far 0 99 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 10397 from cnoeabs.peaks (2.34, 7.07, 130.15 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 54 + QE PHE 40 OK 99 99 100 100 2.5-3.3 10764/2.2=69...(19) HG2 GLU 75 + QE PHE 99 OK 34 50 75 90 4.2-5.4 1.8/9945=49, 3.0/2301=24...(9) HB2 GLU 101 - QE PHE 99 far 0 75 0 - 8.0-8.8 HB2 PRO 100 - QE PHE 99 far 0 56 0 - 8.8-8.9 HB2 GLN 81 - QE PHE 99 far 0 73 0 - 8.9-10.3 HB2 ASP 26 - QE PHE 40 far 0 93 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 10398 from cnoeabs.peaks (2.26, 7.07, 130.15 ppm; 4.59 A): 3 out of 12 assignments used, quality = 1.00: HG3 GLU 54 + QE PHE 40 OK 100 100 100 100 3.7-4.4 1.8/9946=72...(18) HB2 GLU 75 + QE PHE 99 OK 79 80 100 98 2.0-3.4 3.0/9945=39...(15) HB3 GLU 75 + QE PHE 99 OK 79 80 100 98 2.0-2.7 3.0/9945=39...(15) HG3 GLU 101 - QE PHE 99 far 0 71 0 - 5.7-6.5 HB3 GLN 72 - QE PHE 99 far 0 76 0 - 6.2-7.1 HG2 GLU 101 - QE PHE 99 far 0 72 0 - 7.4-8.1 HG2 GLN 72 - QE PHE 99 far 0 56 0 - 7.4-8.3 HG2 GLN 96 - QE PHE 99 far 0 81 0 - 8.3-9.4 HG2 GLN 49 - QE PHE 40 far 0 69 0 - 8.5-8.9 HB3 GLN 49 - QE PHE 40 far 0 97 0 - 8.6-8.8 HG2 GLN 72 - QE PHE 40 far 0 77 0 - 9.6-11.1 HG3 GLU 94 - QE PHE 99 far 0 78 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10399 from cnoeabs.peaks (1.10, 7.07, 130.15 ppm; 5.11 A): 3 out of 4 assignments used, quality = 1.00: HB2 LEU 51 + QE PHE 40 OK 100 100 100 100 2.2-4.4 3.1/8156=92, 9219/2.2=83...(20) HG LEU 51 + QE PHE 40 OK 100 100 100 100 4.3-5.2 2.1/8156=98, ~9220=69...(20) HD3 LYS 98 + QE PHE 99 OK 79 79 100 100 3.0-4.9 10148/2.2=93, ~10731=46...(24) HB VAL 14 - QE PHE 99 far 0 72 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 10400 from cnoeabs.peaks (0.99, 7.07, 130.15 ppm; 4.07 A): 1 out of 6 assignments used, quality = 0.99: QG2 THR 37 + QE PHE 40 OK 99 99 100 100 2.8-3.4 2.1/10395=65, 8265=63...(23) QG1 VAL 25 - QE PHE 40 far 0 98 0 - 5.1-5.9 QG1 VAL 14 - QE PHE 99 far 0 42 0 - 5.3-5.9 QG2 THR 74 - QE PHE 99 far 0 63 0 - 5.7-6.4 QG1 VAL 14 - QE PHE 40 far 0 59 0 - 9.3-10.3 HB2 LEU 15 - QE PHE 40 far 0 77 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10401 from cnoeabs.peaks (1.43, 5.03, 56.49 ppm; 4.62 A increased from 4.35 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 47 + HA PHE 40 OK 100 100 100 100 4.3-4.5 8307/3.0=80, 9214/3.0=72...(10) Violated in 0 structures by 0.00 A. Peak 10402 from cnoeabs.peaks (0.85, 7.07, 130.15 ppm; 3.81 A): 3 out of 11 assignments used, quality = 1.00: QD1 LEU 51 + QE PHE 40 OK 100 100 100 100 2.2-3.2 8156=97, 9220/2.2=65...(28) HD2 LYS 98 + QE PHE 99 OK 65 75 90 97 2.8-4.8 ~10148=42, 10161/2.2=30...(24) QG2 VAL 102 + QE PHE 99 OK 34 76 45 98 4.0-4.5 8844/2.2=78...(12) QG2 VAL 25 - QE PHE 40 far 10 100 10 - 4.2-5.4 QD1 LEU 12 - QE PHE 40 far 0 100 0 - 5.0-6.7 QD1 LEU 12 - QE PHE 99 far 0 80 0 - 7.5-8.0 QG1 VAL 103 - QE PHE 40 far 0 93 0 - 9.0-11.5 QG1 VAL 103 - QE PHE 99 far 0 71 0 - 9.1-10.2 QG2 ILE 11 - QE PHE 99 far 0 81 0 - 9.8-10.3 QG2 ILE 11 - QE PHE 40 far 0 100 0 - 9.8-11.0 QG2 VAL 102 - QE PHE 40 far 0 97 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10403 from cnoeabs.peaks (1.39, 2.68, 40.80 ppm; 4.30 A increased from 4.05 A): 2 out of 9 assignments used, quality = 0.79: HG LEU 83 + HB2 ASP 82 OK 63 65 100 96 3.8-4.2 2.1/10404=75, ~10247=50...(6) QB ALA 64 + HB3 ASP 65 OK 43 43 100 100 4.3-4.7 6844/6847=71, 9691=70...(8) HG3 LYS 84 - HB2 ASP 82 far 0 98 0 - 6.0-9.2 HB2 LYS 88 - HB2 ASP 82 far 0 100 0 - 6.5-7.2 HD3 LYS 84 - HB2 ASP 82 far 0 96 0 - 7.7-10.5 HD3 LYS 58 - HB3 ASP 65 far 0 33 0 - 8.2-8.9 HB3 LYS 52 - HB2 PHE 40 far 0 86 0 - 9.0-10.0 HG13 ILE 11 - HB3 ASP 65 far 0 25 0 - 9.9-11.1 HB3 LYS 52 - HB3 ASP 65 far 0 45 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 10404 from cnoeabs.peaks (0.56, 2.68, 40.80 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 83 + HB2 ASP 82 OK 100 100 100 100 2.4-3.3 10247/1.8=71...(10) QD1 ILE 77 - HB2 PHE 40 far 0 72 0 - 5.0-5.4 QD1 LEU 83 - HB2 ASP 82 far 0 59 0 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 10405 from cnoeabs.peaks (9.32, 6.97, 131.04 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.99: H PHE 41 + QE PHE 41 OK 97 97 100 100 4.4-5.4 6503/2.2=97, 6502/4.4=74...(5) H TRP 42 + QE PHE 41 OK 84 90 100 93 4.7-5.9 9236/11151=66...(4) Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (0.83, 6.97, 131.04 ppm; 4.77 A): 2 out of 6 assignments used, quality = 1.00: QD1 LEU 17 + QE PHE 41 OK 99 99 100 100 1.9-2.4 2.1/10830=87...(15) QD2 LEU 17 + QE PHE 41 OK 96 96 100 100 3.3-4.4 10830=98, 2.1/11146=67...(16) QD1 LEU 109 - QE PHE 41 far 5 97 5 - 5.2-16.5 HG LEU 15 - QE PHE 41 far 0 97 0 - 6.4-7.1 QG2 ILE 23 - QE PHE 41 far 0 85 0 - 7.4-7.9 QD1 LEU 12 - QE PHE 41 far 0 94 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 10408 from cnoeabs.peaks (0.12, 6.97, 131.04 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 15 + QE PHE 41 OK 100 100 100 100 3.5-4.3 8821/2.2=88...(10) QB ALA 22 + QE PHE 41 OK 99 99 100 100 3.0-3.6 11151=99, 8135/2.2=97...(14) Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (5.14, 7.34, 121.96 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.96: HA ASP 46 + HZ3 TRP 42 OK 96 97 100 99 4.2-4.8 9262/2.5=86...(6) HA ASN 20 - HZ3 TRP 42 far 0 65 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10410 from cnoeabs.peaks (5.10, 8.16, 120.29 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.82: HA ASP 46 + HE3 TRP 42 OK 82 82 100 100 2.9-3.4 3.6/9263=94, 9262=82...(8) HA ASN 20 - HE3 TRP 42 far 0 100 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 10411 from cnoeabs.peaks (3.52, 5.62, 53.20 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 43 + HA TRP 42 OK 100 100 100 100 2.4-2.5 2.5=100 HD2 PRO 43 + HA TRP 42 OK 96 97 100 99 4.4-4.7 4.6=95, ~1203=31...(6) Violated in 0 structures by 0.00 A. Peak 10414 from cnoeabs.peaks (4.22, 2.39, 34.36 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 47 + HG2 GLN 50 OK 100 100 100 100 3.4-3.9 6581/6592=72...(9) HA ALA 24 - HG2 GLN 50 far 0 81 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 10415 from cnoeabs.peaks (4.22, 2.04, 34.36 ppm; 5.25 A increased from 4.94 A): 1 out of 2 assignments used, quality = 0.98: HA ALA 47 + HG3 GLN 50 OK 98 98 100 100 4.7-5.2 10414/1.8=91...(9) HA ALA 24 - HG3 GLN 50 far 0 63 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10417 from cnoeabs.peaks (7.11, 1.10, 40.21 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.96: QD PHE 40 + HB2 LEU 51 OK 94 94 100 100 2.4-4.0 9219=93, 9220/3.1=72...(30) HZ PHE 40 + HB2 LEU 51 OK 42 94 45 100 4.2-6.4 3.8/9219=59, ~8156=52...(23) HH2 TRP 48 - HB2 LEU 51 far 0 75 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 10418 from cnoeabs.peaks (7.10, 1.48, 40.21 ppm; 5.40 A): 3 out of 4 assignments used, quality = 0.97: QD PHE 40 + HB3 LEU 51 OK 88 88 100 100 2.5-4.2 9219/1.8=89, 9220/3.1=81...(27) QE PHE 40 + HB3 LEU 51 OK 63 63 100 100 3.0-4.5 8157/3.1=86, ~9219=75...(19) HZ PHE 40 + HB3 LEU 51 OK 39 98 40 100 5.2-6.6 ~8156=69, 10768/3.1=69...(20) HH2 TRP 48 - HB3 LEU 51 far 0 84 0 - 8.0-9.9 Violated in 0 structures by 0.00 A. Peak 10419 from cnoeabs.peaks (7.09, 1.11, 26.59 ppm; 5.59 A): 2 out of 5 assignments used, quality = 0.95: QE PHE 40 + HG LEU 51 OK 79 79 100 100 4.3-5.2 8157/2.1=98, ~9220=78...(20) QD PHE 40 + HG LEU 51 OK 75 75 100 100 5.4-5.7 ~8156=88, ~8157=87...(25) HZ PHE 40 - HG LEU 51 far 15 100 15 - 5.7-7.3 HH2 TRP 48 - HG LEU 51 far 0 94 0 - 7.7-8.2 HE22 GLN 72 - HG LEU 51 far 0 70 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10420 from cnoeabs.peaks (8.42, 3.47, 57.31 ppm; 4.54 A increased from 4.27 A): 3 out of 7 assignments used, quality = 0.97: H LEU 55 + HA LEU 51 OK 85 85 100 99 4.3-4.8 6689/6677=65...(10) H ASP 53 + HA LEU 51 OK 68 71 100 95 4.2-4.8 6660/3.6=54...(7) H ASP 53 + HA GLN 49 OK 44 44 100 99 3.9-4.4 4.7/1516=45, 4.8/9421=44...(13) H TRP 48 - HA GLN 49 far 0 72 0 - 5.5-5.5 H TRP 48 - HA LEU 51 far 0 100 0 - 6.9-7.4 H LEU 55 - HA GLN 49 far 0 55 0 - 8.1-8.3 H ALA 73 - HA LEU 51 far 0 63 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 10421 from cnoeabs.peaks (8.40, 0.48, 25.53 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.97: H ALA 73 + QD2 LEU 51 OK 96 96 100 100 4.3-4.5 9901=91, 2.9/8495=89...(9) H TRP 48 + QD2 LEU 51 OK 33 95 35 100 4.9-5.5 8744/8144=79...(12) H ASP 53 - QD2 LEU 51 far 0 98 0 - 5.9-6.6 H VAL 103 - QD2 LEU 51 far 0 88 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 10422 from cnoeabs.peaks (8.89, 0.48, 25.53 ppm; 4.98 A): 2 out of 3 assignments used, quality = 0.85: H ALA 24 + QD2 LEU 51 OK 75 77 100 97 3.8-4.4 6297/8144=62...(11) H LYS 13 + QD2 LEU 51 OK 41 63 100 64 4.9-5.5 4.5/8768=24...(6) H LEU 15 - QD2 LEU 51 far 0 100 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 10423 from cnoeabs.peaks (6.70, 0.48, 25.53 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 48 + QD2 LEU 51 OK 100 100 100 100 3.2-3.5 8478/8495=91, 10773=84...(11) Violated in 0 structures by 0.00 A. Peak 10424 from cnoeabs.peaks (3.81, 0.48, 25.53 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: HA ALA 73 + QD2 LEU 51 OK 100 100 100 100 4.6-5.0 2.1/8495=100...(5) Violated in 0 structures by 0.00 A. Peak 10425 from cnoeabs.peaks (3.93, 0.48, 25.53 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.98: HA LEU 70 + QD2 LEU 51 OK 98 98 100 100 2.6-2.8 8466=97, 2231/9410=78...(11) Violated in 0 structures by 0.00 A. Peak 10426 from cnoeabs.peaks (3.93, 0.86, 23.70 ppm; 6.00 A): 3 out of 6 assignments used, quality = 1.00: HA LEU 70 + QD1 LEU 51 OK 95 95 100 100 4.7-4.9 10425/2.1=100...(5) HA LEU 70 + QD1 LEU 12 OK 85 86 100 99 3.4-3.8 7023/8487=87...(7) HA LEU 70 + QG2 VAL 25 OK 56 74 100 75 4.1-4.4 2199/8468=36...(4) HA ILE 61 - QD1 LEU 51 far 0 75 0 - 8.5-9.1 HA ILE 61 - QG2 VAL 25 far 0 55 0 - 8.7-9.2 HB THR 33 - QG2 VAL 25 far 0 73 0 - 9.0-9.1 Violated in 0 structures by 0.00 A. Peak 10427 from cnoeabs.peaks (0.99, 3.47, 57.31 ppm; 4.36 A): 1 out of 5 assignments used, quality = 0.99: QG2 THR 37 + HA LEU 51 OK 99 99 100 100 3.1-3.5 9185=94, 9192/1448=52...(13) QG1 VAL 25 - HA LEU 51 far 0 98 0 - 5.4-5.7 QG2 THR 37 - HA GLN 49 far 0 70 0 - 8.4-8.8 QG2 THR 74 - HA GLN 49 far 0 54 0 - 9.1-9.7 QG1 VAL 25 - HA GLN 49 far 0 67 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 10428 from cnoeabs.peaks (-0.15, 0.86, 23.70 ppm; 3.89 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 70 + QD1 LEU 51 OK 98 99 100 100 3.2-3.4 9410/2.1=87, 8469/2.1=63...(16) QD2 LEU 70 + QD1 LEU 12 OK 72 91 100 79 4.0-4.4 9902/8487=33...(7) QD2 LEU 70 + QG2 VAL 25 OK 66 79 100 84 3.7-4.1 8468=38, 9410/1480=24...(9) Violated in 0 structures by 0.00 A. Peak 10429 from cnoeabs.peaks (0.44, 1.11, 26.59 ppm; 3.40 A): 3 out of 4 assignments used, quality = 1.00: QD1 LEU 55 + HG LEU 51 OK 91 98 100 94 3.0-3.8 ~8071=41, 8450/10474=26...(13) QD1 LEU 70 + HG LEU 51 OK 88 90 100 98 3.5-3.8 2.1/8469=53, ~9410=39...(14) QD2 LEU 51 + HG LEU 51 OK 71 71 100 100 2.1-2.1 2.1=100 HB2 LYS 52 - HG LEU 51 far 0 79 0 - 4.5-5.8 Violated in 0 structures by 0.00 A. Peak 10430 from cnoeabs.peaks (0.42, 0.47, 31.50 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + HB2 LYS 52 OK 100 100 100 100 1.9-4.1 10431/1.8=74...(26) QD1 LEU 55 - HB2 LYS 52 far 5 99 5 - 4.8-6.1 Violated in 0 structures by 0.00 A. Peak 10431 from cnoeabs.peaks (0.42, 1.40, 31.50 ppm; 4.32 A increased from 4.07 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + HB3 LYS 52 OK 100 100 100 100 1.8-4.2 10430/1.8=80...(28) QD1 LEU 55 - HB3 LYS 52 far 10 98 10 - 4.8-6.3 Violated in 0 structures by 0.00 A. Peak 10432 from cnoeabs.peaks (0.41, 0.79, 23.91 ppm; 4.21 A increased from 3.55 A): 1 out of 2 assignments used, quality = 0.96: QD1 LEU 70 + HG2 LYS 52 OK 96 96 100 100 1.9-4.1 10433/1.8=82...(24) QD1 LEU 55 - HG2 LYS 52 far 4 85 5 - 4.6-6.6 Violated in 0 structures by 0.00 A. Peak 10433 from cnoeabs.peaks (0.41, 0.94, 23.91 ppm; 3.99 A increased from 3.76 A): 1 out of 2 assignments used, quality = 0.96: QD1 LEU 70 + HG3 LYS 52 OK 96 96 100 100 1.8-4.2 10432/1.8=70...(23) QD1 LEU 55 - HG3 LYS 52 far 0 85 0 - 4.8-6.8 Violated in 3 structures by 0.03 A. Peak 10434 from cnoeabs.peaks (0.41, 1.24, 30.05 ppm; 4.51 A increased from 4.01 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 70 + HD2 LYS 52 OK 98 98 100 100 3.2-4.4 8333/1.8=87...(25) QD1 LEU 55 - HD2 LYS 52 far 0 91 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 10435 from cnoeabs.peaks (6.75, 2.80, 41.80 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 49 + HE3 LYS 52 OK 100 100 100 100 1.9-5.0 8318/3.0=78, 9441/1.8=70...(10) HE21 GLN 89 - HE3 LYS 84 far 0 97 0 - 5.3-13.3 Violated in 4 structures by 0.08 A. Peak 10436 from cnoeabs.peaks (2.03, 2.48, 39.72 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.77: HB2 TYR 39 + HB3 TYR 39 OK 77 77 100 100 1.8-1.8 1.8=100 HG3 GLN 50 - HB2 ASP 53 far 0 96 0 - 5.1-6.3 HB2 GLN 49 - HB2 ASP 53 far 0 73 0 - 5.7-8.0 Violated in 0 structures by 0.00 A. Peak 10437 from cnoeabs.peaks (2.02, 2.56, 39.72 ppm; 5.19 A increased from 4.89 A): 1 out of 2 assignments used, quality = 0.69: HG3 GLN 50 + HB3 ASP 53 OK 69 93 100 74 4.8-5.3 3.9/1400=74 HB2 GLN 49 - HB3 ASP 53 poor 20 65 30 - 5.6-7.3 Violated in 3 structures by 0.01 A. Peak 10438 from cnoeabs.peaks (1.28, 0.77, 41.59 ppm; 4.91 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 61 + HB3 LEU 55 OK 99 99 100 100 3.7-4.2 2.1/1677=46, ~8380=40...(22) HG2 ARG 66 + HB3 LEU 55 OK 94 99 95 100 4.7-5.6 2.8/9714=47, 9710/3.1=45...(32) HG2 LYS 58 - HB3 LEU 55 far 0 100 0 - 6.2-6.4 HD2 LYS 52 - HB3 LEU 55 far 0 59 0 - 9.3-10.3 HG12 ILE 67 - HB3 LEU 55 far 0 68 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10439 from cnoeabs.peaks (1.28, 1.60, 41.59 ppm; 5.42 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 66 + HB2 LEU 55 OK 99 99 100 100 4.1-4.9 9710/3.1=50...(34) HB ILE 61 + HB2 LEU 55 OK 99 99 100 100 4.6-5.1 ~8380=50, ~8351=50...(22) HG2 LYS 58 - HB2 LEU 55 far 0 100 0 - 6.8-7.0 HD2 LYS 52 - HB2 LEU 55 far 0 59 0 - 7.6-8.7 HG12 ILE 67 - HB2 LEU 55 far 0 68 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10440 from cnoeabs.peaks (1.59, 3.54, 58.74 ppm; 5.03 A): 3 out of 7 assignments used, quality = 1.00: HB2 ARG 66 + HA GLU 56 OK 98 100 100 98 4.9-5.6 3.4/9525=76, 3.4/9526=74...(8) HB2 LEU 55 + HA GLU 56 OK 97 97 100 100 3.9-4.1 3.0/9527=71, 6717/3.0=50...(14) HB3 LYS 58 + HA GLU 56 OK 56 63 95 93 5.2-5.7 3.7/9560=70...(4) HD2 LYS 58 - HA GLU 56 far 0 75 0 - 6.0-7.1 QB ALA 62 - HA GLU 56 far 0 97 0 - 7.8-8.3 HG13 ILE 67 - HA GLU 56 far 0 99 0 - 8.3-9.5 HG LEU 36 - HA GLU 56 far 0 87 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 10441 from cnoeabs.peaks (1.15, 1.36, 28.83 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 36 + HD3 LYS 58 OK 100 100 100 100 2.2-3.5 10873=99, 10871/1.8=86...(24) HG3 ARG 66 - HD3 LYS 58 far 0 92 0 - 7.3-10.3 Violated in 0 structures by 0.00 A. Peak 10442 from cnoeabs.peaks (1.14, 1.47, 23.86 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 36 + HG3 LYS 58 OK 100 100 100 100 3.3-3.9 10871/1809=85...(15) HG3 ARG 66 - HG3 LYS 58 far 0 98 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 10443 from cnoeabs.peaks (6.98, 4.21, 57.89 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.97: H ILE 61 + HA HIS 59 OK 97 98 100 99 3.3-3.6 9628=95, 6790/3.6=67...(5) H LYS 58 - HA HIS 59 far 0 84 0 - 5.3-5.4 H ALA 57 - HA HIS 59 far 0 100 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 10444 from cnoeabs.peaks (6.98, 3.18, 29.86 ppm; 5.55 A increased from 4.93 A): 2 out of 6 assignments used, quality = 1.00: H ILE 61 + HB2 HIS 59 OK 98 99 100 98 4.9-5.6 10443/3.0=90, 6790/4.6=82 H ILE 61 + HB3 HIS 59 OK 98 99 100 98 4.8-5.6 10443/3.0=90, 6790/4.6=82 H LYS 58 - HB2 HIS 59 far 0 77 0 - 6.2-7.5 H LYS 58 - HB3 HIS 59 far 0 77 0 - 6.3-7.4 H ALA 57 - HB2 HIS 59 far 0 100 0 - 8.1-9.4 H ALA 57 - HB3 HIS 59 far 0 100 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 10445 from cnoeabs.peaks (7.28, 3.18, 29.86 ppm; 4.78 A): 0 out of 4 assignments used, quality = 0.00: HE3 TRP 60 - HB3 HIS 59 far 0 85 0 - 7.9-9.4 HE3 TRP 60 - HB2 HIS 59 far 0 85 0 - 8.0-9.2 QE PHE 10 - HB3 HIS 59 far 0 85 0 - 9.5-10.2 QE PHE 10 - HB2 HIS 59 far 0 85 0 - 9.5-10.1 Violated in 20 structures by 2.40 A. Peak 10446 from cnoeabs.peaks (7.76, 3.18, 29.86 ppm; 4.65 A): 0 out of 0 assignments used, quality = 0.00: Peak 10454 from cnoeabs.peaks (6.78, 4.51, 55.39 ppm; 3.38 A): 0 out of 2 assignments used, quality = 0.00: HZ2 TRP 80 - HA GLN 89 far 0 51 0 - 7.6-10.5 HE21 GLN 86 - HA GLN 89 far 0 67 0 - 9.5-10.1 Violated in 20 structures by 4.69 A. Peak 10456 from cnoeabs.peaks (10.44, 0.10, 14.62 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 60 + QD1 ILE 61 OK 100 100 100 100 2.6-3.0 9601=100, 9598/8251=88...(21) Violated in 0 structures by 0.00 A. Peak 10457 from cnoeabs.peaks (8.53, 3.67, 60.07 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.98: H ILE 67 + HA GLU 63 OK 98 98 100 100 3.9-4.0 6874/1963=78, 6868=75...(15) H GLU 56 - HA GLU 63 far 0 94 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 10459 from cnoeabs.peaks (8.84, 1.58, 18.56 ppm; 3.35 A increased from 2.98 A): 1 out of 1 assignment used, quality = 0.99: H ALA 64 + QB ALA 62 OK 99 99 100 99 3.1-3.3 6836/8409=62...(9) Violated in 0 structures by 0.00 A. Peak 10462 from cnoeabs.peaks (0.67, 1.94, 29.37 ppm; 4.27 A): 2 out of 4 assignments used, quality = 0.97: QD1 ILE 90 + HG13 ILE 90 OK 94 94 100 100 2.1-2.1 2.1=100 QD1 ILE 90 + HB2 GLU 94 OK 53 53 100 100 1.9-3.2 10115/3.0=68...(28) QG2 VAL 21 - HG13 ILE 90 far 0 81 0 - 8.1-8.9 QD1 ILE 28 - HB3 GLU 101 far 0 99 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 10463 from cnoeabs.peaks (8.00, 4.55, 57.10 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.95: HD22 ASN 68 + HA ASP 65 OK 92 100 100 92 3.2-3.3 6917/2010=42...(8) HD22 ASN 68 + HA ASN 68 OK 40 40 100 100 4.3-4.3 4.4=93, 6916/3.0=88...(7) Violated in 0 structures by 0.00 A. Peak 10464 from cnoeabs.peaks (7.67, 4.55, 57.10 ppm; 4.52 A): 3 out of 7 assignments used, quality = 0.96: H VAL 69 + HA ASP 65 OK 92 95 100 97 4.2-4.3 6920=57, 6905/2008=41...(8) H VAL 69 + HA ASN 68 OK 35 35 100 100 3.6-3.6 3.6=100 HE21 GLN 19 + HA ASP 18 OK 31 61 75 68 3.6-5.9 ~10304=32, 8856/4.7=26...(5) HD21 ASN 20 - HA ASP 18 far 0 67 0 - 5.7-8.7 H LYS 84 - HA ASP 18 far 0 95 0 - 7.8-10.4 HE3 TRP 16 - HA ASP 18 far 0 91 0 - 7.9-9.3 HD21 ASN 108 - HA ASP 18 far 0 78 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 10465 from cnoeabs.peaks (4.53, 1.38, 18.12 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.92: HA ASP 65 + QB ALA 64 OK 92 92 100 100 3.7-3.8 4.6=92, 3.0/6844=91...(12) HA ASN 68 - QB ALA 64 far 0 94 0 - 5.3-5.4 Violated in 0 structures by 0.00 A. Peak 10466 from cnoeabs.peaks (7.01, 4.55, 57.10 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.72: QD PHE 10 + HA ASP 65 OK 72 81 100 89 3.5-3.8 8423/3.0=42, ~8424=36...(9) QD PHE 10 - HA ASN 68 far 0 27 0 - 8.8-9.0 HE21 GLN 81 - HA ASP 18 far 0 93 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 10468 from cnoeabs.peaks (-0.13, 0.80, 12.36 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 70 + QD1 ILE 67 OK 99 99 100 100 4.8-4.9 2.1/8429=98, 3.1/8432=84...(9) Violated in 1 structures by 0.00 A. Peak 10469 from cnoeabs.peaks (2.06, 0.80, 12.36 ppm; 4.93 A increased from 3.94 A): 1 out of 1 assignment used, quality = 0.63: HB2 GLU 63 + QD1 ILE 67 OK 63 63 100 100 4.5-4.9 3.0/9750=83, ~1963=59...(20) Violated in 1 structures by 0.00 A. Peak 10470 from cnoeabs.peaks (7.82, 1.25, 28.69 ppm; 5.90 A increased from 5.24 A): 2 out of 2 assignments used, quality = 0.99: H ARG 66 + HG12 ILE 67 OK 96 96 100 100 5.8-5.9 9734/2.1=99, 9737/1.8=98...(11) HD22 ASN 71 + HG12 ILE 67 OK 84 84 100 100 5.5-5.7 ~8437=85, ~8472=84...(8) Violated in 0 structures by 0.00 A. Peak 10471 from cnoeabs.peaks (8.18, 4.51, 56.73 ppm; 4.68 A): 1 out of 4 assignments used, quality = 0.99: H LEU 70 + HA ASN 68 OK 99 99 100 100 4.3-4.5 6941/3.6=81...(9) H PHE 10 - HA ASP 65 poor 10 39 100 27 4.6-4.7 6075/2144=14, 8708/9801=14 H LEU 70 - HA ASP 65 far 0 39 0 - 6.5-6.7 H PHE 10 - HA ASN 68 far 0 99 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 10472 from cnoeabs.peaks (0.43, 1.97, 31.29 ppm; 3.91 A increased from 3.68 A): 1 out of 4 assignments used, quality = 0.98: QD1 LEU 55 + HB VAL 69 OK 98 100 100 98 3.7-3.8 8451/2.1=85, 8450/2.1=45...(12) QD1 LEU 70 - HB VAL 69 far 0 100 0 - 5.6-5.8 QD1 LEU 55 - HB2 GLN 27 far 0 80 0 - 5.9-6.4 QD1 LEU 55 - HB3 GLN 27 far 0 79 0 - 6.3-7.1 Violated in 0 structures by 0.00 A. Peak 10473 from cnoeabs.peaks (1.17, 0.78, 22.09 ppm; 4.40 A increased from 3.91 A): 2 out of 6 assignments used, quality = 0.99: HB2 LEU 12 + QG2 VAL 69 OK 98 98 100 100 4.1-4.4 10842=92, 11219/2.1=88...(14) HG3 ARG 66 + QG2 VAL 69 OK 57 63 100 91 4.3-4.7 3.8/8455=65, 11164=31...(10) HD3 LYS 52 - QG2 VAL 69 far 0 99 0 - 6.4-7.7 QD1 LEU 36 - QG2 VAL 69 far 0 93 0 - 6.6-6.9 HG2 LYS 13 - QG2 VAL 69 far 0 92 0 - 7.6-9.3 HG3 LYS 13 - QG2 VAL 69 far 0 92 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 10474 from cnoeabs.peaks (1.10, 0.78, 22.09 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.96: HG LEU 51 + QG2 VAL 69 OK 96 97 100 98 3.4-3.8 2.1/11169=91...(9) HG3 ARG 66 - QG2 VAL 69 far 10 68 15 - 4.3-4.7 HB2 LEU 51 - QG2 VAL 69 far 0 100 0 - 5.4-5.7 QG2 THR 8 - QG2 VAL 69 far 0 98 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 10480 from cnoeabs.peaks (7.31, 0.42, 25.38 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: HZ2 TRP 48 + QD1 LEU 70 OK 100 100 100 100 3.1-3.6 9330=80, 9840/2.1=66...(21) HZ PHE 10 - QD1 LEU 55 far 0 84 0 - 5.4-6.1 HZ2 TRP 48 - QD1 LEU 55 far 0 84 0 - 7.3-7.7 HE3 TRP 60 - QD1 LEU 55 far 0 80 0 - 8.0-8.6 HZ PHE 10 - QD1 LEU 70 far 0 100 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10481 from cnoeabs.peaks (7.07, 0.42, 25.38 ppm; 4.17 A): 2 out of 12 assignments used, quality = 1.00: HH2 TRP 48 + QD1 LEU 70 OK 100 100 100 100 3.6-4.4 2.5/10480=74...(17) QD PHE 10 + QD1 LEU 55 OK 55 57 100 96 3.0-3.8 ~11255=51, 2.5/9419=31...(18) QE PHE 40 - QD1 LEU 55 far 0 83 0 - 5.5-6.2 HZ PHE 40 - QD1 LEU 55 far 0 77 0 - 6.2-7.7 HD21 ASN 68 - QD1 LEU 55 far 0 74 0 - 6.2-6.4 QE PHE 40 - QD1 LEU 70 far 0 99 0 - 7.0-7.7 QD PHE 10 - QD1 LEU 70 far 0 75 0 - 7.2-7.7 HD21 ASN 68 - QD1 LEU 70 far 0 93 0 - 7.8-8.1 HE22 GLN 72 - QD1 LEU 70 far 0 98 0 - 8.0-8.4 HZ PHE 40 - QD1 LEU 70 far 0 96 0 - 8.1-9.3 HE22 GLN 72 - QD1 LEU 55 far 0 80 0 - 8.1-8.3 HH2 TRP 48 - QD1 LEU 55 far 0 85 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 10482 from cnoeabs.peaks (8.09, 0.42, 25.38 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: H LYS 52 + QD1 LEU 70 OK 100 100 100 100 3.8-4.4 8327/2.1=89...(16) H LYS 52 - QD1 LEU 55 far 0 85 0 - 5.1-5.5 Violated in 4 structures by 0.01 A. Peak 10483 from cnoeabs.peaks (7.68, 0.42, 25.38 ppm; 4.71 A increased from 4.44 A): 2 out of 4 assignments used, quality = 0.96: H VAL 69 + QD1 LEU 55 OK 85 85 100 100 4.5-4.6 2188/8451=92...(10) H VAL 69 + QD1 LEU 70 OK 73 100 75 97 5.1-5.4 6941/6951=82...(7) H LEU 51 - QD1 LEU 70 far 0 98 0 - 5.9-6.3 H LEU 51 - QD1 LEU 55 far 0 81 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 10484 from cnoeabs.peaks (1.51, -0.14, 20.06 ppm; 3.21 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 73 + QD2 LEU 70 OK 95 96 100 99 3.2-3.4 8496=63, 8495/9410=50...(14) HB3 LEU 51 + QD2 LEU 70 OK 74 84 90 99 2.5-4.0 3.1/9410=51...(15) HG LEU 12 - QD2 LEU 70 far 0 94 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 10485 from cnoeabs.peaks (1.71, -0.14, 20.06 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.63: HG LEU 55 + QD2 LEU 70 OK 63 75 100 84 4.3-4.7 ~8350=34, ~2228=30...(7) HB3 ARG 66 - QD2 LEU 70 far 15 100 15 - 4.7-6.3 HB VAL 25 - QD2 LEU 70 far 5 100 5 - 5.3-5.8 HG12 ILE 23 - QD2 LEU 70 far 0 99 0 - 5.7-5.9 HB3 LEU 36 - QD2 LEU 70 far 0 70 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 10486 from cnoeabs.peaks (1.51, 4.59, 55.63 ppm; 5.26 A increased from 4.43 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 73 + HA ASN 71 OK 99 99 100 100 5.1-5.1 7045/10488=82...(10) HB3 LEU 51 - HA ASN 71 far 0 75 0 - 9.3-10.7 HG LEU 12 - HA ASN 71 far 0 98 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 10487 from cnoeabs.peaks (7.55, 4.59, 55.63 ppm; 5.15 A increased from 4.57 A): 1 out of 2 assignments used, quality = 0.96: H GLU 75 + HA ASN 71 OK 96 96 100 100 4.6-4.9 7058/2254=84...(7) HD21 ASN 78 - HA ASN 71 far 0 96 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 10488 from cnoeabs.peaks (8.48, 4.59, 55.63 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.98: H THR 74 + HA ASN 71 OK 98 99 100 99 3.7-3.8 7047/2254=64, 7040=56...(9) H ASN 78 - HA ASN 71 far 0 73 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 10490 from cnoeabs.peaks (8.36, 4.59, 55.63 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.89: H ALA 73 + HA ASN 71 OK 89 90 100 100 4.3-4.4 7003/3.6=73, 6972/2.9=65...(10) H ILE 77 - HA ASN 71 far 0 98 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 10491 from cnoeabs.peaks (8.84, 2.28, 29.27 ppm; 5.02 A increased from 4.46 A): 1 out of 4 assignments used, quality = 0.49: H GLU 101 + HB3 GLN 72 OK 49 96 100 50 4.7-4.9 8525/9863=42, 4.0/2855=8 H GLU 101 - HB2 GLU 75 far 0 81 0 - 7.0-7.3 H GLU 101 - HB3 GLU 75 far 0 81 0 - 8.0-8.3 H LYS 13 - HB3 GLN 72 far 0 97 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 10493 from cnoeabs.peaks (4.19, 3.81, 55.20 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.99: HA GLN 72 + HA ALA 73 OK 99 99 100 100 4.8-4.8 9878/8078=89...(18) Violated in 0 structures by 0.00 A. Peak 10494 from cnoeabs.peaks (4.21, 1.52, 17.64 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.95: HB THR 74 + QB ALA 73 OK 95 96 100 100 4.1-4.2 3.0/8498=70...(9) HA GLN 72 - QB ALA 73 far 0 71 0 - 5.0-5.0 HA VAL 102 - QB ALA 73 far 0 75 0 - 6.2-6.4 HA ALA 47 - QB ALA 73 far 0 95 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 10495 from cnoeabs.peaks (0.76, 3.81, 55.20 ppm; 4.37 A increased from 4.11 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 23 + HA ALA 73 OK 100 100 100 100 4.1-4.2 8919=99, 8057/2.1=66...(10) QG2 VAL 69 - HA ALA 73 far 0 93 0 - 6.7-6.8 HG2 LYS 52 - HA ALA 73 far 0 71 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 10496 from cnoeabs.peaks (6.74, 4.05, 59.39 ppm; 5.08 A increased from 4.78 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 78 + HA GLU 75 OK 100 100 100 100 4.5-4.8 8482/9938=88...(10) HD1 TRP 48 - HA GLU 75 far 0 61 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 10497 from cnoeabs.peaks (8.16, 4.05, 59.39 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.98: H PHE 79 + HA GLU 75 OK 98 100 100 98 4.2-4.4 7141/2359=64...(6) Violated in 0 structures by 0.00 A. Peak 10498 from cnoeabs.peaks (7.91, 4.05, 59.39 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.75: H VAL 76 + HA GLU 75 OK 75 75 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 10499 from cnoeabs.peaks (7.04, 2.27, 29.55 ppm; 3.64 A): 3 out of 9 assignments used, quality = 1.00: QE PHE 99 + HB2 GLU 75 OK 93 98 100 95 2.0-3.4 9945/3.0=39...(15) QE PHE 99 + HB3 GLU 75 OK 91 98 100 94 2.0-2.7 9945/3.0=39, 10851=27...(15) HE22 GLN 72 + HB3 GLN 72 OK 68 69 100 99 1.9-1.9 7019/3.0=54, 7016/1.8=53...(12) HD21 ASN 68 - HB3 GLN 72 far 0 77 0 - 5.6-6.0 QE PHE 99 - HB3 GLN 72 far 0 83 0 - 6.2-7.1 HE22 GLN 72 - HB2 GLU 75 far 0 85 0 - 6.8-7.3 HE22 GLN 72 - HB3 GLU 75 far 0 85 0 - 8.2-8.6 HE21 GLN 81 - HB2 GLN 19 far 0 77 0 - 9.1-12.0 HE21 GLN 81 - HB2 GLN 86 far 0 82 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 10500 from cnoeabs.peaks (8.48, 2.59, 36.10 ppm; 5.43 A increased from 5.11 A): 1 out of 2 assignments used, quality = 1.00: H THR 74 + HG3 GLU 75 OK 100 100 100 100 5.0-5.1 7049/2383=90...(6) H ASN 78 - HG3 GLU 75 far 0 87 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 10501 from cnoeabs.peaks (2.27, 0.29, 21.33 ppm; 3.65 A): 1 out of 9 assignments used, quality = 0.96: HB2 GLU 75 + QG2 VAL 76 OK 96 100 100 97 3.1-3.5 4.6/2406=38, 9963/2.1=35...(14) HB3 GLU 75 - QG2 VAL 76 far 0 100 0 - 4.3-4.6 HG2 GLN 72 - QG2 VAL 76 far 0 79 0 - 4.6-4.9 HG3 GLU 54 - QD2 LEU 55 far 0 63 0 - 4.9-5.3 HB3 GLN 72 - QG2 VAL 76 far 0 98 0 - 5.0-5.3 HG3 GLU 101 - QG2 VAL 76 far 0 94 0 - 5.7-6.0 HG2 GLU 101 - QG2 VAL 76 far 0 95 0 - 6.9-7.2 HG2 GLN 96 - QG2 VAL 76 far 0 100 0 - 7.1-7.7 HG2 GLN 72 - QD2 LEU 55 far 0 43 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 10502 from cnoeabs.peaks (7.30, 0.29, 21.33 ppm; 3.44 A): 2 out of 7 assignments used, quality = 1.00: QD PHE 99 + QG2 VAL 76 OK 99 100 100 100 2.2-2.7 10168=58, 9921/2393=40...(23) QE PHE 104 + QG2 VAL 76 OK 93 100 100 93 3.5-4.0 2.2/10504=54, ~9918=29...(13) HZ PHE 10 - QD2 LEU 55 far 0 57 0 - 5.3-5.5 QE PHE 79 - QG2 VAL 76 far 0 100 0 - 5.4-6.3 HE3 TRP 60 - QD2 LEU 55 far 0 62 0 - 7.4-7.8 HE3 TRP 80 - QG2 VAL 76 far 0 100 0 - 8.0-8.2 HZ2 TRP 48 - QD2 LEU 55 far 0 57 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 10503 from cnoeabs.peaks (7.03, 0.29, 21.33 ppm; 3.75 A): 2 out of 8 assignments used, quality = 0.95: QE PHE 99 + QG2 VAL 76 OK 89 90 100 100 2.9-3.1 2.2/10984=62...(21) QD PHE 10 + QD2 LEU 55 OK 54 56 100 97 2.9-3.2 2.2/11255=69...(15) QE PHE 40 - QD2 LEU 55 far 0 30 0 - 4.8-5.1 H LYS 58 - QD2 LEU 55 far 0 56 0 - 5.0-5.2 HE22 GLN 72 - QG2 VAL 76 far 0 70 0 - 6.5-6.8 HD21 ASN 68 - QD2 LEU 55 far 0 44 0 - 7.6-8.1 HD21 ASN 68 - QG2 VAL 76 far 0 81 0 - 9.0-9.3 HE22 GLN 72 - QD2 LEU 55 far 0 37 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 10504 from cnoeabs.peaks (6.87, 0.29, 21.33 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.98: HZ PHE 104 + QG2 VAL 76 OK 98 99 100 99 3.0-3.4 9918/2.1=62...(11) H TRP 60 - QD2 LEU 55 far 0 58 0 - 7.2-7.8 H ASP 65 - QD2 LEU 55 far 0 57 0 - 7.5-7.9 HD1 TRP 42 - QG2 VAL 76 far 0 59 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10505 from cnoeabs.peaks (8.14, 0.29, 21.33 ppm; 5.12 A increased from 4.55 A): 1 out of 4 assignments used, quality = 0.88: H PHE 79 + QG2 VAL 76 OK 88 91 100 97 4.9-5.0 7135/2393=80...(5) H LEU 70 - QD2 LEU 55 far 0 35 0 - 6.5-6.8 H PHE 10 - QD2 LEU 55 far 0 35 0 - 7.3-7.5 H LEU 70 - QG2 VAL 76 far 0 68 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 10506 from cnoeabs.peaks (2.17, 7.31, 131.10 ppm; 5.45 A): 4 out of 10 assignments used, quality = 0.99: HB VAL 102 + QE PHE 104 OK 78 78 100 100 2.3-3.5 ~11147=73, ~10828=61...(16) HG12 ILE 90 + QE PHE 79 OK 73 73 100 100 3.2-4.8 2.1/10685=99, 9484=35...(8) HG3 GLN 96 + QE PHE 104 OK 60 60 100 100 5.0-5.2 10965=66, 10964/2.2=60...(12) HB3 GLU 94 + QE PHE 79 OK 52 95 100 55 4.7-5.8 3562/10685=30...(5) HG2 GLU 94 - QE PHE 79 far 0 91 0 - 6.6-7.7 HB3 GLU 94 - QE PHE 104 far 0 83 0 - 6.7-7.3 HG12 ILE 90 - QE PHE 104 far 0 62 0 - 7.1-8.8 HB VAL 102 - QE PHE 79 far 0 90 0 - 8.2-9.1 HG2 GLU 94 - QE PHE 104 far 0 79 0 - 8.5-9.1 HG3 GLN 96 - QE PHE 79 far 0 71 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 10507 from cnoeabs.peaks (0.93, 7.31, 131.10 ppm; 4.54 A): 2 out of 9 assignments used, quality = 0.98: QG1 VAL 76 + QE PHE 104 OK 87 88 100 100 3.2-4.0 9918/2.2=76, ~10504=57...(14) QG1 VAL 14 + QE PHE 104 OK 81 81 100 100 2.2-3.1 11228=89, 11227/2.2=67...(15) QG1 VAL 76 - QE PHE 79 poor 20 98 20 - 4.9-6.4 QG2 VAL 103 - QE PHE 104 far 0 58 0 - 5.4-5.9 QG1 VAL 14 - QE PHE 79 far 0 93 0 - 5.8-7.7 HB2 LEU 15 - QE PHE 104 far 0 69 0 - 7.6-8.4 QG2 THR 74 - QE PHE 79 far 0 71 0 - 9.4-10.0 QG1 VAL 69 - QE PHE 104 far 0 53 0 - 9.9-10.4 QG2 THR 74 - QE PHE 104 far 0 60 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10508 from cnoeabs.peaks (0.85, 7.31, 131.10 ppm; 4.67 A): 2 out of 13 assignments used, quality = 0.95: QG2 VAL 102 + QE PHE 104 OK 89 89 100 100 3.9-4.5 11147/2.2=84, ~10828=46...(17) HD2 LYS 98 + QE PHE 79 OK 50 94 60 89 3.8-6.2 ~10700=26, 3.0/10149=24...(13) QG1 VAL 103 - QE PHE 104 far 0 78 0 - 5.5-5.8 HD2 LYS 98 - QE PHE 104 far 0 82 0 - 6.0-7.8 QD1 LEU 12 - QE PHE 104 far 0 92 0 - 7.2-7.7 QG2 VAL 102 - QE PHE 79 far 0 99 0 - 7.2-8.1 QG2 ILE 11 - QE PHE 104 far 0 92 0 - 7.2-7.8 QD1 LEU 109 - QE PHE 104 far 0 90 0 - 7.6-13.7 HG LEU 15 - QE PHE 104 far 0 90 0 - 7.9-8.7 HB2 LYS 84 - QE PHE 79 far 0 98 0 - 9.1-10.8 QD1 LEU 17 - QE PHE 104 far 0 87 0 - 9.1-10.0 QD2 LEU 17 - QE PHE 104 far 0 91 0 - 9.2-9.9 QG2 VAL 25 - QE PHE 104 far 0 92 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10509 from cnoeabs.peaks (0.65, 7.31, 131.10 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.96: QD1 ILE 90 + QE PHE 79 OK 96 97 100 99 2.2-2.8 10685=96, 8522/8521=25...(9) QD1 ILE 90 - QE PHE 104 far 4 86 5 - 4.6-6.0 QD2 LEU 12 - QE PHE 104 far 0 81 0 - 5.2-5.9 QD2 LEU 12 - QE PHE 79 far 0 93 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 10510 from cnoeabs.peaks (0.57, 7.31, 131.10 ppm; 5.03 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 83 + QE PHE 79 OK 99 99 100 100 2.5-3.0 2.1/10584=99...(17) QD1 LEU 83 + QE PHE 79 OK 75 75 100 100 2.6-3.5 10584=75, ~10590=70...(14) QD1 LEU 83 - QE PHE 104 far 3 64 5 - 5.5-6.6 QD2 LEU 83 - QE PHE 104 far 0 90 0 - 6.9-7.9 QD1 ILE 77 - QE PHE 104 far 0 85 0 - 8.4-9.0 QD1 ILE 77 - QE PHE 79 far 0 96 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10511 from cnoeabs.peaks (-0.03, 7.31, 131.10 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 95 + QE PHE 79 OK 99 100 100 99 2.0-4.6 10124/10685=84...(7) QB ALA 95 + QE PHE 104 OK 90 91 100 99 1.9-2.5 10131/2.2=90...(7) HB VAL 21 - QE PHE 104 far 0 90 0 - 7.4-8.1 HB VAL 21 - QE PHE 79 far 0 99 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 10512 from cnoeabs.peaks (5.10, 6.81, 114.33 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.98: HA ASN 20 + HZ2 TRP 80 OK 98 99 100 99 2.1-2.8 3.0/8114=86...(8) Violated in 0 structures by 0.00 A. Peak 10513 from cnoeabs.peaks (4.49, 6.81, 114.33 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.71: HA GLN 19 + HZ2 TRP 80 OK 71 100 100 71 2.9-4.4 3.6/8114=65, 9425/11007=18 HA GLN 89 - HZ2 TRP 80 far 0 99 0 - 7.6-10.5 Violated in 1 structures by 0.00 A. Peak 10515 from cnoeabs.peaks (3.87, 6.88, 124.11 ppm; 5.72 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 43 + HH2 TRP 80 OK 100 100 100 100 3.5-4.2 11129=100, 1.8/9247=90...(7) HA GLN 81 + HH2 TRP 80 OK 98 100 100 98 4.5-4.6 10661/2.4=92...(5) Violated in 0 structures by 0.00 A. Peak 10517 from cnoeabs.peaks (2.78, 6.81, 114.33 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.96: HE3 LYS 84 + HZ2 TRP 80 OK 96 97 100 100 3.8-4.1 11007=87, ~10906=62...(10) HG2 GLN 81 - HZ2 TRP 80 poor 20 100 20 - 5.8-8.9 HB2 ASP 18 - HZ2 TRP 80 far 3 61 5 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 10525 from cnoeabs.peaks (7.53, 3.69, 57.82 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 83 + HA LEU 83 OK 99 99 100 100 2.8-2.8 3.0=100 H GLN 86 + HA LEU 83 OK 71 79 100 91 3.1-3.6 10021=51, 4.0/10025=36...(9) HD22 ASN 87 - HA LEU 83 far 0 94 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 10530 from cnoeabs.peaks (3.69, 3.69, 57.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 83 + HA LEU 83 OK 100 100 - 100 Peak 10532 from cnoeabs.peaks (2.28, 3.69, 57.82 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.99: HB2 GLN 86 + HA LEU 83 OK 98 98 100 100 3.9-4.5 1.8/10025=74...(17) HG2 GLN 86 + HA LEU 83 OK 64 99 65 99 4.9-5.3 3.0/10025=61...(11) HG2 GLN 89 - HA LEU 83 far 0 75 0 - 5.5-9.6 Violated in 0 structures by 0.00 A. Peak 10533 from cnoeabs.peaks (1.56, 3.69, 57.82 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 83 + HA LEU 83 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 88 + HA LEU 83 OK 33 67 50 97 3.4-5.0 3.7/10063=42...(16) HD3 LYS 88 - HA LEU 83 poor 19 67 30 97 3.7-5.3 3.7/10063=42...(17) HB3 LYS 84 - HA LEU 83 far 0 61 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 10534 from cnoeabs.peaks (1.35, 3.69, 57.82 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 83 + HA LEU 83 OK 100 100 100 100 3.3-3.6 3.7=100 HG3 LYS 88 + HA LEU 83 OK 76 77 100 99 2.3-3.7 3.0/10063=47...(22) HG3 LYS 84 - HA LEU 83 far 0 87 0 - 5.0-7.8 HD3 LYS 84 - HA LEU 83 far 0 92 0 - 5.5-9.0 Violated in 0 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (1.23, 3.69, 57.82 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.99: HB2 LEU 83 + HA LEU 83 OK 98 98 100 100 2.4-3.0 3.0=100 HG2 LYS 88 + HA LEU 83 OK 63 79 80 99 1.9-4.8 3.0/10063=54...(20) HG2 LYS 84 - HA LEU 83 far 0 92 0 - 5.1-7.8 HD2 LYS 84 - HA LEU 83 far 0 85 0 - 5.3-9.0 Violated in 0 structures by 0.00 A. Peak 10536 from cnoeabs.peaks (0.56, 3.69, 57.82 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 83 + HA LEU 83 OK 100 100 100 100 1.9-2.3 10579=99, 10589/3.0=42...(25) QD1 LEU 83 - HA LEU 83 far 3 59 5 - 3.5-3.9 Violated in 0 structures by 0.00 A. Peak 10541 from cnoeabs.peaks (3.68, 1.35, 26.27 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 83 + HG LEU 83 OK 100 100 100 100 3.3-3.6 3.7=100 HB3 PHE 79 + HG LEU 83 OK 28 97 30 97 4.6-6.0 ~10590=52, ~10839=39...(11) Violated in 0 structures by 0.00 A. Peak 10542 from cnoeabs.peaks (3.69, 1.56, 40.25 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 83 + HB3 LEU 83 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 79 - HB3 LEU 83 far 0 94 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 10543 from cnoeabs.peaks (1.55, 1.56, 40.25 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HB3 LEU 83 + HB3 LEU 83 OK 99 99 - 100 Peak 10544 from cnoeabs.peaks (1.35, 1.56, 40.25 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 83 + HB3 LEU 83 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 84 - HB3 LEU 83 far 13 84 15 - 3.5-6.9 HD3 LYS 84 - HB3 LEU 83 far 9 90 10 - 3.9-7.6 HG3 LYS 88 - HB3 LEU 83 far 4 81 5 - 3.6-6.2 Violated in 0 structures by 0.00 A. Peak 10545 from cnoeabs.peaks (1.24, 1.56, 40.25 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 83 + HB3 LEU 83 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 84 - HB3 LEU 83 poor 15 73 20 - 3.6-6.8 HD2 LYS 84 - HB3 LEU 83 far 6 63 10 - 3.4-7.7 Violated in 0 structures by 0.00 A. Peak 10546 from cnoeabs.peaks (3.69, 1.24, 40.25 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 83 + HB2 LEU 83 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 79 - HB2 LEU 83 far 0 94 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 10547 from cnoeabs.peaks (1.55, 1.24, 40.25 ppm; 3.58 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 83 + HB2 LEU 83 OK 99 99 100 100 1.8-1.8 1.8=100 HD2 LYS 88 - HB2 LEU 83 far 12 82 15 - 4.0-6.7 HD3 LYS 88 - HB2 LEU 83 far 12 82 15 - 4.1-7.5 HB3 LYS 84 - HB2 LEU 83 far 0 77 0 - 5.5-6.8 Violated in 0 structures by 0.00 A. Peak 10548 from cnoeabs.peaks (1.35, 1.24, 40.25 ppm; 3.74 A): 3 out of 5 assignments used, quality = 1.00: HG LEU 83 + HB2 LEU 83 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 88 + HB2 LEU 83 OK 57 63 90 99 2.7-5.4 1.8/11293=47, ~10565=38...(19) HG3 LYS 88 + HB2 LEU 83 OK 32 71 45 99 3.7-6.1 10075/3.1=41...(21) HD3 LYS 84 - HB2 LEU 83 far 5 95 5 - 3.6-8.8 HG3 LYS 84 - HB2 LEU 83 far 5 91 5 - 3.4-8.0 Violated in 0 structures by 0.00 A. Peak 10549 from cnoeabs.peaks (1.24, 1.24, 40.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 83 + HB2 LEU 83 OK 100 100 - 100 Peak 10550 from cnoeabs.peaks (0.56, 1.24, 40.25 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 83 + HB2 LEU 83 OK 100 100 100 100 2.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 10551 from cnoeabs.peaks (0.58, 1.24, 40.25 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 83 + HB2 LEU 83 OK 94 94 100 100 2.0-2.4 3.1=100 QD2 LEU 83 + HB2 LEU 83 OK 91 91 100 100 2.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 10552 from cnoeabs.peaks (0.56, 1.56, 40.25 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 83 + HB3 LEU 83 OK 100 100 100 100 2.3-3.2 3.1=100 QD1 LEU 83 + HB3 LEU 83 OK 59 59 100 100 2.2-2.7 3.1=100 Violated in 0 structures by 0.00 A. Peak 10553 from cnoeabs.peaks (0.59, 1.56, 40.25 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 83 + HB3 LEU 83 OK 97 97 100 100 2.2-2.7 3.1=100 QD2 LEU 83 + HB3 LEU 83 OK 85 85 100 100 2.3-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 10554 from cnoeabs.peaks (3.79, 1.56, 40.25 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: HA TRP 80 + HB3 LEU 83 OK 94 94 100 100 3.3-4.5 9997=93, 10580/3.1=70...(7) HA LYS 84 + HB3 LEU 83 OK 93 96 100 97 4.1-4.8 2.9/10558=73, ~10592=31...(13) HB2 PHE 79 - HB3 LEU 83 far 0 100 0 - 7.9-8.8 HB3 TRP 16 - HB3 LEU 83 far 0 99 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 10555 from cnoeabs.peaks (7.53, 1.56, 40.25 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 83 + HB3 LEU 83 OK 100 100 100 100 2.6-3.6 4.0=100 H GLN 86 - HB3 LEU 83 far 0 71 0 - 5.1-5.8 H ALA 95 - HB3 LEU 83 far 0 99 0 - 8.8-10.4 HD22 ASN 87 - HB3 LEU 83 far 0 90 0 - 9.2-10.3 HZ2 TRP 42 - HB3 LEU 83 far 0 94 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 10556 from cnoeabs.peaks (7.53, 1.24, 40.25 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 83 + HB2 LEU 83 OK 100 100 100 100 2.7-3.6 4.0=100 H GLN 86 - HB2 LEU 83 poor 19 71 50 54 5.1-5.6 10021/3.0=48...(3) H ALA 95 - HB2 LEU 83 far 0 99 0 - 8.6-10.0 HD22 ASN 87 - HB2 LEU 83 far 0 90 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10557 from cnoeabs.peaks (7.66, 1.24, 40.25 ppm; 5.41 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 84 + HB2 LEU 83 OK 100 100 100 100 3.1-4.1 4.2=100 QD PHE 79 - HB2 LEU 83 far 0 81 0 - 6.0-6.9 HE3 TRP 16 - HB2 LEU 83 far 0 90 0 - 8.0-9.5 HE21 GLN 19 - HB2 LEU 83 far 0 82 0 - 9.6-12.8 H GLU 94 - HB2 LEU 83 far 0 98 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10558 from cnoeabs.peaks (7.66, 1.56, 40.25 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 84 + HB3 LEU 83 OK 100 100 100 100 2.9-4.1 4.2=97, 10560/4.0=51...(9) QD PHE 79 - HB3 LEU 83 far 0 81 0 - 5.8-6.7 HE3 TRP 16 - HB3 LEU 83 far 0 90 0 - 7.4-8.8 HE21 GLN 19 - HB3 LEU 83 far 0 82 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 10559 from cnoeabs.peaks (7.66, 3.69, 57.82 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 84 + HA LEU 83 OK 100 100 100 100 3.4-3.5 3.6=100 QD PHE 79 - HA LEU 83 far 0 80 0 - 5.9-6.5 HE3 TRP 16 - HA LEU 83 far 0 89 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 10561 from cnoeabs.peaks (3.68, 2.94, 40.80 ppm; 5.03 A): 4 out of 6 assignments used, quality = 1.00: HA LEU 83 + HB3 ASP 82 OK 98 99 100 100 5.2-5.5 3.0/10376=89...(6) HB3 PHE 79 + HB3 ASP 82 OK 94 99 95 100 5.1-5.6 3.0/10370=87, ~10372=69...(8) HA GLN 96 + HB2 PHE 104 OK 71 82 100 86 4.1-4.6 10696/2.5=70...(3) HA GLN 96 + HB3 PHE 104 OK 67 83 95 85 4.7-5.7 10696/2.5=70...(3) HA2 GLY 97 - HB2 PHE 104 far 0 91 0 - 8.1-9.0 HA2 GLY 97 - HB3 PHE 104 far 0 92 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (3.68, 2.68, 40.80 ppm; 4.96 A): 2 out of 8 assignments used, quality = 1.00: HA LEU 83 + HB2 ASP 82 OK 100 100 100 100 3.8-3.9 3.0/10374=90...(9) HA GLU 63 + HB3 ASP 65 OK 44 45 100 98 5.1-5.3 6851/6857=63...(7) HB3 PHE 79 - HB2 ASP 82 far 5 98 5 - 5.4-6.3 HA GLN 50 - HB2 PHE 40 far 0 77 0 - 6.5-6.8 HA LEU 55 - HB3 ASP 65 far 0 31 0 - 7.1-8.0 HB3 SER 9 - HB3 ASP 65 far 0 28 0 - 7.1-7.8 HB2 SER 9 - HB3 ASP 65 far 0 27 0 - 7.7-8.5 HB3 SER 38 - HB2 PHE 40 far 0 74 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 10563 from cnoeabs.peaks (1.22, 0.56, 22.31 ppm; 2.97 A): 2 out of 4 assignments used, quality = 0.98: HB2 LEU 83 + QD2 LEU 83 OK 95 97 100 98 2.2-3.2 3.1=89, 3.0/10579=51...(9) HG2 LYS 88 + QD2 LEU 83 OK 56 82 70 98 2.2-3.8 1.8/10075=49...(19) HG2 LYS 84 - QD2 LEU 83 far 0 94 0 - 5.7-8.3 HD2 LYS 84 - QD2 LEU 83 far 0 88 0 - 5.9-9.2 Violated in 0 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (1.52, 0.56, 22.31 ppm; 3.22 A increased from 2.86 A): 3 out of 4 assignments used, quality = 1.00: HD2 LYS 88 + QD2 LEU 83 OK 99 100 100 99 1.9-3.4 10085=51, 3.0/10075=44...(17) HB3 LEU 83 + QD2 LEU 83 OK 70 70 100 100 2.3-3.2 3.1=100 HD3 LYS 88 + QD2 LEU 83 OK 49 100 50 99 1.9-4.4 3.0/10075=44...(17) HB3 LYS 84 - QD2 LEU 83 far 0 100 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 10565 from cnoeabs.peaks (1.68, 0.56, 22.31 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: HB3 LYS 88 + QD2 LEU 83 OK 100 100 100 100 1.9-2.2 10073=84, 1.8/10072=55...(17) Violated in 0 structures by 0.00 A. Peak 10566 from cnoeabs.peaks (1.83, 0.56, 22.31 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLN 86 + QD2 LEU 83 OK 100 100 100 100 3.4-3.7 10087/10565=64, 10039=61...(16) HB2 GLN 89 - QD2 LEU 83 far 0 71 0 - 6.5-7.3 HB VAL 76 - QD2 LEU 83 far 0 92 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 10567 from cnoeabs.peaks (2.26, 0.56, 22.31 ppm; 4.94 A increased from 4.39 A): 2 out of 7 assignments used, quality = 1.00: HB2 GLN 86 + QD2 LEU 83 OK 100 100 100 100 4.4-4.8 1.8/10566=93...(14) HG2 GLN 86 + QD2 LEU 83 OK 26 87 30 100 5.4-5.7 3.0/10566=79...(8) HG3 GLN 89 - QD2 LEU 83 far 0 85 0 - 5.6-7.9 HG2 GLN 89 - QD2 LEU 83 far 0 96 0 - 5.7-7.8 HG3 GLU 94 - QD2 LEU 83 far 0 99 0 - 7.4-8.0 HB3 GLU 75 - QD2 LEU 83 far 0 99 0 - 8.8-9.8 HB2 GLU 75 - QD2 LEU 83 far 0 99 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 10568 from cnoeabs.peaks (1.22, 0.60, 26.39 ppm; 3.67 A): 1 out of 5 assignments used, quality = 0.94: HB2 LEU 83 + QD1 LEU 83 OK 94 94 100 100 2.0-2.4 3.1=100 HG2 LYS 88 - QD1 LEU 83 far 0 88 0 - 4.5-5.6 HD2 LYS 84 - QD1 LEU 83 far 0 93 0 - 4.8-8.5 HG2 LYS 84 - QD1 LEU 83 far 0 97 0 - 5.0-8.1 HB3 LEU 15 - QD1 LEU 83 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 10569 from cnoeabs.peaks (0.77, 0.60, 26.39 ppm; 3.72 A increased from 3.50 A): 1 out of 2 assignments used, quality = 0.92: QG2 ILE 90 + QD1 LEU 83 OK 92 99 100 92 2.0-3.7 10570/2.1=77...(8) QG2 ILE 23 - QD1 LEU 83 far 0 77 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 10570 from cnoeabs.peaks (0.79, 0.56, 22.31 ppm; 3.22 A increased from 3.03 A): 1 out of 2 assignments used, quality = 0.85: QG2 ILE 90 + QD2 LEU 83 OK 85 100 100 85 3.0-3.2 10569/2.1=50...(17) QG2 ILE 23 - QD2 LEU 83 far 0 94 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 10571 from cnoeabs.peaks (1.22, 1.35, 26.27 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.97: HB2 LEU 83 + HG LEU 83 OK 97 97 100 100 2.5-3.0 3.0=100 HG2 LYS 88 - HG LEU 83 far 4 82 5 - 4.6-6.9 HG2 LYS 84 - HG LEU 83 far 0 94 0 - 4.9-8.7 HD2 LYS 84 - HG LEU 83 far 0 88 0 - 5.5-9.4 Violated in 0 structures by 0.00 A. Peak 10572 from cnoeabs.peaks (1.55, 1.35, 26.27 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 83 + HG LEU 83 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 88 - HG LEU 83 far 0 82 0 - 4.6-6.6 HD3 LYS 88 - HG LEU 83 far 0 82 0 - 4.7-7.6 HB3 LYS 84 - HG LEU 83 far 0 77 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 10573 from cnoeabs.peaks (1.55, 0.60, 26.39 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: HB3 LEU 83 + QD1 LEU 83 OK 100 100 100 100 2.2-2.7 3.1=100 HD3 LYS 88 - QD1 LEU 83 poor 20 73 30 90 3.9-6.4 ~10075=31, ~10085=31...(14) HD2 LYS 88 - QD1 LEU 83 poor 18 73 25 - 4.0-5.3 HB3 LYS 84 - QD1 LEU 83 far 0 68 0 - 6.8-7.3 HG13 ILE 77 - QD1 LEU 83 far 0 92 0 - 8.7-9.9 QB ALA 73 - QD1 LEU 83 far 0 81 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10574 from cnoeabs.peaks (1.97, 0.60, 26.39 ppm; 4.95 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 90 + QD1 LEU 83 OK 95 97 100 98 2.2-3.7 3.2/10569=84, ~10570=59...(6) HB ILE 90 + QD1 LEU 83 OK 93 93 100 100 4.1-5.1 2.1/10569=96, ~10570=76...(6) HB3 GLN 89 - QD1 LEU 83 poor 19 97 20 - 5.0-6.8 HB2 GLU 94 - QD1 LEU 83 far 5 98 5 - 5.0-6.7 HB3 GLN 19 - QD1 LEU 83 far 0 98 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 10575 from cnoeabs.peaks (3.68, 0.60, 26.39 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 83 + QD1 LEU 83 OK 100 100 100 100 3.5-3.9 3.8=100 HB3 PHE 79 + QD1 LEU 83 OK 24 97 25 98 4.5-5.8 4.4/10584=48, ~10590=44...(11) HA GLN 96 - QD1 LEU 83 far 0 96 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 10576 from cnoeabs.peaks (3.77, 0.60, 26.39 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: HA TRP 80 + QD1 LEU 83 OK 100 100 100 100 1.9-3.5 10580/2.1=70, 10004=63...(11) HB2 PHE 79 - QD1 LEU 83 far 0 96 0 - 5.5-6.5 HA LYS 84 - QD1 LEU 83 far 0 73 0 - 5.7-5.9 HB3 TRP 16 - QD1 LEU 83 far 0 100 0 - 6.2-6.8 HA LYS 98 - QD1 LEU 83 far 0 61 0 - 8.3-10.2 HA3 GLY 97 - QD1 LEU 83 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 10577 from cnoeabs.peaks (2.67, 0.56, 22.31 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASP 82 + QD2 LEU 83 OK 100 100 100 100 2.4-3.3 10404=100, 1.8/10247=91...(10) HB2 ASN 87 - QD2 LEU 83 far 0 94 0 - 7.2-7.4 HE2 LYS 84 - QD2 LEU 83 far 0 90 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 10578 from cnoeabs.peaks (2.88, 0.56, 22.31 ppm; 3.93 A increased from 3.49 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 88 + QD2 LEU 83 OK 100 100 100 100 3.5-4.3 3.8/10075=52, 10084=49...(18) HE3 LYS 88 + QD2 LEU 83 OK 100 100 100 100 2.7-4.3 3.8/10075=52, 10084=49...(18) HB2 ASN 85 - QD2 LEU 83 far 0 92 0 - 6.2-8.2 HB2 ASN 78 - QD2 LEU 83 far 0 65 0 - 7.6-8.4 HB3 ASN 78 - QD2 LEU 83 far 0 88 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 10579 from cnoeabs.peaks (3.68, 0.56, 22.31 ppm; 2.73 A): 1 out of 3 assignments used, quality = 0.98: * HA LEU 83 + QD2 LEU 83 OK 98 100 100 98 1.9-2.3 10536=73, 3.0/10589=34...(24) HB3 PHE 79 - QD2 LEU 83 far 0 97 0 - 4.4-5.6 HA GLN 96 - QD2 LEU 83 far 0 96 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 10580 from cnoeabs.peaks (3.78, 0.56, 22.31 ppm; 3.97 A increased from 3.74 A): 1 out of 6 assignments used, quality = 1.00: HA TRP 80 + QD2 LEU 83 OK 100 100 100 100 3.7-3.9 10576/2.1=72...(12) HB2 PHE 79 - QD2 LEU 83 far 0 98 0 - 5.0-5.7 HA LYS 84 - QD2 LEU 83 far 0 81 0 - 5.8-6.0 HA LYS 98 - QD2 LEU 83 far 0 70 0 - 8.0-9.5 HB3 TRP 16 - QD2 LEU 83 far 0 100 0 - 8.6-9.0 HA3 GLY 97 - QD2 LEU 83 far 0 99 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10581 from cnoeabs.peaks (4.48, 0.56, 22.31 ppm; 4.48 A increased from 4.21 A): 2 out of 4 assignments used, quality = 0.98: HA LYS 88 + QD2 LEU 83 OK 92 92 100 100 4.3-4.4 10071=89, 3.0/10565=87...(21) HA GLN 89 + QD2 LEU 83 OK 70 85 95 86 4.6-5.5 10582/2.1=66...(9) HA GLN 19 - QD2 LEU 83 far 0 94 0 - 9.1-11.0 HA VAL 21 - QD2 LEU 83 far 0 73 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 10582 from cnoeabs.peaks (4.49, 0.60, 26.39 ppm; 4.72 A): 1 out of 3 assignments used, quality = 0.80: HA GLN 89 + QD1 LEU 83 OK 80 98 100 82 3.0-4.7 3.6/11200=57...(8) HA LYS 88 - QD1 LEU 83 far 15 99 15 - 4.8-5.8 HA GLN 19 - QD1 LEU 83 far 0 100 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 10583 from cnoeabs.peaks (6.76, 0.56, 22.31 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 86 + QD2 LEU 83 OK 100 100 100 100 3.5-3.8 10046=100, 1.7/10049=78...(12) HE21 GLN 89 - QD2 LEU 83 far 0 92 0 - 5.2-8.7 Violated in 0 structures by 0.00 A. Peak 10584 from cnoeabs.peaks (7.30, 0.60, 26.39 ppm; 3.51 A): 1 out of 7 assignments used, quality = 0.91: QE PHE 79 + QD1 LEU 83 OK 91 100 100 91 2.6-3.5 ~10590=35, 10587/2.1=26...(14) HE22 GLN 86 - QD1 LEU 83 far 0 71 0 - 5.1-5.6 QE PHE 104 - QD1 LEU 83 far 0 100 0 - 5.5-6.6 HE3 TRP 80 - QD1 LEU 83 far 0 100 0 - 5.6-7.4 QD PHE 99 - QD1 LEU 83 far 0 100 0 - 6.0-7.4 H ASN 20 - QD1 LEU 83 far 0 100 0 - 7.3-9.3 HE22 GLN 81 - QD1 LEU 83 far 0 81 0 - 7.8-10.4 Violated in 4 structures by 0.00 A. Peak 10585 from cnoeabs.peaks (7.49, 0.60, 26.39 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.94: HZ2 TRP 16 + QD1 LEU 83 OK 87 96 100 91 1.9-2.0 2.5/11198=49...(7) H LEU 83 + QD1 LEU 83 OK 52 59 100 88 3.5-3.9 4.7=36, 10538/2.1=31...(8) HZ2 TRP 42 - QD1 LEU 83 far 0 87 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 10586 from cnoeabs.peaks (7.67, 0.60, 26.39 ppm; 4.40 A increased from 3.91 A): 2 out of 6 assignments used, quality = 0.99: H LYS 84 + QD1 LEU 83 OK 93 99 95 99 4.6-5.1 4.9=71, 10558/3.1=65...(8) QD PHE 79 + QD1 LEU 83 OK 92 92 100 100 3.3-4.3 2.2/10584=90...(15) HE3 TRP 16 - QD1 LEU 83 far 5 97 5 - 4.9-5.4 H GLU 94 - QD1 LEU 83 far 0 92 0 - 6.7-7.4 HE21 GLN 19 - QD1 LEU 83 far 0 68 0 - 8.1-10.7 HD21 ASN 20 - QD1 LEU 83 far 0 73 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 10587 from cnoeabs.peaks (7.29, 0.56, 22.31 ppm; 3.24 A): 3 out of 8 assignments used, quality = 0.99: HE22 GLN 86 + QD2 LEU 83 OK 90 96 100 94 2.6-3.1 1.7/10046=55, 10049=46...(13) QE PHE 79 + QD2 LEU 83 OK 87 94 100 93 2.5-3.0 10584/2.1=51...(13) HZ PHE 79 + QD2 LEU 83 OK 45 59 100 76 2.3-3.2 3.8/10590=34, ~10584=31...(8) QD PHE 99 - QD2 LEU 83 far 0 98 0 - 6.4-7.7 QE PHE 104 - QD2 LEU 83 far 0 88 0 - 6.9-7.9 HE3 TRP 80 - QD2 LEU 83 far 0 98 0 - 7.0-7.3 H PHE 99 - QD2 LEU 83 far 0 75 0 - 8.4-9.4 H ASN 20 - QD2 LEU 83 far 0 88 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10588 from cnoeabs.peaks (7.47, 0.56, 22.31 ppm; 3.86 A increased from 3.63 A): 1 out of 3 assignments used, quality = 0.96: HZ2 TRP 16 + QD2 LEU 83 OK 96 100 100 96 3.5-3.9 2.5/11199=64...(8) HE22 GLN 89 - QD2 LEU 83 far 0 63 0 - 5.6-9.5 HZ3 TRP 16 - QD2 LEU 83 far 0 82 0 - 5.7-5.9 Violated in 1 structures by 0.00 A. Peak 10589 from cnoeabs.peaks (7.53, 0.56, 22.31 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.99: H LEU 83 + QD2 LEU 83 OK 99 100 100 99 2.2-2.9 3.0/10579=65...(12) H GLN 86 - QD2 LEU 83 far 0 71 0 - 4.7-5.0 H ALA 95 - QD2 LEU 83 far 0 99 0 - 5.9-7.0 HD22 ASN 87 - QD2 LEU 83 far 0 90 0 - 8.8-9.1 HD21 ASN 78 - QD2 LEU 83 far 0 63 0 - 9.9-10.7 HZ2 TRP 42 - QD2 LEU 83 far 0 94 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 10590 from cnoeabs.peaks (7.66, 0.56, 22.31 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.72: QD PHE 79 + QD2 LEU 83 OK 72 73 100 98 3.2-3.9 ~10584=42...(17) H LYS 84 - QD2 LEU 83 far 5 100 5 - 4.2-4.7 HE3 TRP 16 - QD2 LEU 83 far 0 84 0 - 7.2-7.4 H GLU 94 - QD2 LEU 83 far 0 99 0 - 7.5-8.5 Violated in 3 structures by 0.01 A. Peak 10591 from cnoeabs.peaks (7.50, 1.35, 26.27 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.96: H LEU 83 + HG LEU 83 OK 82 82 100 99 1.9-2.5 10538=76, 10589/2.1=49...(9) HZ2 TRP 16 + HG LEU 83 OK 80 82 100 97 2.4-4.6 10585/2.1=52...(9) HZ2 TRP 42 - HG LEU 83 far 0 98 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 10592 from cnoeabs.peaks (7.65, 1.35, 26.27 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.97: H LYS 84 + HG LEU 83 OK 97 98 100 100 4.0-4.6 10558/3.0=81...(8) HE3 TRP 16 - HG LEU 83 far 0 68 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 10593 from cnoeabs.peaks (7.32, 1.35, 26.27 ppm; 4.78 A): 2 out of 7 assignments used, quality = 0.99: QE PHE 79 + HG LEU 83 OK 98 99 100 100 4.1-4.6 10584/2.1=92, ~10590=64...(14) HH2 TRP 16 + HG LEU 83 OK 58 59 100 98 2.6-4.0 ~10588=59, 2.5/10591=42...(10) HE3 TRP 80 - HG LEU 83 far 0 96 0 - 6.0-6.9 QD PHE 99 - HG LEU 83 far 0 96 0 - 7.4-9.0 QE PHE 104 - HG LEU 83 far 0 100 0 - 7.7-9.0 HE22 GLN 81 - HG LEU 83 far 0 96 0 - 8.1-10.5 H ASN 20 - HG LEU 83 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 10594 from cnoeabs.peaks (8.05, 0.56, 22.31 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: H LYS 88 + QD2 LEU 83 OK 100 100 100 100 3.7-4.0 3413/10565=68...(16) Violated in 0 structures by 0.00 A. Peak 10596 from cnoeabs.peaks (2.77, 2.50, 34.23 ppm; 3.33 A): 1 out of 4 assignments used, quality = 0.99: * HG2 GLN 81 + HG3 GLN 81 OK 99 99 100 100 1.8-1.8 1.8=100 HE3 LYS 84 - HG3 GLN 81 far 0 82 0 - 4.3-7.8 HG2 GLN 81 - HG3 GLN 86 far 0 96 0 - 7.4-9.3 HE3 LYS 84 - HG3 GLN 86 far 0 76 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 10597 from cnoeabs.peaks (2.36, 2.63, 29.31 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 81 + HB3 GLN 81 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 10598 from cnoeabs.peaks (2.77, 2.78, 34.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HG2 GLN 81 + HG2 GLN 81 OK 99 99 - 100 Peak 10599 from cnoeabs.peaks (2.62, 2.78, 34.23 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 81 + HG2 GLN 81 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 10600 from cnoeabs.peaks (2.49, 2.78, 34.23 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 81 + HG2 GLN 81 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 86 - HG2 GLN 81 far 0 98 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 10601 from cnoeabs.peaks (2.36, 2.78, 34.23 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 81 + HG2 GLN 81 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 10602 from cnoeabs.peaks (2.48, 2.50, 34.23 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG3 GLN 81 + HG3 GLN 81 OK 95 95 - 100 HG3 GLN 86 + HG3 GLN 86 OK 79 79 - 100 Peak 10603 from cnoeabs.peaks (2.62, 2.50, 34.23 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 81 + HG3 GLN 81 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 81 - HG3 GLN 86 far 0 96 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 10604 from cnoeabs.peaks (3.87, 2.50, 34.23 ppm; 5.65 A): 1 out of 3 assignments used, quality = 1.00: HA GLN 81 + HG3 GLN 81 OK 100 100 100 100 2.4-3.7 3.7=100 HD3 PRO 43 - HG3 GLN 81 far 0 100 0 - 6.4-10.3 HA GLN 81 - HG3 GLN 86 far 0 97 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 10605 from cnoeabs.peaks (3.86, 2.78, 34.23 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 81 + HG2 GLN 81 OK 100 100 100 100 2.2-4.2 3.7=100 HD3 PRO 43 - HG2 GLN 81 far 0 100 0 - 5.8-9.7 Violated in 0 structures by 0.00 A. Peak 10606 from cnoeabs.peaks (2.49, 2.63, 29.31 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.99: HG3 GLN 81 + HB3 GLN 81 OK 99 99 100 100 2.4-3.0 3.0=100 HG3 GLN 86 - HB3 GLN 81 far 0 95 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 10607 from cnoeabs.peaks (2.63, 2.63, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 81 + HB3 GLN 81 OK 100 100 - 100 Peak 10608 from cnoeabs.peaks (2.78, 2.63, 29.31 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLN 81 + HB3 GLN 81 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 84 - HB3 GLN 81 poor 19 97 20 - 6.1-8.6 Violated in 0 structures by 0.00 A. Peak 10609 from cnoeabs.peaks (3.86, 2.63, 29.31 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 81 + HB3 GLN 81 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 PRO 43 - HB3 GLN 81 far 0 100 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 10610 from cnoeabs.peaks (4.38, 2.63, 29.31 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.97: * HA ASN 78 + HB3 GLN 81 OK 94 100 100 94 3.1-3.7 9989=82, 9985/4.0=51 HA ASP 82 + HB3 GLN 81 OK 54 67 95 85 4.0-5.5 ~10393=51, 10633/3.0=36...(5) HA ASN 85 - HB3 GLN 81 far 0 88 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 10611 from cnoeabs.peaks (4.38, 2.78, 34.23 ppm; 5.80 A): 2 out of 3 assignments used, quality = 0.99: * HA ASN 78 + HG2 GLN 81 OK 98 100 100 98 3.0-6.1 9989/3.0=95, 9985/4.9=64 HA ASP 82 + HG2 GLN 81 OK 72 75 100 96 3.9-5.9 ~10393=58, ~10629=52...(6) HA ASN 85 - HG2 GLN 81 far 0 82 0 - 6.7-9.1 Violated in 0 structures by 0.00 A. Peak 10613 from cnoeabs.peaks (2.62, 2.35, 29.31 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 81 + HB2 GLN 81 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 72 - HB2 GLU 101 far 0 99 0 - 4.8-5.3 HG3 GLU 75 - HB2 GLU 101 far 0 67 0 - 7.4-9.1 HB3 PHE 10 - HB2 GLU 101 far 0 65 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10614 from cnoeabs.peaks (2.77, 2.36, 29.31 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 81 + HB2 GLN 81 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 84 - HB2 GLN 81 far 0 88 0 - 5.2-7.9 Violated in 0 structures by 0.00 A. Peak 10615 from cnoeabs.peaks (3.86, 2.36, 29.31 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 81 + HB2 GLN 81 OK 100 100 100 100 2.3-2.6 3.0=100 HA VAL 69 - HB2 GLU 101 far 15 100 15 - 5.2-5.7 HD3 PRO 43 - HB2 GLN 81 far 0 100 0 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 10631 from cnoeabs.peaks (2.48, 2.35, 29.31 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.95: * HG3 GLN 81 + HB2 GLN 81 OK 95 95 100 100 2.3-3.0 3.0=100 HG3 GLN 86 - HB2 GLN 81 far 0 85 0 - 8.5-9.4 HB3 ASN 20 - HB2 GLN 81 far 0 73 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 10633 from cnoeabs.peaks (4.38, 2.50, 34.23 ppm; 4.37 A): 2 out of 6 assignments used, quality = 0.73: HA ASP 82 + HG3 GLN 81 OK 50 75 75 89 3.4-6.1 3.0/10629=41, ~10393=32...(9) HA ASP 82 + HG3 GLN 86 OK 46 69 100 66 3.5-4.0 10384=29, 10389/10644=19...(7) HA ASN 78 - HG3 GLN 81 far 10 100 10 - 3.4-6.2 HA ASN 85 - HG3 GLN 86 far 0 76 0 - 5.3-5.6 HA ASN 85 - HG3 GLN 81 far 0 82 0 - 6.6-9.2 HA ASN 78 - HG3 GLN 86 far 0 96 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10636 from cnoeabs.peaks (7.02, 2.78, 34.23 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 81 + HG2 GLN 81 OK 100 100 100 100 2.1-3.8 3.5=100 QE PHE 99 - HG2 GLN 81 far 0 79 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 10638 from cnoeabs.peaks (7.02, 2.50, 34.23 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: HE21 GLN 81 + HG3 GLN 81 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 81 - HG3 GLN 86 far 0 97 0 - 6.9-10.2 QE PHE 99 - HG3 GLN 81 far 0 85 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 10639 from cnoeabs.peaks (7.31, 2.78, 34.23 ppm; 4.37 A): 2 out of 7 assignments used, quality = 0.96: HE22 GLN 81 + HG2 GLN 81 OK 87 87 100 100 2.7-4.1 3.5=100 HE3 TRP 80 + HG2 GLN 81 OK 68 99 75 91 3.4-5.3 10659/3.7=41...(7) HH2 TRP 42 - HG2 GLN 81 far 4 71 5 - 4.9-7.2 HZ3 TRP 42 - HG2 GLN 81 far 0 82 0 - 7.3-9.6 HE22 GLN 86 - HG2 GLN 81 far 0 63 0 - 8.3-9.9 H ASN 20 - HG2 GLN 81 far 0 100 0 - 8.8-11.7 QE PHE 79 - HG2 GLN 81 far 0 100 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 10642 from cnoeabs.peaks (7.30, 2.63, 29.31 ppm; 5.71 A): 2 out of 6 assignments used, quality = 1.00: HE3 TRP 80 + HB3 GLN 81 OK 100 100 100 100 2.3-4.0 10933=84, 10659/3.0=69...(9) HE22 GLN 81 + HB3 GLN 81 OK 63 63 100 100 4.4-5.3 4.6=100 HH2 TRP 42 - HB3 GLN 81 poor 18 92 20 - 5.8-6.8 HE22 GLN 86 - HB3 GLN 81 far 0 87 0 - 7.6-9.2 QE PHE 79 - HB3 GLN 81 far 0 99 0 - 8.2-8.7 H ASN 20 - HB3 GLN 81 far 0 96 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 10644 from cnoeabs.peaks (7.96, 2.50, 34.23 ppm; 5.25 A): 2 out of 3 assignments used, quality = 0.94: HD22 ASN 85 + HG3 GLN 86 OK 85 90 100 95 3.5-4.9 10013=58, 3.5/10010=49...(7) HD22 ASN 85 + HG3 GLN 81 OK 58 95 75 81 3.3-6.6 10013=36, 10389/10384=32...(6) H VAL 76 - HG3 GLN 81 far 0 96 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 10647 from cnoeabs.peaks (9.45, 2.63, 29.31 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: H GLN 81 + HB3 GLN 81 OK 100 100 100 100 2.2-2.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 10648 from cnoeabs.peaks (9.45, 2.78, 34.23 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: H GLN 81 + HG2 GLN 81 OK 100 100 100 100 3.7-4.6 4.9=100 Violated in 0 structures by 0.00 A. Peak 10649 from cnoeabs.peaks (9.47, 2.50, 34.23 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.98: H GLN 81 + HG3 GLN 81 OK 98 98 100 100 2.9-4.5 4.9=100 H GLN 81 - HG3 GLN 86 far 0 94 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 10650 from cnoeabs.peaks (7.22, 2.78, 34.23 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.97: HZ3 TRP 80 + HG2 GLN 81 OK 95 99 100 96 2.4-5.4 10661/3.7=69...(8) HD21 ASN 85 + HG2 GLN 81 OK 45 96 70 67 3.1-7.1 10012/1.8=30, ~10644=25...(4) Violated in 0 structures by 0.00 A. Peak 10651 from cnoeabs.peaks (3.86, 3.86, 57.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 81 + HA GLN 81 OK 100 100 - 100 Peak 10652 from cnoeabs.peaks (2.78, 3.86, 57.93 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 81 + HA GLN 81 OK 100 100 100 100 2.2-4.2 3.7=100 HE3 LYS 84 + HA GLN 81 OK 94 97 100 97 3.2-5.6 3295/11174=80...(6) Violated in 0 structures by 0.00 A. Peak 10653 from cnoeabs.peaks (2.61, 3.86, 57.93 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.96: * HB3 GLN 81 + HA GLN 81 OK 96 96 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 10654 from cnoeabs.peaks (2.49, 3.86, 57.93 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.99: HG3 GLN 81 + HA GLN 81 OK 99 99 100 100 2.4-3.7 3.7=100 HG3 GLN 86 - HA GLN 81 far 0 96 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 10655 from cnoeabs.peaks (2.36, 3.86, 57.93 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 81 + HA GLN 81 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LEU 17 - HA GLN 81 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 10656 from cnoeabs.peaks (8.44, 3.86, 57.93 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.85: H ASP 82 + HA GLN 81 OK 85 85 100 100 3.5-3.5 3.6=100 H ASN 78 - HA GLN 81 far 0 95 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 10658 from cnoeabs.peaks (9.46, 3.86, 57.93 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 81 + HA GLN 81 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 10659 from cnoeabs.peaks (7.30, 3.86, 57.93 ppm; 4.23 A): 2 out of 7 assignments used, quality = 0.95: HE3 TRP 80 + HA GLN 81 OK 93 100 100 93 2.6-3.1 2.5/10661=59...(7) HE22 GLN 81 + HA GLN 81 OK 31 70 80 55 3.3-6.0 5.9=37, 1.7/9777=14...(6) HH2 TRP 42 - HA GLN 81 far 0 88 0 - 7.3-8.3 HE22 GLN 86 - HA GLN 81 far 0 82 0 - 7.8-8.2 H ASN 20 - HA GLN 81 far 0 98 0 - 8.0-8.6 QE PHE 79 - HA GLN 81 far 0 100 0 - 8.1-8.8 HZ3 TRP 42 - HA GLN 81 far 0 63 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 10661 from cnoeabs.peaks (7.23, 3.86, 57.93 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.96: HZ3 TRP 80 + HA GLN 81 OK 96 99 100 97 3.1-3.6 2.5/10659=60, ~10619=36...(10) HD21 ASN 85 - HA GLN 81 far 5 96 5 - 5.2-7.2 HZ PHE 79 - HA GLN 81 far 0 88 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10662 from cnoeabs.peaks (1.33, 0.63, 25.54 ppm; 5.98 A): 1 out of 2 assignments used, quality = 0.74: HB2 LYS 13 + QD2 LEU 12 OK 74 85 100 87 6.1-6.3 4.0/6116=80...(4) HB3 LYS 98 - QD2 LEU 12 far 0 88 0 - 7.8-8.8 Violated in 20 structures by 0.23 A. Peak 10663 from cnoeabs.peaks (8.07, 3.81, 57.36 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.94: H ASN 87 + HA LYS 84 OK 94 95 100 99 3.5-3.9 10051=91, 7530/10052=57...(7) H LYS 88 - HA LYS 84 far 0 77 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 10664 from cnoeabs.peaks (7.55, 3.81, 57.36 ppm; 4.79 A): 2 out of 3 assignments used, quality = 1.00: H GLN 86 + HA LYS 84 OK 99 99 100 100 4.0-4.7 10020=98, 7522/10051=76...(4) H LEU 83 + HA LYS 84 OK 70 81 100 87 5.2-5.3 10560/2.9=64, 7055=40...(6) HD22 ASN 87 - HA LYS 84 far 0 100 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 10665 from cnoeabs.peaks (6.89, 1.21, 27.31 ppm; 5.71 A increased from 5.37 A): 2 out of 4 assignments used, quality = 0.96: HH2 TRP 80 + HD2 LYS 84 OK 91 92 100 100 2.6-6.3 10906/3.0=65, ~11007=64...(10) HH2 TRP 80 + HG2 LYS 84 OK 56 99 65 87 3.8-7.1 10906/3.8=58...(4) H LEU 17 - HD2 LYS 84 far 0 60 0 - 7.3-12.4 H LEU 17 - HG2 LYS 84 far 0 68 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 10666 from cnoeabs.peaks (6.80, 1.21, 27.31 ppm; 5.71 A increased from 5.38 A): 2 out of 8 assignments used, quality = 0.92: HZ2 TRP 80 + HD2 LYS 84 OK 86 92 95 98 2.9-6.7 10902/3.0=66...(7) HZ2 TRP 80 + HG2 LYS 84 OK 44 99 50 89 4.6-7.4 10902/3.8=59...(4) HD21 ASN 87 - HG2 LYS 84 far 0 88 0 - 7.1-10.5 HD1 TRP 42 - HD2 LYS 84 far 0 70 0 - 7.2-11.0 HD21 ASN 87 - HD2 LYS 84 far 0 80 0 - 8.1-11.6 HD1 TRP 42 - HG2 LYS 84 far 0 79 0 - 8.2-12.0 HE21 GLN 86 - HG2 LYS 84 far 0 63 0 - 8.8-11.6 HE21 GLN 86 - HD2 LYS 84 far 0 56 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 10668 from cnoeabs.peaks (1.51, 2.27, 29.86 ppm; 5.12 A increased from 4.31 A): 2 out of 10 assignments used, quality = 1.00: HD2 LYS 88 + HB2 GLN 86 OK 100 100 100 100 3.3-5.0 3.0/10083=92...(26) HD3 LYS 88 + HB2 GLN 86 OK 100 100 100 100 3.5-5.2 3.0/10083=92...(27) QB ALA 73 - HB2 GLU 75 far 0 82 0 - 5.8-6.0 QB ALA 73 - HB3 GLU 75 far 0 82 0 - 7.1-7.2 HB3 LYS 84 - HB2 GLN 86 far 0 100 0 - 8.1-8.5 HB2 LEU 109 - HB2 GLN 19 far 0 61 0 - 8.3-27.5 HG2 PRO 43 - HB2 GLN 19 far 0 67 0 - 8.4-9.2 HG LEU 12 - HB2 GLU 75 far 0 80 0 - 8.4-8.7 HG LEU 109 - HB2 GLN 19 far 0 91 0 - 8.9-28.6 HB3 LYS 84 - HB2 GLN 19 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10669 from cnoeabs.peaks (1.52, 1.83, 29.86 ppm; 4.53 A increased from 3.82 A): 3 out of 6 assignments used, quality = 1.00: HD2 LYS 88 + HB3 GLN 86 OK 100 100 100 100 3.2-4.8 3.0/10038=70...(25) HD3 LYS 88 + HB3 GLN 86 OK 100 100 100 100 4.0-5.0 3.0/10038=70...(25) HB3 LEU 109 + HB3 GLU 110 OK 40 64 95 67 4.0-6.1 4.2/7365=65, 3011/4.7=4 HB3 LEU 83 - HB3 GLN 86 far 6 61 10 - 4.3-5.7 HG LEU 109 - HB3 GLU 110 far 5 94 5 - 4.9-7.3 HB3 LYS 84 - HB3 GLN 86 far 0 100 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 10670 from cnoeabs.peaks (1.19, 1.83, 29.86 ppm; 5.17 A): 1 out of 4 assignments used, quality = 0.99: HG2 LYS 88 + HB3 GLN 86 OK 99 99 100 100 1.8-4.3 1.8/10038=97...(21) HB3 LEU 15 - HB3 GLU 110 far 3 62 5 - 5.7-17.7 HG2 LYS 84 - HB3 GLN 86 far 0 94 0 - 6.8-9.0 HD2 LYS 84 - HB3 GLN 86 far 0 98 0 - 6.9-10.2 Violated in 0 structures by 0.00 A. Peak 10671 from cnoeabs.peaks (1.51, 2.29, 34.08 ppm; 4.62 A): 3 out of 14 assignments used, quality = 0.94: QB ALA 73 + HG2 GLN 72 OK 72 72 100 100 3.5-3.7 9893=97, 2.9/7029=88...(16) HG LEU 12 + HG2 GLN 72 OK 70 70 100 100 4.0-4.1 2.1/8775=89, ~9881=60...(21) HD2 LYS 88 + HG2 GLN 86 OK 30 100 30 100 4.8-7.2 3.0/10040=45, ~10083=40...(25) HD2 LYS 88 - HG2 GLN 89 far 0 58 0 - 5.6-9.6 HD3 LYS 88 - HG2 GLN 86 far 0 100 0 - 5.9-7.2 HD3 LYS 88 - HG2 GLN 89 far 0 58 0 - 6.1-9.1 HB3 LYS 84 - HG2 GLN 89 far 0 58 0 - 6.9-13.0 HG LEU 109 - HG2 GLN 96 far 0 75 0 - 7.2-20.3 HB3 LYS 84 - HG2 GLN 86 far 0 100 0 - 7.6-7.8 HB2 LEU 109 - HG2 GLN 96 far 0 47 0 - 8.1-19.2 HB3 LEU 51 - HG2 GLN 72 far 0 49 0 - 8.6-9.1 HD2 LYS 13 - HG2 GLN 72 far 0 40 0 - 8.8-10.7 HD2 LYS 13 - HG2 GLN 96 far 0 49 0 - 8.9-11.5 HD3 LYS 13 - HG2 GLN 72 far 0 40 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 10672 from cnoeabs.peaks (4.47, 4.28, 53.92 ppm; 5.07 A increased from 4.06 A): 1 out of 3 assignments used, quality = 0.85: HA LYS 88 + HA ASN 87 OK 85 85 100 100 4.7-4.8 3.0/3376=95, ~7549=55...(6) HA GLN 89 - HA ASN 87 far 4 77 5 - 5.6-6.6 HA GLN 19 - HA ASN 87 far 0 88 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 10673 from cnoeabs.peaks (4.46, 1.52, 28.76 ppm; 4.26 A increased from 4.01 A): 2 out of 4 assignments used, quality = 0.91: HA LYS 88 + HD2 LYS 88 OK 69 70 100 100 3.0-4.8 3395/3.0=50, 5.4=49...(37) HA LYS 88 + HD3 LYS 88 OK 69 70 100 100 3.0-4.3 3395/3.0=50, 5.4=49...(37) HA GLN 89 - HD2 LYS 88 far 0 59 0 - 5.9-7.8 HA GLN 89 - HD3 LYS 88 far 0 59 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 10676 from cnoeabs.peaks (6.74, 1.52, 28.76 ppm; 5.19 A): 2 out of 4 assignments used, quality = 0.99: HE21 GLN 86 + HD2 LYS 88 OK 89 90 100 99 2.4-5.3 10046/10085=49, 10044=45...(13) HE21 GLN 86 + HD3 LYS 88 OK 89 90 100 99 4.0-5.0 10044=45, 4.6/10088=43...(12) HE21 GLN 89 - HD3 LYS 88 far 0 100 0 - 5.9-10.0 HE21 GLN 89 - HD2 LYS 88 far 0 100 0 - 7.0-11.1 Violated in 0 structures by 0.00 A. Peak 10678 from cnoeabs.peaks (7.28, 2.88, 41.89 ppm; 4.71 A increased from 4.43 A): 2 out of 11 assignments used, quality = 0.99: HE22 GLN 86 + HE2 LYS 88 OK 98 99 100 99 2.8-4.8 4.6/10083=61...(13) HE22 GLN 86 + HE3 LYS 88 OK 66 99 70 96 2.9-5.5 1.7/10029=39, ~10029=32...(12) QE PHE 79 - HE2 LYS 88 poor 12 85 65 22 3.8-6.0 10587/10084=15...(3) QE PHE 79 - HE3 LYS 88 poor 12 85 65 22 2.9-6.1 10587/10084=15...(3) HZ PHE 79 - HE3 LYS 88 lone 6 73 70 12 2.7-6.9 10587/10084=8, 8898/9053=4 HZ PHE 79 - HE2 LYS 88 lone 3 73 35 12 4.1-6.8 10587/10084=8, 8898/9053=4 QE PHE 10 - HE2 LYS 58 far 2 39 5 - 5.2-6.4 HH2 TRP 60 - HE2 LYS 58 far 0 48 0 - 5.9-7.3 HZ PHE 10 - HE2 LYS 58 far 0 29 0 - 7.1-8.4 HE3 TRP 60 - HE2 LYS 58 far 0 52 0 - 8.1-9.2 QD PHE 99 - HE3 LYS 88 far 0 91 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 10679 from cnoeabs.peaks (7.53, 1.32, 24.94 ppm; 5.13 A increased from 4.83 A): 2 out of 4 assignments used, quality = 0.85: H GLN 86 + HG3 LYS 88 OK 70 71 100 98 4.6-5.0 4.0/10081=76...(7) H LEU 83 + HG3 LYS 88 OK 50 100 50 99 4.6-6.3 10589/10075=86...(9) HD22 ASN 87 - HG3 LYS 88 far 0 90 0 - 7.4-8.9 H ALA 95 - HG3 LYS 88 far 0 99 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 10681 from cnoeabs.peaks (3.46, 0.66, 13.00 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.93: HA ALA 95 + QD1 ILE 90 OK 93 93 100 100 2.7-3.8 8522=93, 2.1/10124=80...(11) HB3 TRP 80 - QD1 ILE 90 far 0 94 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 10682 from cnoeabs.peaks (1.44, 1.99, 40.47 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.46: HG LEU 70 + HB3 LEU 70 OK 46 46 100 100 2.5-2.6 2.9=100 QB ALA 47 - HB3 LEU 70 far 0 46 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 10683 from cnoeabs.peaks (0.84, 2.14, 29.33 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.95: QD1 LEU 51 + HB3 GLU 54 OK 95 98 100 96 3.0-3.2 1483/1449=48...(8) QG2 VAL 25 - HB3 GLU 54 far 0 100 0 - 5.9-6.0 HD2 LYS 98 - HB3 GLU 94 far 0 83 0 - 7.1-9.7 QD1 LEU 12 - HB3 GLU 54 far 0 100 0 - 7.7-8.1 HD2 LYS 98 - HG12 ILE 90 far 0 87 0 - 7.9-10.5 HB2 LYS 84 - HG12 ILE 90 far 0 98 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 10684 from cnoeabs.peaks (0.84, 1.96, 29.33 ppm; 3.44 A): 3 out of 26 assignments used, quality = 1.00: QG2 VAL 102 + HB3 GLU 101 OK 93 99 100 94 2.7-3.1 10206/3.0=45...(11) QD1 LEU 51 + HB2 GLU 54 OK 87 91 100 96 3.3-3.8 10683/1.8=58...(10) QG2 VAL 102 + HB2 GLN 72 OK 59 67 100 89 1.9-2.2 10212/8075=44...(9) QD1 LEU 12 - HB2 GLN 72 far 0 64 0 - 4.3-4.6 QD1 ILE 67 - HB3 GLU 63 far 0 62 0 - 4.6-5.1 QG2 ILE 11 - HB3 GLU 101 far 0 94 0 - 5.4-5.8 QG2 VAL 25 - HB2 GLU 54 far 0 99 0 - 5.8-6.1 QD1 LEU 12 - HB3 GLU 101 far 0 97 0 - 6.0-6.4 QG2 ILE 11 - HB2 GLN 72 far 0 61 0 - 6.2-6.4 QG2 VAL 25 - HB2 GLN 72 far 0 64 0 - 6.4-6.6 HD2 LYS 98 - HB2 GLU 94 far 0 56 0 - 6.8-8.5 QG2 ILE 23 - HB2 GLN 72 far 0 40 0 - 7.1-7.3 QG1 VAL 103 - HB2 GLN 72 far 0 38 0 - 7.1-8.9 QG1 VAL 103 - HB3 GLU 101 far 0 65 0 - 7.2-8.9 QG2 VAL 25 - HB3 GLU 101 far 0 96 0 - 7.3-7.7 QD1 LEU 12 - HB2 GLU 54 far 0 99 0 - 8.1-8.5 HD2 LYS 98 - HG13 ILE 90 far 0 74 0 - 8.2-11.2 QD1 LEU 51 - HB2 GLN 72 far 0 55 0 - 8.4-8.8 HD2 LYS 98 - HB2 GLN 72 far 0 43 0 - 8.7-10.2 QG1 VAL 6 - HB3 GLU 63 far 0 96 0 - 8.8-12.8 QG2 ILE 23 - HB3 GLU 101 far 0 68 0 - 9.0-9.5 HD2 LYS 98 - HB3 GLU 101 far 0 72 0 - 9.2-10.2 QD1 LEU 51 - HB3 GLU 101 far 0 88 0 - 9.7-10.1 QD2 LEU 17 - HG13 ILE 90 far 0 99 0 - 9.8-11.4 QD1 ILE 67 - HB2 GLU 54 far 0 68 0 - 9.9-10.1 HB2 LYS 84 - HG13 ILE 90 far 0 100 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10685 from cnoeabs.peaks (7.30, 0.66, 13.00 ppm; 3.54 A): 1 out of 6 assignments used, quality = 0.82: QE PHE 79 + QD1 ILE 90 OK 82 100 100 82 2.2-2.8 10509=54, 8521/8522=20...(9) QE PHE 104 - QD1 ILE 90 far 0 98 0 - 4.6-6.0 QD PHE 99 - QD1 ILE 90 far 0 100 0 - 5.0-6.6 HE22 GLN 86 - QD1 ILE 90 far 0 82 0 - 5.9-7.6 HE3 TRP 80 - QD1 ILE 90 far 0 100 0 - 8.6-9.8 HZ PHE 10 - QD1 ILE 28 far 0 53 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 10686 from cnoeabs.peaks (7.48, 0.66, 13.00 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.69: HZ2 TRP 16 + QD1 ILE 90 OK 69 100 100 69 2.2-4.4 10987=42, 10934/10124=32 HZ3 TRP 16 - QD1 ILE 90 poor 16 65 25 - 4.5-5.7 Violated in 1 structures by 0.00 A. Peak 10687 from cnoeabs.peaks (7.66, 0.66, 13.00 ppm; 5.05 A): 2 out of 6 assignments used, quality = 1.00: H GLU 94 + QD1 ILE 90 OK 99 99 100 100 3.1-4.2 10108=99, 2609/10115=78...(8) QD PHE 79 + QD1 ILE 90 OK 73 73 100 100 4.0-4.6 2.2/10685=98...(10) HE3 TRP 16 - QD1 ILE 90 poor 17 84 20 - 5.3-6.5 H LYS 84 - QD1 ILE 90 far 0 100 0 - 7.7-8.7 HE22 GLN 96 - QD1 ILE 90 far 0 97 0 - 7.8-10.0 H VAL 69 - QD1 ILE 28 far 0 44 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 10689 from cnoeabs.peaks (2.19, 4.01, 54.67 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLN 96 + HA ALA 93 OK 98 99 100 99 2.5-4.1 3.0/2583=70, 3.0/2582=57...(9) HG2 GLU 63 + HA ALA 64 OK 46 46 100 100 3.5-3.5 1985/3.0=73, 9684/2.1=68...(19) HG3 GLU 63 - HA ALA 64 poor 9 46 20 - 4.7-5.0 HB VAL 102 - HA ALA 93 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10695 from cnoeabs.peaks (7.27, 3.69, 57.82 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: HE22 GLN 86 + HA LEU 83 OK 100 100 100 100 3.0-3.2 10030=100...(15) QE PHE 79 - HA LEU 83 poor 17 69 25 - 5.2-6.0 HZ PHE 79 - HA LEU 83 far 0 88 0 - 5.8-6.6 HE3 TRP 80 - HA LEU 83 far 0 79 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 10696 from cnoeabs.peaks (7.18, 3.70, 57.28 ppm; 4.82 A): 1 out of 4 assignments used, quality = 0.96: QD PHE 104 + HA GLN 96 OK 96 100 100 97 2.2-3.2 2.2/11258=61...(7) HD1 TRP 60 - HA LEU 55 far 0 81 0 - 7.0-7.4 HD1 TRP 16 - HA GLN 96 far 0 85 0 - 9.1-11.6 HE21 GLN 27 - HA LEU 55 far 0 88 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 10699 from cnoeabs.peaks (7.28, 0.47, 23.77 ppm; 5.02 A increased from 4.46 A): 4 out of 10 assignments used, quality = 1.00: QD PHE 99 + HG3 LYS 98 OK 95 95 100 100 2.9-5.5 10148/3.0=76...(20) H PHE 99 + HG3 LYS 98 OK 82 82 100 100 3.2-5.1 4.8=100 QE PHE 79 + HG3 LYS 98 OK 71 90 95 83 4.3-6.0 ~10700=25, 10508/3.0=24...(9) HZ PHE 79 + HG3 LYS 98 OK 38 68 85 66 4.5-6.8 ~10508=18, ~10508=18...(7) QE PHE 104 - HG3 LYS 98 far 0 82 0 - 6.0-7.7 H ASN 20 - QD2 LEU 15 far 0 26 0 - 6.1-6.7 QE PHE 104 - QD2 LEU 15 far 0 26 0 - 6.8-7.5 HE22 GLN 86 - HG3 LYS 98 far 0 98 0 - 9.0-10.9 HE3 TRP 80 - QD2 LEU 15 far 0 33 0 - 9.6-10.0 QE PHE 79 - QD2 LEU 15 far 0 30 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 10700 from cnoeabs.peaks (7.69, 1.11, 27.70 ppm; 5.83 A increased from 5.19 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 79 + HD3 LYS 98 OK 100 100 100 100 4.2-5.7 10846/10148=82...(19) H VAL 69 + HG3 ARG 66 OK 53 55 100 96 6.0-6.3 6921/3.8=85...(5) HE3 TRP 16 - HD3 LYS 98 far 0 100 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 10701 from cnoeabs.peaks (7.68, 2.44, 41.65 ppm; 4.76 A): 2 out of 6 assignments used, quality = 0.98: QD PHE 79 + HE3 LYS 98 OK 89 100 100 89 3.2-5.0 10700/3.0=31...(14) QD PHE 79 + HE2 LYS 98 OK 82 100 95 86 3.2-5.9 10700/3.0=31...(12) H VAL 69 - HB2 ASP 65 far 0 70 0 - 5.7-6.2 H GLU 94 - HE2 LYS 98 far 0 65 0 - 7.8-12.0 H GLU 94 - HE3 LYS 98 far 0 65 0 - 8.1-12.2 HE3 TRP 16 - HE3 LYS 98 far 0 100 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 10704 from cnoeabs.peaks (3.49, 6.93, 128.33 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.84: HA VAL 76 + HZ PHE 99 OK 84 84 100 100 2.7-3.3 3.2/10984=86...(16) HA ALA 95 - HZ PHE 99 far 0 92 0 - 6.3-7.1 HB3 TRP 80 - HZ PHE 99 far 0 91 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 10705 from cnoeabs.peaks (0.91, 6.93, 128.33 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.73: QG1 VAL 76 + HZ PHE 99 OK 73 73 100 100 4.7-5.0 2.1/10984=100...(15) QG1 VAL 14 - HZ PHE 99 far 0 59 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 10707 from cnoeabs.peaks (3.10, 3.63, 49.86 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.88: HB3 PHE 99 + HD3 PRO 100 OK 88 98 90 100 3.6-5.0 3.0/2778=85, 4.8=74...(16) HB3 ASN 71 - HD3 PRO 100 far 0 100 0 - 9.4-12.4 Violated in 3 structures by 0.09 A. Peak 10708 from cnoeabs.peaks (6.94, 2.28, 36.59 ppm; 5.19 A increased from 4.88 A): 2 out of 4 assignments used, quality = 0.68: HE21 GLN 72 + HG3 GLU 101 OK 43 98 100 44 4.8-5.1 ~8335=19, ~10972=18, 9483/3.0=14 HE21 GLN 72 + HG2 GLU 101 OK 43 98 100 44 4.6-5.1 ~8335=19, ~10972=18, 9483/3.0=14 HZ PHE 99 - HG3 GLU 101 far 0 98 0 - 8.1-8.7 HZ PHE 99 - HG2 GLU 101 far 0 98 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10709 from cnoeabs.peaks (5.25, 4.25, 61.29 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: HA THR 33 + HA ILE 28 OK 100 100 100 100 1.9-2.0 8223=100, 941/8221=61...(15) HA PHE 104 - HA VAL 102 far 0 81 0 - 7.0-7.1 Violated in 0 structures by 0.00 A. Peak 10710 from cnoeabs.peaks (0.94, 0.23, 22.37 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 76 + QG1 VAL 102 OK 100 100 100 100 2.8-3.1 2.1/8505=98, ~10211=54...(16) QG1 VAL 14 + QG1 VAL 102 OK 100 100 100 100 3.1-3.3 2.1/8095=90, 10853=70...(15) HB2 LEU 15 - QG1 VAL 102 far 0 96 0 - 7.0-7.3 QG1 VAL 25 - QG1 VAL 102 far 0 71 0 - 7.1-7.5 QG2 THR 74 - QG1 VAL 102 far 0 92 0 - 7.7-7.9 HG13 ILE 28 - QG1 VAL 102 far 0 98 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10711 from cnoeabs.peaks (3.80, 0.84, 22.84 ppm; 4.13 A): 1 out of 11 assignments used, quality = 0.95: HA ALA 73 + QG2 VAL 102 OK 95 96 100 98 3.5-3.9 8078/10212=71...(12) HB3 TRP 16 - QD2 LEU 17 far 0 74 0 - 6.1-7.0 HB2 PHE 79 - QG2 VAL 102 far 0 100 0 - 6.7-7.2 HA LYS 98 - QG2 VAL 102 far 0 96 0 - 7.0-7.5 HB2 SER 105 - QD2 LEU 17 far 0 77 0 - 7.0-9.6 HB3 SER 105 - QD2 LEU 17 far 0 76 0 - 7.4-8.2 HA3 GLY 97 - QG2 VAL 102 far 0 81 0 - 8.4-9.4 HB3 TRP 16 - QG2 VAL 102 far 0 94 0 - 8.8-9.3 HA TRP 80 - QG2 VAL 102 far 0 85 0 - 8.9-9.2 HA TRP 80 - QD2 LEU 17 far 0 66 0 - 9.7-10.4 HA ARG 44 - QD2 LEU 17 far 0 63 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10712 from cnoeabs.peaks (3.03, 0.84, 22.84 ppm; 3.89 A): 1 out of 4 assignments used, quality = 0.97: HB2 PHE 99 + QG2 VAL 102 OK 97 97 100 100 2.1-3.4 1.8/10216=85...(16) HB3 PHE 41 - QD2 LEU 17 far 0 83 0 - 7.1-8.3 HB2 ASN 68 - QG2 VAL 102 far 0 75 0 - 8.4-8.6 HB3 ASN 68 - QG2 VAL 102 far 0 75 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 10713 from cnoeabs.peaks (1.48, 1.87, 32.73 ppm; 4.38 A increased from 4.12 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 13 + HB VAL 103 OK 100 100 100 100 2.0-4.4 8798=48, ~8801=44...(22) HD3 LYS 13 + HB VAL 103 OK 90 100 90 100 3.5-5.2 ~8801=44, 8798=43...(22) HB2 LEU 109 - HB VAL 103 far 0 100 0 - 6.2-17.9 Violated in 0 structures by 0.00 A. Peak 10714 from cnoeabs.peaks (1.60, 1.87, 32.73 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 13 + HB VAL 103 OK 100 100 100 100 3.1-4.8 3.0/10228=72...(16) HB ILE 11 + HB VAL 103 OK 40 68 85 70 4.4-6.4 2.1/8055=29...(7) Violated in 0 structures by 0.00 A. Peak 10715 from cnoeabs.peaks (1.13, 0.87, 20.65 ppm; 3.64 A increased from 3.24 A): 4 out of 16 assignments used, quality = 0.99: HG2 LYS 13 + QG1 VAL 103 OK 90 91 100 100 2.0-4.1 3.9/8801=41, 8538=38...(27) QG2 THR 5 + QG1 VAL 6 OK 61 79 85 91 2.7-5.1 34/8660=54, 2.1/8659=39...(6) HG2 LYS 13 + QG2 VAL 103 OK 51 52 100 99 2.1-4.0 8539/2.1=30, 8538=28...(27) HG3 LYS 13 + QG1 VAL 103 OK 36 91 40 99 2.3-4.6 3.9/8801=41...(27) HG3 LYS 13 - QG2 VAL 103 poor 18 52 35 - 2.8-5.4 HB VAL 14 - QG1 VAL 103 far 10 100 10 - 3.9-5.7 QG2 THR 5 - QG2 VAL 6 far 0 69 0 - 4.8-6.1 HB VAL 14 - QG2 VAL 103 far 0 63 0 - 5.1-6.2 QD1 LEU 36 - QG2 VAL 6 far 0 57 0 - 6.5-7.8 QD1 LEU 36 - QG1 VAL 6 far 0 66 0 - 7.3-8.2 HG3 ARG 66 - QG1 VAL 6 far 0 80 0 - 8.0-13.5 HG3 ARG 66 - QG2 VAL 6 far 0 70 0 - 8.7-14.2 QD1 LEU 36 - QG2 VAL 103 far 0 51 0 - 9.4-10.6 QD1 LEU 36 - QG1 VAL 103 far 0 90 0 - 9.5-10.7 HB2 LEU 51 - QG1 VAL 103 far 0 87 0 - 9.8-12.3 HB2 LEU 51 - QG2 VAL 103 far 0 49 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 10716 from cnoeabs.peaks (1.29, 0.87, 20.65 ppm; 4.54 A increased from 4.03 A): 2 out of 16 assignments used, quality = 0.95: HB2 LYS 13 + QG1 VAL 103 OK 93 93 100 100 3.1-4.4 8794=68, 4.6/10234=52...(23) HB2 LYS 13 + QG2 VAL 103 OK 27 54 50 100 4.1-6.1 8794/2.1=52, ~10228=44...(23) HG12 ILE 28 - QG2 VAL 103 far 0 54 0 - 6.4-7.2 HB ILE 61 - QG1 VAL 6 far 0 73 0 - 6.5-10.0 HB ILE 61 - QG2 VAL 6 far 0 63 0 - 7.1-11.0 HG12 ILE 28 - QG1 VAL 103 far 0 93 0 - 7.6-9.3 HG12 ILE 28 - QG2 VAL 6 far 0 60 0 - 8.3-8.9 HG12 ILE 28 - QG1 VAL 6 far 0 70 0 - 8.7-11.5 QB ALA 93 - QG1 VAL 103 far 0 88 0 - 8.7-10.0 HG2 ARG 66 - QG1 VAL 6 far 0 80 0 - 8.8-14.4 QB ALA 93 - QG2 VAL 103 far 0 50 0 - 9.4-10.5 HB3 LYS 98 - QG2 VAL 103 far 0 52 0 - 9.5-10.3 HG2 LYS 58 - QG2 VAL 6 far 0 68 0 - 9.5-12.2 HG2 LYS 58 - QG1 VAL 6 far 0 78 0 - 9.8-11.5 HG2 ARG 66 - QG2 VAL 6 far 0 70 0 - 9.8-14.9 HB3 LYS 98 - QG1 VAL 103 far 0 91 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10717 from cnoeabs.peaks (1.47, 0.87, 20.65 ppm; 3.51 A): 4 out of 12 assignments used, quality = 1.00: HD2 LYS 13 + QG1 VAL 103 OK 99 100 100 99 1.9-3.6 3.0/8801=49, 3.0/8806=36...(22) HD3 LYS 13 + QG1 VAL 103 OK 74 100 75 99 2.3-4.4 3.0/8801=49, 3.0/8806=36...(21) HD2 LYS 13 + QG2 VAL 103 OK 46 63 75 98 2.5-4.3 ~8801=27, ~10832=26...(25) HD3 LYS 13 + QG2 VAL 103 OK 46 63 75 98 3.0-5.3 ~8801=27, ~10832=26...(25) HB2 LEU 109 - QG1 VAL 103 far 5 100 5 - 3.5-13.3 HB2 LEU 109 - QG2 VAL 103 far 0 63 0 - 5.9-15.7 HG3 LYS 58 - QG2 VAL 6 far 0 69 0 - 8.5-10.8 HB2 LEU 36 - QG2 VAL 103 far 0 58 0 - 8.8-10.2 HB2 LEU 36 - QG1 VAL 103 far 0 97 0 - 8.9-10.2 HG3 LYS 58 - QG1 VAL 6 far 0 79 0 - 8.9-10.3 HB2 LEU 36 - QG2 VAL 6 far 0 65 0 - 8.9-9.9 HB2 LEU 36 - QG1 VAL 6 far 0 74 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10718 from cnoeabs.peaks (1.60, 0.87, 20.65 ppm; 4.36 A): 2 out of 19 assignments used, quality = 1.00: HB3 LYS 13 + QG1 VAL 103 OK 100 100 100 100 1.9-4.8 1.8/10716=57...(23) HB3 LYS 13 + QG2 VAL 103 OK 35 63 55 100 3.4-5.3 10714/2.1=47, ~10228=40...(22) HB ILE 11 - QG2 VAL 103 poor 20 44 100 44 2.7-4.2 10714/2.1=19, ~8055=18...(6) HB ILE 11 - QG1 VAL 103 poor 16 81 45 43 3.6-5.3 10714/2.1=19, ~8055=18...(5) QB ALA 62 - QG2 VAL 6 far 3 51 5 - 4.9-7.8 QB ALA 62 - QG1 VAL 6 lone 1 59 50 2 3.7-6.9 9647/10877=1 HB ILE 28 - QG2 VAL 6 far 0 62 0 - 6.4-7.2 HB ILE 28 - QG1 VAL 6 far 0 72 0 - 7.3-9.8 HD3 LYS 31 - QG2 VAL 6 far 0 58 0 - 7.4-13.0 HD2 LYS 58 - QG2 VAL 6 far 0 61 0 - 7.5-10.3 HD2 LYS 31 - QG2 VAL 6 far 0 58 0 - 7.8-12.6 HD2 LYS 58 - QG1 VAL 6 far 0 71 0 - 8.1-9.9 HB ILE 28 - QG2 VAL 103 far 0 56 0 - 8.2-8.9 HB ILE 28 - QG1 VAL 103 far 0 95 0 - 9.2-10.9 HG13 ILE 77 - QG1 VAL 103 far 0 77 0 - 9.3-11.2 HG LEU 36 - QG2 VAL 6 far 0 37 0 - 9.3-11.1 HD3 LYS 31 - QG1 VAL 6 far 0 67 0 - 9.8-15.4 HG13 ILE 77 - QG2 VAL 103 far 0 42 0 - 9.8-11.3 HG LEU 36 - QG1 VAL 6 far 0 44 0 - 9.9-11.4 Violated in 6 structures by 0.01 A. Peak 10719 from cnoeabs.peaks (1.11, 0.90, 21.00 ppm; 3.62 A increased from 3.04 A): 3 out of 12 assignments used, quality = 0.83: HG2 LYS 13 + QG2 VAL 103 OK 66 68 100 98 2.1-4.0 3.9/10230=23...(26) HG2 LYS 13 + QG1 VAL 103 OK 35 36 100 98 2.0-4.1 3.9/8801=31, 8539/2.1=22...(27) HG3 LYS 13 + QG2 VAL 103 OK 23 68 35 98 2.8-5.4 3.9/10230=23, ~8586=22...(25) HG3 LYS 13 - QG1 VAL 103 poor 14 36 40 - 2.3-4.6 HB VAL 14 - QG1 VAL 103 far 6 61 10 - 3.9-5.7 HB VAL 14 - QG2 VAL 103 far 0 99 0 - 5.1-6.2 QD1 LEU 36 - QG2 VAL 103 far 0 65 0 - 9.4-10.6 QG2 THR 8 - QG2 VAL 103 far 0 77 0 - 9.4-10.2 QD1 LEU 36 - QG1 VAL 103 far 0 34 0 - 9.5-10.7 HB2 LEU 51 - QG1 VAL 103 far 0 61 0 - 9.8-12.3 HB2 LEU 51 - QG2 VAL 103 far 0 99 0 - 9.9-11.8 QG2 THR 8 - QG1 VAL 103 far 0 42 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 10720 from cnoeabs.peaks (1.42, 0.90, 21.00 ppm; 3.88 A): 0 out of 7 assignments used, quality = 0.00: HG13 ILE 11 - QG2 VAL 103 poor 20 100 20 - 4.0-5.3 HG13 ILE 11 - QG1 VAL 103 far 0 64 0 - 5.6-7.3 HB2 LEU 36 - QG2 VAL 103 far 0 61 0 - 8.8-10.2 HB2 LEU 36 - QG1 VAL 103 far 0 32 0 - 8.9-10.2 QB ALA 47 - QG1 VAL 103 far 0 62 0 - 9.1-10.7 HG LEU 17 - QG1 VAL 103 far 0 33 0 - 9.6-11.4 QB ALA 47 - QG2 VAL 103 far 0 100 0 - 9.7-11.2 Violated in 20 structures by 0.65 A. Peak 10721 from cnoeabs.peaks (1.48, 0.90, 21.00 ppm; 3.78 A): 4 out of 8 assignments used, quality = 1.00: HD2 LYS 13 + QG2 VAL 103 OK 99 100 100 99 2.5-4.3 3.0/10719=32, ~8801=32...(25) HD3 LYS 13 + QG2 VAL 103 OK 74 100 75 99 3.0-5.3 3.0/10719=32, ~8801=32...(26) HD2 LYS 13 + QG1 VAL 103 OK 63 64 100 98 1.9-3.6 3.0/8801=42...(22) HD3 LYS 13 + QG1 VAL 103 OK 62 64 100 98 2.3-4.4 3.0/8801=42...(21) HB2 LEU 109 - QG1 VAL 103 far 3 64 5 - 3.5-13.3 HB2 LEU 109 - QG2 VAL 103 far 0 100 0 - 5.9-15.7 HB2 LEU 36 - QG2 VAL 103 far 0 94 0 - 8.8-10.2 HB2 LEU 36 - QG1 VAL 103 far 0 55 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 10722 from cnoeabs.peaks (1.61, 0.90, 21.00 ppm; 3.99 A): 3 out of 8 assignments used, quality = 0.70: HB3 LYS 13 + QG1 VAL 103 OK 40 62 65 99 1.9-4.8 10714/2.1=38...(23) HB ILE 11 + QG2 VAL 103 OK 33 87 100 38 2.7-4.2 10714/2.1=15, ~8055=15...(6) HB3 LYS 13 + QG2 VAL 103 OK 25 100 25 99 3.4-5.3 10714/2.1=38...(21) HB ILE 11 - QG1 VAL 103 far 2 49 5 - 3.6-5.3 HB ILE 28 - QG2 VAL 103 far 0 98 0 - 8.2-8.9 HB ILE 28 - QG1 VAL 103 far 0 59 0 - 9.2-10.9 HG13 ILE 77 - QG1 VAL 103 far 0 37 0 - 9.3-11.2 HG13 ILE 77 - QG2 VAL 103 far 0 70 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10725 from cnoeabs.peaks (2.94, 4.39, 61.97 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.98: HB2 PHE 104 + HA VAL 103 OK 98 99 100 99 4.5-4.6 4.1/8530=69...(12) HB3 PHE 104 - HA VAL 103 far 0 100 0 - 5.6-5.6 Violated in 1 structures by 0.00 A. Peak 10728 from cnoeabs.peaks (7.91, 4.39, 61.97 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.79: HE21 GLN 96 + HA VAL 103 OK 79 99 100 80 2.6-4.5 1.7/11264=72, ~10222=28 Violated in 0 structures by 0.00 A. Peak 10729 from cnoeabs.peaks (7.17, 4.39, 61.97 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 104 + HA VAL 103 OK 98 100 100 98 2.8-3.5 2.5/10725=76...(8) Violated in 0 structures by 0.00 A. Peak 10730 from cnoeabs.peaks (5.24, 3.81, 64.55 ppm; 4.79 A increased from 4.26 A): 2 out of 2 assignments used, quality = 0.98: HA PHE 104 + HB3 SER 105 OK 94 100 100 95 4.2-4.7 2921/3.9=73...(8) HA PHE 104 + HB2 SER 105 OK 71 100 75 95 4.3-5.7 2921/3.9=73...(9) Violated in 0 structures by 0.00 A. Peak 10731 from cnoeabs.peaks (5.24, 4.67, 57.38 ppm; 4.66 A increased from 4.39 A): 1 out of 1 assignment used, quality = 0.96: HA PHE 104 + HA SER 105 OK 96 99 100 97 4.3-4.5 2921/3.0=84...(8) Violated in 0 structures by 0.00 A. Peak 10734 from cnoeabs.peaks (0.84, 2.78, 38.41 ppm; 4.48 A): 1 out of 6 assignments used, quality = 0.97: QD1 LEU 109 + HB2 ASN 108 OK 97 100 100 97 1.9-4.7 10736/2976=74...(4) HG LEU 15 - HB2 ASN 108 far 5 100 5 - 3.6-14.5 QD2 LEU 17 - HB2 ASN 108 far 0 100 0 - 5.2-16.7 QG1 VAL 103 - HB2 ASN 108 far 0 84 0 - 6.3-13.7 QD1 LEU 17 - HB2 ASN 108 far 0 99 0 - 7.5-17.6 QG2 ILE 11 - HB2 ASN 108 far 0 100 0 - 9.3-19.5 Violated in 4 structures by 0.01 A. Peak 10735 from cnoeabs.peaks (0.84, 2.83, 38.41 ppm; 4.38 A): 1 out of 7 assignments used, quality = 0.97: QD1 LEU 109 + HB3 ASN 108 OK 97 100 100 97 2.0-4.4 10736/3.0=71...(5) HG LEU 15 - HB3 ASN 108 far 5 100 5 - 3.1-14.8 QD2 LEU 17 - HB3 ASN 108 far 0 100 0 - 5.6-17.4 QG1 VAL 103 - HB3 ASN 108 far 0 70 0 - 5.6-13.4 QD1 LEU 17 - HB3 ASN 108 far 0 100 0 - 7.2-18.3 QG2 ILE 11 - HB3 ASN 108 far 0 97 0 - 9.7-18.9 QG2 ILE 23 - HB3 ASN 108 far 0 70 0 - 9.8-18.2 Violated in 1 structures by 0.00 A. Peak 10736 from cnoeabs.peaks (0.84, 4.69, 53.02 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.89: QD1 LEU 109 + HA ASN 108 OK 89 100 100 89 2.3-3.9 10735/3.0=49...(4) QD2 LEU 17 - HA ASN 108 far 5 100 5 - 4.3-16.0 HG LEU 15 - HA ASN 108 far 0 100 0 - 5.6-13.7 QD1 LEU 17 - HA ASN 108 far 0 100 0 - 6.8-16.9 QG1 VAL 103 - HA ASN 108 far 0 77 0 - 7.5-12.4 Violated in 2 structures by 0.00 A. Peak 10737 from cnoeabs.peaks (0.84, 3.87, 63.52 ppm; 4.06 A): 0 out of 12 assignments used, quality = 0.00: QD1 LEU 109 - HB3 SER 107 far 3 59 5 - 3.6-8.8 HG LEU 15 - HB3 SER 107 far 3 59 5 - 4.2-13.9 HG LEU 15 - HB2 SER 107 far 0 50 0 - 4.7-14.0 QD1 LEU 109 - HB2 SER 107 far 0 50 0 - 4.8-8.1 QD2 LEU 17 - HB3 SER 107 far 0 58 0 - 5.1-16.0 QG1 VAL 6 - HB3 SER 4 far 0 100 0 - 5.2-8.1 QD2 LEU 17 - HB2 SER 107 far 0 50 0 - 6.5-15.9 QD1 LEU 17 - HB3 SER 107 far 0 59 0 - 6.7-17.2 QG2 VAL 6 - HB3 SER 4 far 0 100 0 - 7.1-9.1 QG1 VAL 103 - HB3 SER 107 far 0 34 0 - 7.6-11.9 QG1 VAL 103 - HB2 SER 107 far 0 29 0 - 8.0-11.8 QD1 LEU 17 - HB2 SER 107 far 0 51 0 - 8.0-17.3 Violated in 18 structures by 0.98 A. Peak 10738 from cnoeabs.peaks (0.83, 4.49, 57.97 ppm; 3.73 A): 0 out of 20 assignments used, quality = 0.00: QD1 LEU 109 - HA SER 107 far 5 98 5 - 3.1-7.5 QG1 VAL 6 - HA SER 4 far 0 99 0 - 4.8-7.1 QG1 VAL 6 - HA SER 9 far 0 87 0 - 5.0-8.4 QG2 VAL 6 - HA SER 9 far 0 89 0 - 5.3-6.4 QD2 LEU 17 - HA SER 107 far 0 97 0 - 5.7-14.2 QG2 ILE 23 - HA TYR 39 far 0 27 0 - 5.7-5.9 HG LEU 15 - HA SER 107 far 0 98 0 - 5.9-12.1 QD1 LEU 51 - HA TYR 39 far 0 32 0 - 6.5-6.9 QD1 LEU 12 - HA TYR 39 far 0 39 0 - 6.6-6.9 HG LEU 15 - HA TYR 39 far 0 41 0 - 7.0-7.9 QG2 VAL 25 - HA TYR 39 far 0 38 0 - 7.0-7.2 QG2 ILE 11 - HA SER 9 far 0 80 0 - 7.3-7.4 QG2 VAL 6 - HA SER 4 far 0 100 0 - 7.4-8.2 QG1 VAL 103 - HA TYR 39 far 0 20 0 - 7.4-9.0 QD1 LEU 17 - HA TYR 39 far 0 42 0 - 7.4-7.8 QD1 LEU 17 - HA SER 107 far 0 99 0 - 7.7-15.6 QD1 LEU 109 - HA TYR 39 far 0 41 0 - 8.0-15.4 QG1 VAL 103 - HA SER 107 far 0 59 0 - 8.0-10.7 QG2 VAL 25 - HA SER 9 far 0 84 0 - 8.7-8.9 QD2 LEU 17 - HA TYR 39 far 0 40 0 - 8.8-9.6 Violated in 19 structures by 0.42 A. Peak 10739 from cnoeabs.peaks (7.64, 0.75, 23.00 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.93: HD21 ASN 108 + QD2 LEU 109 OK 93 100 100 93 2.1-4.4 10740/2.1=72, ~10741=44...(4) HE22 GLN 96 - QD2 LEU 109 far 0 100 0 - 7.0-16.6 HD21 ASN 20 - QD2 LEU 109 far 0 100 0 - 7.1-23.6 HE21 GLN 19 - QD2 LEU 109 far 0 100 0 - 8.6-24.9 Violated in 3 structures by 0.01 A. Peak 10740 from cnoeabs.peaks (7.64, 0.84, 24.66 ppm; 4.26 A): 1 out of 5 assignments used, quality = 0.99: HD21 ASN 108 + QD1 LEU 109 OK 99 100 100 99 1.9-4.2 10739/2.1=73...(5) HE22 GLN 96 - QD1 LEU 109 far 0 100 0 - 5.9-16.5 HE21 GLN 19 - QD1 LEU 109 far 0 99 0 - 6.8-23.8 HD21 ASN 20 - QD1 LEU 109 far 0 100 0 - 7.0-22.7 HE3 TRP 16 - QD1 LEU 109 far 0 59 0 - 8.4-16.9 Violated in 0 structures by 0.00 A. Peak 10741 from cnoeabs.peaks (6.97, 0.84, 24.66 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.96: HD22 ASN 108 + QD1 LEU 109 OK 96 96 100 100 2.2-4.9 1.7/10740=92...(6) QE PHE 41 - QD1 LEU 109 far 5 100 5 - 5.2-16.5 HE22 GLN 19 - QD1 LEU 109 far 0 70 0 - 6.1-24.8 Violated in 4 structures by 0.01 A. Peak 10752 from cnoeabs.peaks (6.90, 4.11, 53.53 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.85: H TRP 60 + HA LYS 58 OK 85 85 100 99 3.6-3.8 8413/3.0=77...(7) Violated in 0 structures by 0.00 A. Peak 10753 from cnoeabs.peaks (6.87, 1.55, 29.76 ppm; 5.87 A): 2 out of 8 assignments used, quality = 1.00: H TRP 60 + HB3 LYS 58 OK 99 99 100 100 3.3-3.5 8413/1.8=99...(6) H ASP 65 + HB2 ARG 66 OK 61 62 100 99 6.2-6.4 6854/3.9=96, 6849/4.7=77 HH2 TRP 80 - HB3 LYS 84 poor 10 49 20 - 6.0-6.9 HZ PHE 104 - HG13 ILE 77 far 0 59 0 - 9.0-9.3 H TRP 60 - HB2 ARG 66 far 0 63 0 - 9.4-10.5 HH2 TRP 80 - HG13 ILE 77 far 0 63 0 - 9.5-10.0 QD PHE 41 - HG13 ILE 77 far 0 42 0 - 9.9-10.4 H ASP 65 - HB3 LYS 58 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10754 from cnoeabs.peaks (10.43, 4.11, 53.53 ppm; 5.83 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 60 + HA LYS 58 OK 100 100 100 100 4.2-4.6 9585=99, 9600/3.0=94...(16) Violated in 0 structures by 0.00 A. Peak 10755 from cnoeabs.peaks (10.44, 0.35, 29.76 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 60 + HB2 LYS 58 OK 100 100 100 100 2.3-2.5 9595/3.0=97, 9600=96...(18) Violated in 0 structures by 0.00 A. Peak 10756 from cnoeabs.peaks (10.44, 1.55, 29.76 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 60 + HB3 LYS 58 OK 100 100 100 100 3.1-3.7 9600/1.8=100...(19) Violated in 0 structures by 0.00 A. Peak 10757 from cnoeabs.peaks (10.45, 1.62, 28.83 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.95: HE1 TRP 60 + HD2 LYS 58 OK 95 95 100 100 2.5-4.0 9594=89, 9596/1.8=83...(24) Violated in 0 structures by 0.00 A. Peak 10758 from cnoeabs.peaks (10.44, 1.36, 28.83 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 60 + HD3 LYS 58 OK 100 100 100 100 2.5-4.4 9596=100, 9594/1.8=100...(22) Violated in 0 structures by 0.00 A. Peak 10759 from cnoeabs.peaks (10.44, 2.86, 42.32 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 60 + HE2 LYS 58 OK 100 100 100 100 3.7-4.6 9592=99, 9594/3.0=93...(21) Violated in 0 structures by 0.00 A. Peak 10760 from cnoeabs.peaks (0.05, 4.11, 53.53 ppm; 5.42 A increased from 5.10 A): 1 out of 2 assignments used, quality = 0.98: HG12 ILE 61 + HA LYS 58 OK 98 98 100 100 4.2-5.3 10761/3.0=78, ~8377=70...(21) HG13 ILE 61 - HA LYS 58 poor 19 95 20 - 4.9-6.8 Violated in 0 structures by 0.00 A. Peak 10762 from cnoeabs.peaks (0.03, 1.62, 28.83 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: HG13 ILE 61 + HD2 LYS 58 OK 100 100 100 100 3.1-3.9 2.1/9396=85, ~10768=62...(21) HG12 ILE 61 + HD2 LYS 58 OK 99 99 100 100 2.5-3.8 2.1/9396=85, ~10768=62...(21) HG13 ILE 61 - HG13 ILE 67 far 0 84 0 - 9.1-10.3 HG12 ILE 61 - HG13 ILE 67 far 0 82 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10763 from cnoeabs.peaks (0.04, 1.36, 28.83 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: HG12 ILE 61 + HD3 LYS 58 OK 100 100 100 100 2.4-3.9 2.1/8375=82, ~9396=61...(22) HG13 ILE 61 + HD3 LYS 58 OK 99 99 100 100 2.8-4.2 2.1/8375=82, ~9396=61...(20) Violated in 0 structures by 0.00 A. Peak 10764 from cnoeabs.peaks (0.03, 1.28, 23.86 ppm; 5.73 A): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 61 + HG2 LYS 58 OK 99 99 100 100 4.5-6.1 2.1/9549=99, ~9622=84...(28) HG12 ILE 61 + HG2 LYS 58 OK 98 98 100 100 4.1-4.7 2.1/9549=99...(30) Violated in 0 structures by 0.00 A. Peak 10765 from cnoeabs.peaks (0.02, 1.55, 29.76 ppm; 5.09 A): 4 out of 4 assignments used, quality = 1.00: HG13 ILE 61 + HB3 LYS 58 OK 98 98 100 100 2.3-3.8 2.1/9548=93, ~9547=70...(25) HG12 ILE 61 + HB3 LYS 58 OK 96 96 100 100 1.8-2.3 2.1/9548=93...(25) HG13 ILE 61 + HB2 ARG 66 OK 51 60 85 100 4.8-5.9 ~9713=45, ~8369=45...(18) HG12 ILE 61 + HB2 ARG 66 OK 46 57 80 100 5.1-7.4 ~9713=45, ~8369=45...(18) Violated in 0 structures by 0.00 A. Peak 10766 from cnoeabs.peaks (1.57, 0.03, 25.69 ppm; 5.69 A): 9 out of 12 assignments used, quality = 1.00: HG LEU 36 + HG13 ILE 61 OK 100 100 100 100 5.1-5.7 ~8249=92, ~8251=92...(10) HB3 LYS 58 + HG13 ILE 61 OK 95 95 100 100 2.3-3.8 8377/2.1=100, ~9547=81...(27) HB3 LYS 58 + HG12 ILE 61 OK 94 94 100 100 1.8-2.3 8377/2.1=100...(27) HB2 ARG 66 + HG13 ILE 61 OK 93 93 100 100 4.8-5.9 ~9713=57, ~8369=57...(18) QB ALA 62 + HG13 ILE 61 OK 85 100 85 100 5.4-6.4 8393/3.2=94, 8389/3.8=86...(13) HG LEU 36 + HG12 ILE 61 OK 80 100 80 100 4.9-6.9 ~8249=92, ~8251=92...(9) HB2 ARG 66 + HG12 ILE 61 OK 74 93 80 100 5.1-7.4 ~9713=57, ~8369=57...(18) HB2 LEU 55 + HG13 ILE 61 OK 69 70 100 100 3.7-4.8 ~8351=70, ~8380=70...(21) HB2 LEU 55 + HG12 ILE 61 OK 69 69 100 100 3.8-5.9 ~8351=70, ~8380=70...(22) QB ALA 62 - HG12 ILE 61 far 15 100 15 - 6.2-6.6 HG13 ILE 67 - HG13 ILE 61 far 0 81 0 - 9.1-10.3 HG13 ILE 67 - HG12 ILE 61 far 0 80 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10767 from cnoeabs.peaks (1.33, 0.03, 25.69 ppm; 5.69 A): 2 out of 4 assignments used, quality = 0.94: HD3 LYS 58 + HG13 ILE 61 OK 75 75 100 100 2.8-4.2 10768/2.1=100, ~9396=87...(20) HD3 LYS 58 + HG12 ILE 61 OK 75 75 100 100 2.4-3.9 10768/2.1=100, ~9396=87...(23) HG2 ARG 66 - HG13 ILE 61 far 3 59 5 - 6.1-7.4 HG2 ARG 66 - HG12 ILE 61 far 0 59 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 10768 from cnoeabs.peaks (1.33, 0.10, 14.62 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.67: HD3 LYS 58 + QD1 ILE 61 OK 67 68 100 100 1.9-3.1 1.8/9396=67, 9551=60...(23) HG2 ARG 66 - QD1 ILE 61 far 0 68 0 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 10770 from cnoeabs.peaks (5.37, 0.80, 17.01 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.96: HA VAL 14 + QG2 ILE 23 OK 96 100 100 96 3.3-3.7 10317/6294=42...(13) HG1 THR 37 - QG2 ILE 23 far 0 100 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 10771 from cnoeabs.peaks (4.26, 1.77, 41.91 ppm; 5.74 A): 1 out of 5 assignments used, quality = 0.99: HA ALA 24 + HB ILE 23 OK 99 99 100 100 4.3-4.3 3.0/6293=98, 8956/3.0=82...(16) HA ALA 47 - HB ILE 23 far 0 68 0 - 6.4-6.6 HA VAL 102 - HB ILE 23 far 0 91 0 - 7.5-7.8 HB THR 74 - HB ILE 23 far 0 65 0 - 8.8-9.3 HA SER 38 - HB ILE 23 far 0 88 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 10772 from cnoeabs.peaks (4.25, 5.51, 58.30 ppm; 6.00 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 24 + HA ILE 23 OK 100 100 100 100 4.5-4.6 3.0/6292=100, 8956=99...(15) HA ALA 47 - HA ILE 23 far 0 90 0 - 7.1-7.4 HA VAL 102 - HA ILE 23 far 0 99 0 - 7.8-8.4 HA SER 38 - HA ILE 23 far 0 99 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 10773 from cnoeabs.peaks (6.61, 5.51, 58.30 ppm; 5.87 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 39 + HA ILE 23 OK 99 100 100 100 3.1-4.2 8134/4.9=80...(8) Violated in 0 structures by 0.00 A. Peak 10779 from cnoeabs.peaks (0.30, 6.83, 127.11 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 21 + HD1 TRP 42 OK 99 99 100 100 1.8-2.0 10860/2.6=95...(9) QG2 VAL 76 - HD1 TRP 42 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10780 from cnoeabs.peaks (1.45, 5.62, 53.20 ppm; 5.94 A): 3 out of 4 assignments used, quality = 1.00: QB ALA 45 + HA TRP 42 OK 93 93 100 100 4.1-4.5 2.9/8294=98, ~9267=62...(13) QB ALA 47 + HA TRP 42 OK 89 90 100 100 3.7-4.2 2.9/9290=78, 9282/4.7=68...(8) HG2 PRO 43 + HA TRP 42 OK 72 75 100 96 4.8-5.6 4.8/9255=76...(5) HB ILE 77 - HA TRP 42 far 0 98 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 10781 from cnoeabs.peaks (-0.32, 3.17, 31.06 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 77 + HB3 TRP 42 OK 99 99 100 100 4.2-5.0 9972/8117=84...(11) QG2 ILE 77 + HB2 TRP 42 OK 99 99 100 100 4.4-5.1 9967/3.9=67...(11) Violated in 0 structures by 0.00 A. Peak 10782 from cnoeabs.peaks (6.82, 5.62, 53.20 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: HD1 TRP 42 + HA TRP 42 OK 100 100 100 100 4.2-4.2 4.5=100 HZ2 TRP 80 - HA TRP 42 far 0 98 0 - 8.6-9.2 HZ PHE 41 - HA TRP 42 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 10783 from cnoeabs.peaks (1.62, 5.62, 53.20 ppm; 5.99 A): 2 out of 3 assignments used, quality = 1.00: HB2 ARG 44 + HA TRP 42 OK 100 100 100 100 3.1-4.0 6542/8294=92...(5) HB3 PRO 43 + HA TRP 42 OK 92 92 100 100 4.5-4.6 4.5=100 HB2 GLN 50 - HA TRP 42 far 0 100 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 10784 from cnoeabs.peaks (7.86, 8.16, 120.29 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 47 + HE3 TRP 42 OK 100 100 100 100 2.7-3.0 9263=100, 6561/9262=91...(10) HE22 GLN 49 - HE3 TRP 42 far 0 85 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 10788 from cnoeabs.peaks (1.53, 0.58, 13.39 ppm; 3.00 A): 2 out of 5 assignments used, quality = 0.96: QB ALA 73 + QD1 ILE 77 OK 90 99 100 91 2.9-3.1 8494=38, 8493/8546=34...(10) HG13 ILE 77 + QD1 ILE 77 OK 59 59 100 100 2.1-2.1 2.1=100 HG LEU 12 - QD1 ILE 77 far 0 100 0 - 6.5-6.7 HG2 ARG 44 - QD1 ILE 77 far 0 59 0 - 8.6-10.6 HG3 ARG 44 - QD1 ILE 77 far 0 63 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10789 from cnoeabs.peaks (1.41, 0.58, 13.39 ppm; 3.13 A): 1 out of 6 assignments used, quality = 0.93: QB ALA 47 + QD1 ILE 77 OK 93 95 100 98 2.0-2.3 8304=67, 8303/8546=47...(13) HB3 LYS 52 - QD1 ILE 77 far 0 96 0 - 7.5-9.1 HG LEU 70 - QD1 ILE 77 far 0 95 0 - 7.7-8.0 HG LEU 17 - QD1 ILE 77 far 0 82 0 - 9.6-10.2 HD3 LYS 84 - QD1 ILE 77 far 0 59 0 - 9.6-13.2 HG3 LYS 84 - QD1 ILE 77 far 0 68 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 10790 from cnoeabs.peaks (11.11, -0.33, 14.52 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 42 + QG2 ILE 77 OK 100 100 100 100 2.4-3.3 2.8/9966=87...(8) Violated in 0 structures by 0.00 A. Peak 10801 from cnoeabs.peaks (5.30, 1.15, 23.43 ppm; 4.65 A increased from 3.91 A): 2 out of 4 assignments used, quality = 0.93: HA ASP 26 + HG3 LYS 13 OK 83 98 95 90 4.2-6.3 3.0/8787=36, ~8787=25...(12) HA ASP 26 + HG2 LYS 13 OK 61 98 70 89 4.6-6.0 3.0/8787=36, ~8787=25...(12) HA PHE 10 - HG2 LYS 13 far 0 91 0 - 7.8-9.0 HA PHE 10 - HG3 LYS 13 far 0 91 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 10802 from cnoeabs.peaks (5.28, 1.48, 28.30 ppm; 5.43 A): 2 out of 6 assignments used, quality = 0.70: HA ASP 26 + HD3 LYS 13 OK 58 61 100 95 4.7-5.6 10801/3.0=34...(14) HA PHE 104 + HD2 LYS 13 OK 28 85 65 50 5.2-7.5 10233/10717=31, 10229/10713=27 HA ASP 26 - HD2 LYS 13 poor 15 61 25 - 4.7-6.9 HA PHE 104 - HD3 LYS 13 far 0 85 0 - 6.8-8.4 HA THR 33 - HD2 LYS 13 far 0 88 0 - 8.0-10.3 HA THR 33 - HD3 LYS 13 far 0 88 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 10825 from cnoeabs.peaks (1.97, 7.04, 131.14 ppm; 5.48 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLN 27 + QD PHE 10 OK 99 99 100 100 3.0-3.5 3.0/9015=94...(20) HB3 GLN 27 + QD PHE 10 OK 99 99 100 100 3.8-4.8 3.0/9015=94...(19) HB VAL 69 + QD PHE 10 OK 85 100 85 100 5.8-6.2 ~8452=80, ~8453=78...(15) HB2 GLU 54 - QD PHE 10 far 0 98 0 - 6.8-7.4 HB VAL 6 - QD PHE 10 far 0 84 0 - 7.5-10.7 HB3 LEU 70 - QD PHE 10 far 0 93 0 - 9.2-9.6 HB3 GLU 63 - QD PHE 10 far 0 85 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 10827 from cnoeabs.peaks (2.44, 7.04, 131.14 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.97: HB2 ASP 65 + QD PHE 10 OK 97 97 100 100 2.3-2.8 8424/2.2=76...(10) Violated in 0 structures by 0.00 A. Peak 10828 from cnoeabs.peaks (7.18, 0.23, 22.37 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 104 + QG1 VAL 102 OK 98 98 100 100 3.7-4.3 8818/8095=58, 10923=58...(18) HD1 TRP 16 - QG1 VAL 102 far 0 77 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 10829 from cnoeabs.peaks (7.20, 0.84, 22.84 ppm; 4.34 A): 0 out of 3 assignments used, quality = 0.00: QD PHE 104 - QG2 VAL 102 far 0 77 0 - 5.4-5.8 QD PHE 104 - QD2 LEU 17 far 0 58 0 - 8.3-9.2 HZ3 TRP 80 - QD2 LEU 17 far 0 78 0 - 9.1-10.0 Violated in 20 structures by 1.11 A. Peak 10830 from cnoeabs.peaks (6.96, 0.84, 22.84 ppm; 4.15 A): 1 out of 5 assignments used, quality = 0.81: QE PHE 41 + QD2 LEU 17 OK 81 83 100 97 3.3-4.4 ~10938=43, 10407=33...(16) HD22 ASN 108 - QD2 LEU 17 far 4 83 5 - 4.7-17.3 HE21 GLN 72 - QG2 VAL 102 far 0 100 0 - 4.8-5.1 HE22 GLN 19 - QD2 LEU 17 far 0 64 0 - 4.9-7.9 HZ PHE 99 - QG2 VAL 102 far 0 77 0 - 5.2-5.6 Violated in 1 structures by 0.01 A. Peak 10831 from cnoeabs.peaks (2.60, 0.90, 21.00 ppm; 5.42 A): 2 out of 4 assignments used, quality = 0.98: HE2 LYS 13 + QG2 VAL 103 OK 95 100 95 100 4.7-6.1 8801/2.1=99, ~8806=66...(17) HE2 LYS 13 + QG1 VAL 103 OK 63 63 100 100 2.8-3.8 8801=75, 1.8/8806=43...(15) HG3 GLN 72 - QG2 VAL 103 far 0 68 0 - 7.3-8.4 HG3 GLN 72 - QG1 VAL 103 far 0 36 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 10832 from cnoeabs.peaks (2.60, 0.87, 20.65 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: HE2 LYS 13 + QG1 VAL 103 OK 100 100 100 100 2.8-3.8 8801=100, 1.8/8806=60...(15) HE2 LYS 13 - QG2 VAL 103 far 0 64 0 - 4.7-6.1 HG3 GLN 72 - QG2 VAL 103 far 0 32 0 - 7.3-8.4 HG3 GLN 72 - QG1 VAL 103 far 0 61 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 10833 from cnoeabs.peaks (2.46, 0.87, 20.65 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.95: HE3 LYS 13 + QG1 VAL 103 OK 93 93 100 100 2.1-4.1 1.8/8801=91, 8806=72...(15) HE3 LYS 13 + QG2 VAL 103 OK 32 54 60 99 4.1-6.1 8806/2.1=65, ~8801=62...(17) HB2 ASP 65 - QG1 VAL 6 far 0 78 0 - 6.2-9.4 HB2 ASP 65 - QG2 VAL 6 far 0 68 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 10834 from cnoeabs.peaks (2.92, 0.90, 21.00 ppm; 5.29 A): 3 out of 6 assignments used, quality = 0.87: HB2 PHE 104 + QG1 VAL 103 OK 57 58 100 100 4.2-5.8 3.0/10231=83...(12) HB3 PHE 104 + QG1 VAL 103 OK 53 56 95 100 4.9-6.0 3.0/10231=83, ~10725=57...(12) HB2 PHE 104 + QG2 VAL 103 OK 34 96 35 100 5.8-6.3 ~10233=61, 10725/3.2=59...(12) HB3 PHE 104 - QG2 VAL 103 far 0 95 0 - 6.7-6.9 HB3 HIS 111 - QG1 VAL 103 far 0 42 0 - 7.7-17.6 HB3 HIS 111 - QG2 VAL 103 far 0 77 0 - 9.0-19.7 Violated in 0 structures by 0.00 A. Peak 10835 from cnoeabs.peaks (8.63, 5.25, 57.13 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.99: H PHE 104 + HA PHE 104 OK 99 99 100 100 2.9-2.9 3.0=100 H GLY 106 + HA PHE 104 OK 28 82 35 98 5.6-6.5 4.6/2921=77...(5) Violated in 0 structures by 0.00 A. Peak 10836 from cnoeabs.peaks (0.94, 3.81, 64.55 ppm; 5.53 A increased from 4.91 A): 2 out of 6 assignments used, quality = 0.96: HB2 LEU 15 + HB3 SER 105 OK 95 95 100 100 4.9-5.4 2.9/11143=91...(8) HB2 LEU 15 + HB2 SER 105 OK 28 95 30 99 5.6-6.7 ~11143=70, ~10253=57...(8) QG1 VAL 14 - HB3 SER 105 far 15 99 15 - 6.0-6.7 QG1 VAL 14 - HB2 SER 105 far 0 99 0 - 6.4-7.8 QG1 VAL 76 - HB3 SER 105 far 0 100 0 - 8.9-9.5 QG1 VAL 76 - HB2 SER 105 far 0 100 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 10837 from cnoeabs.peaks (3.94, 0.77, 13.56 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: HB THR 33 + QD1 ILE 11 OK 100 100 100 100 2.8-3.1 8213=100, ~9106=54...(12) HA LEU 70 + QD1 ILE 23 OK 89 95 100 95 4.6-4.8 8466/8144=63...(6) HA3 GLY 30 - QD1 ILE 11 far 0 88 0 - 8.9-9.1 HA LEU 70 - QD1 ILE 11 far 0 100 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10839 from cnoeabs.peaks (0.89, 1.18, 43.12 ppm; 3.69 A): 1 out of 5 assignments used, quality = 0.98: QG1 VAL 69 + HB2 LEU 12 OK 98 100 100 98 3.2-3.5 11219=79, 9814/1.8=54...(10) QD1 LEU 51 - HB2 LEU 12 far 0 68 0 - 4.9-5.2 QG2 VAL 103 - HB2 LEU 12 far 0 100 0 - 5.2-6.7 QG1 VAL 103 - HB2 LEU 12 far 0 91 0 - 5.6-7.5 QG2 ILE 67 - HB2 LEU 12 far 0 99 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 10840 from cnoeabs.peaks (0.90, 1.86, 43.12 ppm; 4.26 A increased from 3.41 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 69 + HB3 LEU 12 OK 99 99 100 100 4.0-4.3 10839/1.8=88, 9814=88...(12) QG2 VAL 103 + HB3 LEU 12 OK 62 100 95 65 4.1-5.6 8587/11265=36...(4) QG1 VAL 103 - HB3 LEU 12 far 4 79 5 - 4.6-6.6 QG2 ILE 67 - HB3 LEU 12 far 0 100 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 10841 from cnoeabs.peaks (0.78, 1.86, 43.12 ppm; 4.37 A): 0 out of 8 assignments used, quality = 0.00: QG2 VAL 69 - HB3 LEU 12 far 0 100 0 - 5.4-5.6 QD2 LEU 109 - HB2 LEU 17 far 0 74 0 - 5.6-20.8 QD1 ILE 11 - HB3 LEU 12 far 0 99 0 - 6.3-6.5 QG2 ILE 23 - HB3 LEU 12 far 0 82 0 - 6.5-6.8 QD1 ILE 23 - HB3 LEU 12 far 0 90 0 - 6.5-6.8 QG2 ILE 23 - HB2 LEU 17 far 0 67 0 - 8.4-8.7 QD2 LEU 36 - HB3 LEU 12 far 0 97 0 - 8.5-8.7 QD2 LEU 109 - HB3 LEU 12 far 0 90 0 - 9.2-18.4 Violated in 20 structures by 0.46 A. Peak 10842 from cnoeabs.peaks (0.78, 1.18, 43.12 ppm; 4.50 A increased from 4.23 A): 1 out of 8 assignments used, quality = 1.00: QG2 VAL 69 + HB2 LEU 12 OK 100 100 100 100 4.1-4.4 2.1/10839=90, 10473=62...(14) QD1 ILE 23 - HB2 LEU 12 far 0 79 0 - 5.6-5.9 QG2 ILE 23 - HB2 LEU 12 far 0 92 0 - 6.2-6.5 QD1 ILE 11 - HB2 LEU 12 far 0 95 0 - 6.2-6.9 QD2 LEU 36 - HB2 LEU 12 far 0 100 0 - 7.4-7.6 QD1 ILE 67 - HB2 LEU 12 far 0 94 0 - 9.2-9.5 HG2 LYS 52 - HB2 LEU 12 far 0 99 0 - 9.4-11.8 HB3 LEU 55 - HB2 LEU 12 far 0 97 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 10843 from cnoeabs.peaks (1.97, 1.86, 43.12 ppm; 4.52 A): 2 out of 7 assignments used, quality = 1.00: HB VAL 69 + HB3 LEU 12 OK 100 100 100 100 4.0-4.4 2.1/9814=75, ~11219=66...(11) HB2 GLN 72 + HB3 LEU 12 OK 95 95 100 100 3.9-4.0 8075/3.1=80, ~8476=48...(21) HB3 GLU 101 - HB3 LEU 12 poor 17 81 95 22 4.5-5.1 10684/484=9, 3569/3.1=8...(4) HB3 GLN 19 - HB2 LEU 17 far 0 88 0 - 6.1-6.7 HB3 LEU 70 - HB3 LEU 12 far 0 84 0 - 8.6-8.9 HG2 PRO 100 - HB3 LEU 12 far 0 98 0 - 8.9-9.6 HB3 PRO 100 - HB3 LEU 12 far 0 92 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10844 from cnoeabs.peaks (1.97, 1.18, 43.12 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: HB VAL 69 + HB2 LEU 12 OK 100 100 100 100 2.4-2.8 2.1/10839=100...(11) HB2 GLN 72 + HB2 LEU 12 OK 92 92 100 100 4.7-5.0 8075/3.1=97, ~8476=78...(21) HB3 GLU 101 - HB2 LEU 12 poor 20 85 100 23 5.8-6.3 3569/3.1=11, 10843/1.8=8 HB3 LEU 70 - HB2 LEU 12 far 0 88 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 10845 from cnoeabs.peaks (8.91, 0.85, 23.88 ppm; 2.99 A): 1 out of 10 assignments used, quality = 0.88: H ALA 24 + QD1 LEU 12 OK 88 99 100 89 2.8-3.2 8938=44, 6292/8155=27...(15) H ALA 24 - QG2 VAL 25 far 0 97 0 - 4.2-4.5 H ALA 24 - QD1 LEU 51 far 0 91 0 - 4.8-5.3 H ASN 71 - QD1 LEU 12 far 0 77 0 - 5.4-5.7 H ASN 71 - QG2 VAL 25 far 0 74 0 - 5.9-6.1 H LEU 15 - QD1 LEU 12 far 0 95 0 - 6.2-6.7 H ASN 71 - QD1 LEU 51 far 0 67 0 - 7.0-7.2 H LEU 15 - QG2 VAL 25 far 0 92 0 - 8.4-8.7 H LEU 15 - QD1 LEU 51 far 0 86 0 - 9.1-9.6 H TRP 80 - QD1 LEU 12 far 0 81 0 - 9.1-9.5 Violated in 1 structures by 0.01 A. Peak 10846 from cnoeabs.peaks (8.92, 0.63, 25.54 ppm; 4.94 A): 1 out of 4 assignments used, quality = 1.00: H ALA 24 + QD2 LEU 12 OK 100 100 100 100 4.4-5.0 10845/2.1=99...(9) H ASN 71 - QD2 LEU 12 far 0 88 0 - 5.7-6.1 H LEU 15 - QD2 LEU 12 far 0 87 0 - 6.2-6.6 H TRP 80 - QD2 LEU 12 far 0 68 0 - 8.0-8.2 Violated in 1 structures by 0.00 A. Peak 10848 from cnoeabs.peaks (8.55, 5.36, 59.20 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: H VAL 14 + HA VAL 14 OK 99 99 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 10850 from cnoeabs.peaks (0.80, 5.36, 59.20 ppm; 5.79 A): 3 out of 7 assignments used, quality = 1.00: QG2 ILE 23 + HA VAL 14 OK 100 100 100 100 3.3-3.7 10770=100, 6294/10317=82...(13) QG2 VAL 102 + HA VAL 14 OK 63 63 100 100 6.0-6.2 ~8095=79, ~8527=76...(13) HG LEU 15 + HA VAL 14 OK 37 59 100 63 5.9-6.2 6152/3.6=35, 3.0/344=19...(4) QD1 LEU 17 - HA VAL 14 far 0 70 0 - 7.5-8.0 QD1 LEU 109 - HA VAL 14 far 0 59 0 - 8.1-15.0 QD1 ILE 11 - HA VAL 14 far 0 65 0 - 9.4-9.8 QG2 VAL 69 - HA VAL 14 far 0 88 0 - 9.6-9.7 Violated in 0 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (0.27, 5.36, 59.20 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.84: QG2 VAL 76 + HA VAL 14 OK 84 84 100 100 5.3-5.5 9955/3.2=84, ~10930=82...(10) Violated in 0 structures by 0.00 A. Peak 10852 from cnoeabs.peaks (1.77, 0.50, 23.02 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: HB ILE 23 + QG2 VAL 14 OK 100 100 100 100 3.0-3.4 3.0/8084=76, 2.1/8140=50...(15) Violated in 0 structures by 0.00 A. Peak 10853 from cnoeabs.peaks (0.24, 0.95, 22.15 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.96: QG1 VAL 102 + QG1 VAL 14 OK 96 96 100 100 3.1-3.3 8095/2.1=98, 8528/2.1=71...(15) QG1 VAL 102 - QG1 VAL 25 far 0 45 0 - 7.1-7.5 HG2 LYS 98 - QG1 VAL 14 far 0 99 0 - 7.4-9.9 QG1 VAL 102 - QG2 THR 74 far 0 48 0 - 7.7-7.9 HG2 LYS 98 - QG2 THR 74 far 0 52 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10854 from cnoeabs.peaks (0.29, 0.50, 23.02 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 76 + QG2 VAL 14 OK 100 100 100 100 2.1-2.4 9955=88, 8505/8527=52...(19) QG1 VAL 21 - QG2 VAL 14 far 0 93 0 - 4.8-5.1 HG2 LYS 98 - QG2 VAL 14 far 0 61 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 10855 from cnoeabs.peaks (6.92, 2.36, 42.84 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: H LEU 17 + HB3 LEU 17 OK 100 100 100 100 2.1-2.4 4.0=100 QD PHE 41 + HB3 LEU 17 OK 93 93 100 100 5.8-6.4 ~11146=71, ~10830=71...(8) HE22 GLN 19 - HB3 LEU 17 far 0 96 0 - 7.9-9.4 HD22 ASN 108 - HB3 LEU 17 far 0 68 0 - 8.9-21.2 Violated in 0 structures by 0.00 A. Peak 10856 from cnoeabs.peaks (8.37, 1.86, 42.84 ppm; 4.44 A): 3 out of 5 assignments used, quality = 0.99: H VAL 103 + HB3 LEU 12 OK 83 88 100 94 3.7-4.5 7288=46, 2876/11265=44...(8) H ASP 18 + HB2 LEU 17 OK 74 75 100 99 1.9-1.9 4.6=90, 6663/3.0=31...(8) H ALA 73 + HB3 LEU 12 OK 68 85 80 100 4.9-5.1 8488/3.1=78, 8487/3.1=76...(19) H GLU 110 - HB2 LEU 17 far 0 97 0 - 6.8-21.4 H ILE 77 - HB3 LEU 12 far 0 73 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 10859 from cnoeabs.peaks (8.66, -0.02, 33.22 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.94: H VAL 21 + HB VAL 21 OK 94 94 100 100 3.3-3.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 10860 from cnoeabs.peaks (11.11, 0.31, 20.01 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.95: HE1 TRP 42 + QG1 VAL 21 OK 95 98 100 97 1.9-2.5 10861/2.1=65...(9) Violated in 0 structures by 0.00 A. Peak 10861 from cnoeabs.peaks (11.11, 0.70, 22.15 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.97: HE1 TRP 42 + QG2 VAL 21 OK 97 100 100 97 4.4-4.8 10860/2.1=82, ~10714=43...(6) Violated in 4 structures by 0.01 A. Peak 10862 from cnoeabs.peaks (6.91, 0.31, 20.01 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.83: HH2 TRP 80 + QG1 VAL 21 OK 63 68 100 94 3.7-4.0 4.3/8875=52...(7) H LEU 17 + QG1 VAL 21 OK 54 99 65 84 4.9-5.3 8841/3.2=57...(3) QD PHE 41 - QG1 VAL 21 far 0 99 0 - 5.7-6.5 HZ PHE 99 - QG1 VAL 21 far 0 91 0 - 8.6-8.9 HE22 GLN 19 - QG1 VAL 21 far 0 85 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 10863 from cnoeabs.peaks (6.80, 0.31, 20.01 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.99: HZ2 TRP 80 + QG1 VAL 21 OK 97 99 100 98 3.9-4.2 5.0/8875=36, ~10519=35...(14) HD1 TRP 42 + QG1 VAL 21 OK 77 79 100 98 1.8-2.0 2.6/10860=62...(9) HZ PHE 41 - QG1 VAL 21 far 0 71 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 10864 from cnoeabs.peaks (8.44, 0.70, 22.15 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.78: H ALA 22 + QG2 VAL 21 OK 78 90 100 87 2.9-3.1 4.3=62, 576/3.2=44...(7) H ASN 78 - QG2 VAL 21 far 0 94 0 - 5.8-6.2 H ASP 18 - QG2 VAL 21 far 0 70 0 - 6.7-7.1 H TRP 48 - QG2 VAL 21 far 0 91 0 - 7.1-7.5 H ASP 82 - QG2 VAL 21 far 0 84 0 - 7.2-7.6 H THR 74 - QG2 VAL 21 far 0 59 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 10865 from cnoeabs.peaks (6.91, 0.70, 22.15 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.98: H LEU 17 + QG2 VAL 21 OK 98 99 100 99 3.5-3.7 3.6/10988=78...(6) HH2 TRP 80 - QG2 VAL 21 far 0 68 0 - 6.1-6.3 QD PHE 41 - QG2 VAL 21 far 0 99 0 - 6.4-6.9 HZ PHE 99 - QG2 VAL 21 far 0 91 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 10866 from cnoeabs.peaks (1.30, 0.20, 23.38 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.98: HB2 LYS 13 + QB ALA 24 OK 98 99 100 100 1.9-3.5 1.8/8797=94, 8795=68...(13) Violated in 0 structures by 0.00 A. Peak 10867 from cnoeabs.peaks (1.60, 0.20, 23.38 ppm; 6.00 A): 2 out of 6 assignments used, quality = 1.00: HB3 LYS 13 + QB ALA 24 OK 100 100 100 100 1.9-3.8 8797=100, 1.8/10866=95...(14) HB ILE 11 + QB ALA 24 OK 22 73 95 32 6.3-6.9 8757/8540=16...(3) HG LEU 36 - QB ALA 24 far 0 71 0 - 7.3-7.6 HB2 GLN 50 - QB ALA 24 far 0 84 0 - 7.4-7.9 HG13 ILE 77 - QB ALA 24 far 0 84 0 - 8.1-8.5 HB2 LEU 55 - QB ALA 24 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10868 from cnoeabs.peaks (1.10, 1.97, 31.64 ppm; 3.96 A): 2 out of 11 assignments used, quality = 0.95: QG2 THR 8 + HB2 GLN 27 OK 91 91 100 100 3.3-3.6 8031=90, 8032/3.0=56...(12) QG2 THR 8 + HB3 GLN 27 OK 50 90 55 99 4.4-4.7 8031/1.8=77, 8032/3.0=56...(11) HG LEU 51 - HB VAL 69 far 0 79 0 - 5.1-5.4 HB2 LEU 51 - HB VAL 69 far 0 80 0 - 6.5-7.2 QG2 THR 8 - HB2 LYS 31 far 0 76 0 - 7.5-8.1 HG3 ARG 66 - HB VAL 69 far 0 59 0 - 7.5-8.2 HD3 LYS 98 - HB3 PRO 100 far 0 57 0 - 8.6-10.8 HG3 ARG 66 - HB2 GLN 27 far 0 82 0 - 8.8-11.6 HG3 ARG 66 - HB3 GLN 27 far 0 82 0 - 9.8-13.0 HB VAL 14 - HB VAL 69 far 0 71 0 - 9.9-10.2 QG2 THR 8 - HB VAL 69 far 0 67 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 10869 from cnoeabs.peaks (1.06, 4.24, 60.60 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.93: QG2 THR 8 + HA VAL 29 OK 93 93 100 100 2.6-2.8 8030/804=86, 9061/810=77...(8) HG12 ILE 11 - HA VAL 102 far 0 67 0 - 7.9-8.3 HG12 ILE 11 - HA VAL 29 far 0 95 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 10871 from cnoeabs.peaks (1.62, 1.15, 24.55 ppm; 3.14 A): 1 out of 6 assignments used, quality = 1.00: HD2 LYS 58 + QD1 LEU 36 OK 100 100 100 100 2.0-3.3 1.8/10873=55...(24) HB2 LEU 55 - QD1 LEU 36 far 0 92 0 - 6.3-6.6 HB2 ARG 66 - QD1 LEU 36 far 0 68 0 - 7.5-8.0 HB ILE 28 - QD1 LEU 36 far 0 100 0 - 7.8-8.0 HB ILE 11 - QD1 LEU 36 far 0 100 0 - 8.6-8.8 HB3 LYS 13 - QD1 LEU 36 far 0 87 0 - 9.8-11.1 Violated in 1 structures by 0.01 A. Peak 10872 from cnoeabs.peaks (1.63, 0.79, 25.52 ppm; 3.72 A): 1 out of 8 assignments used, quality = 0.99: HD2 LYS 58 + QD2 LEU 36 OK 99 99 100 100 2.8-3.4 10871/2.1=81...(26) HB2 LEU 55 - QD2 LEU 36 far 0 81 0 - 4.6-4.9 HB ILE 28 - QD2 LEU 36 far 0 98 0 - 6.7-6.9 HB ILE 11 - QD2 LEU 36 far 0 100 0 - 6.9-7.1 HB3 LYS 13 - QD2 LEU 36 far 0 73 0 - 8.7-10.0 HG13 ILE 67 - QD2 LEU 36 far 0 70 0 - 9.6-10.0 HB2 LEU 70 - QD2 LEU 36 far 0 84 0 - 9.6-9.9 HB2 GLN 50 - QD2 LEU 36 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10873 from cnoeabs.peaks (1.35, 1.15, 24.55 ppm; 3.62 A increased from 3.05 A): 1 out of 1 assignment used, quality = 0.99: HD3 LYS 58 + QD1 LEU 36 OK 99 99 100 100 2.2-3.5 10441=95, 1.8/10871=85...(24) Violated in 0 structures by 0.00 A. Peak 10874 from cnoeabs.peaks (1.35, 0.79, 25.52 ppm; 3.85 A increased from 3.62 A): 1 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + QD2 LEU 36 OK 100 100 100 100 3.1-3.7 1.8/10872=78...(25) QB ALA 64 - QD2 LEU 36 far 0 92 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 10876 from cnoeabs.peaks (0.20, 6.60, 133.14 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 24 + QD TYR 39 OK 99 99 100 100 2.2-3.2 8147=100, 8972/2.2=93...(11) QG1 VAL 102 - QD TYR 39 far 0 85 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 10878 from cnoeabs.peaks (9.07, 7.13, 132.58 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.99: H PHE 40 + QD PHE 40 OK 99 99 100 100 2.6-3.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 10879 from cnoeabs.peaks (9.29, 7.13, 132.58 ppm; 5.89 A): 1 out of 3 assignments used, quality = 0.94: H PHE 41 + QD PHE 40 OK 94 94 100 100 3.7-4.3 4.6=100 H TRP 42 - QD PHE 40 far 0 98 0 - 7.3-7.5 H LEU 36 - QD PHE 40 far 0 96 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 10881 from cnoeabs.peaks (8.27, 7.07, 130.15 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: H SER 38 + QE PHE 40 OK 100 100 100 100 3.7-4.0 4.0/10400=80...(8) Violated in 0 structures by 0.00 A. Peak 10882 from cnoeabs.peaks (8.81, 2.66, 41.01 ppm; 5.30 A): 3 out of 5 assignments used, quality = 1.00: H ILE 23 + HB2 PHE 40 OK 99 99 100 100 3.0-3.3 8562/6486=81...(6) H GLU 63 + HB3 ASP 65 OK 81 81 100 100 4.8-5.0 6820/8390=87...(6) H ALA 64 + HB3 ASP 65 OK 54 54 100 100 4.6-4.9 2.9/9691=81, 4.6/6847=78...(7) H ILE 90 - HB2 ASP 82 far 0 69 0 - 8.1-8.9 H LYS 13 - HB2 PHE 40 far 0 57 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 10883 from cnoeabs.peaks (1.01, 7.13, 132.58 ppm; 5.98 A): 3 out of 3 assignments used, quality = 1.00: QG2 THR 37 + QD PHE 40 OK 97 97 100 100 4.6-5.2 ~10395=81, ~10395=79...(12) HB3 GLN 50 + QD PHE 40 OK 90 90 100 100 3.0-3.4 1.8/10752=95...(15) QG1 VAL 25 + QD PHE 40 OK 40 68 70 83 6.5-6.7 2.1/9218=40, 680/9220=29...(5) Violated in 0 structures by 0.00 A. Peak 10884 from cnoeabs.peaks (0.76, 7.13, 132.58 ppm; 5.96 A): 1 out of 6 assignments used, quality = 0.99: QD1 ILE 23 + QD PHE 40 OK 99 99 100 100 3.0-3.7 2.1/8902=99, 2.1/8903=98...(20) HG2 LYS 52 - QD PHE 40 far 0 66 0 - 6.9-8.2 QG2 VAL 69 - QD PHE 40 far 0 90 0 - 7.3-7.5 QD2 LEU 36 - QD PHE 40 far 0 72 0 - 8.1-8.4 HB3 LEU 55 - QD PHE 40 far 0 98 0 - 9.8-10.1 QD2 LEU 109 - QD PHE 40 far 0 99 0 - 10.0-17.6 Violated in 0 structures by 0.00 A. Peak 10886 from cnoeabs.peaks (1.24, 2.66, 41.01 ppm; 5.65 A): 3 out of 9 assignments used, quality = 1.00: HG13 ILE 23 + HB2 PHE 40 OK 99 99 100 100 2.4-2.8 1.8/8915=96, 2.1/8917=96...(15) HB2 LEU 83 + HB2 ASP 82 OK 87 88 100 99 5.3-5.7 3.1/10577=80, ~10247=68...(7) HB ILE 61 + HB3 ASP 65 OK 52 52 100 100 4.5-5.9 2.1/8373=97, ~8372=89...(5) HG2 LYS 84 - HB2 ASP 82 far 9 60 15 - 6.0-9.2 HD2 LYS 84 - HB2 ASP 82 far 0 51 0 - 7.5-10.5 HG12 ILE 67 - HB3 ASP 65 far 0 85 0 - 8.1-8.2 HB3 LEU 15 - HB2 PHE 40 far 0 98 0 - 8.2-8.8 HG12 ILE 28 - HB3 ASP 65 far 0 57 0 - 8.9-9.2 HD2 LYS 52 - HB2 PHE 40 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 10887 from cnoeabs.peaks (1.71, 2.66, 41.01 ppm; 6.00 A): 3 out of 8 assignments used, quality = 1.00: HG12 ILE 23 + HB2 PHE 40 OK 100 100 100 100 2.6-3.0 8914/1.8=98, 2.1/8917=98...(16) HB3 ARG 66 + HB3 ASP 65 OK 88 89 100 99 4.1-5.6 6860/6857=97...(3) HB3 LYS 88 + HB2 ASP 82 OK 59 70 100 83 5.3-6.2 10073/10577=71...(3) HG LEU 55 - HB3 ASP 65 far 0 62 0 - 7.2-8.4 HB VAL 25 - HB2 PHE 40 far 0 100 0 - 7.5-8.1 HB3 LEU 36 - HB3 ASP 65 far 0 57 0 - 9.4-10.0 HG LEU 55 - HB2 PHE 40 far 0 77 0 - 9.4-9.8 HB VAL 25 - HB3 ASP 65 far 0 88 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 10888 from cnoeabs.peaks (0.85, 2.66, 41.01 ppm; 6.00 A increased from 5.67 A): 2 out of 13 assignments used, quality = 1.00: QD1 LEU 51 + HB2 PHE 40 OK 100 100 100 100 5.7-5.9 9220/2.5=100...(13) QD1 LEU 12 + HB2 PHE 40 OK 74 100 100 74 6.2-6.4 188/8917=39...(5) QG1 VAL 6 - HB3 ASP 65 lone 1 86 35 4 6.1-9.2 10877/11138=2 HB2 LYS 84 - HB2 ASP 82 far 0 82 0 - 6.7-8.2 QG2 VAL 25 - HB2 PHE 40 far 0 100 0 - 6.7-7.2 QG2 VAL 6 - HB3 ASP 65 far 0 83 0 - 6.8-9.7 QG2 VAL 25 - HB3 ASP 65 far 0 88 0 - 7.2-7.8 QD1 LEU 51 - HB3 ASP 65 far 0 88 0 - 7.5-8.4 QD1 LEU 17 - HB2 PHE 40 far 0 96 0 - 8.0-8.7 HD2 LYS 98 - HB2 ASP 82 far 0 81 0 - 8.4-10.5 QG2 ILE 11 - HB3 ASP 65 far 0 89 0 - 9.4-9.7 QD1 LEU 12 - HB3 ASP 65 far 0 88 0 - 9.9-10.5 QG1 VAL 103 - HB2 PHE 40 far 0 93 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 10889 from cnoeabs.peaks (4.59, 7.09, 128.43 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HB THR 37 + HZ PHE 40 OK 100 100 100 100 2.0-3.1 10395/2.2=97, ~10400=84...(13) Violated in 0 structures by 0.00 A. Peak 10890 from cnoeabs.peaks (4.24, 7.07, 130.15 ppm; 6.00 A): 3 out of 5 assignments used, quality = 1.00: HA SER 38 + QE PHE 40 OK 99 100 100 99 5.6-6.0 3.0/10881=80...(10) HA ALA 47 + QE PHE 40 OK 98 98 100 100 5.3-5.6 9288/2.2=90, ~9289=83...(10) HA ALA 24 + QE PHE 40 OK 97 97 100 100 3.0-4.5 8966/2.2=95...(8) HA VAL 102 - QE PHE 99 far 0 81 0 - 7.5-8.1 HB THR 74 - QE PHE 99 far 0 77 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 10891 from cnoeabs.peaks (2.35, 7.09, 128.43 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: HG2 GLU 54 + HZ PHE 40 OK 100 100 100 100 1.8-1.9 1.8/10765=87...(24) HG2 GLU 56 - HZ PHE 40 far 0 59 0 - 9.1-10.9 HB2 PHE 41 - HZ PHE 40 far 0 61 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 10892 from cnoeabs.peaks (2.25, 7.09, 128.43 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 54 + HZ PHE 40 OK 100 100 100 100 2.5-3.6 1.8/10764=99, ~9946=91...(21) HB3 GLN 49 - HZ PHE 40 far 0 100 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 10893 from cnoeabs.peaks (0.98, 7.09, 128.43 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 37 + HZ PHE 40 OK 97 97 100 100 2.7-4.1 10400/2.2=100...(15) QG1 VAL 25 - HZ PHE 40 far 15 99 15 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 10894 from cnoeabs.peaks (2.37, 1.57, 26.05 ppm; 5.67 A): 2 out of 8 assignments used, quality = 1.00: HB2 PHE 41 + HG3 ARG 44 OK 98 99 100 100 2.7-6.1 10896/2.9=70, ~10902=70...(11) HB2 PHE 41 + HG2 ARG 44 OK 98 98 100 100 3.0-5.6 10896/2.9=70, ~10902=70...(11) HG2 GLN 50 - HG2 ARG 44 far 0 94 0 - 7.7-9.9 HB3 LEU 17 - HG2 ARG 44 far 0 99 0 - 7.8-11.6 HB3 LEU 17 - HG3 ARG 44 far 0 99 0 - 8.2-11.1 HG3 GLN 19 - HG2 ARG 44 far 0 91 0 - 9.1-13.8 HG2 GLN 50 - HG3 ARG 44 far 0 94 0 - 9.1-10.6 HG3 GLN 19 - HG3 ARG 44 far 0 91 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 10895 from cnoeabs.peaks (2.20, 1.57, 26.05 ppm; 5.31 A): 2 out of 4 assignments used, quality = 0.66: HB2 ASN 20 + HG2 ARG 44 OK 45 98 75 60 4.1-7.2 10897/2.9=41...(3) HB2 ASN 20 + HG3 ARG 44 OK 39 99 65 60 5.0-7.0 10897/2.9=41...(3) HG2 GLU 110 - HG2 ARG 44 far 0 69 0 - 8.4-28.0 HG2 GLU 110 - HG3 ARG 44 far 0 70 0 - 10.0-29.2 Violated in 11 structures by 0.10 A. Peak 10896 from cnoeabs.peaks (2.39, 1.62, 30.40 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: HB2 PHE 41 + HB2 ARG 44 OK 100 100 100 100 2.2-3.7 1.8/10899=95, ~10902=78...(12) HG2 GLN 50 - HB2 ARG 44 far 0 100 0 - 7.1-8.3 HB3 LEU 17 - HB2 ARG 44 far 0 85 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 10897 from cnoeabs.peaks (2.22, 1.62, 30.40 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.69: HB2 ASN 20 + HB2 ARG 44 OK 69 97 100 71 4.8-6.4 11055/10899=38...(4) HB2 GLN 19 - HB2 ARG 44 far 0 61 0 - 9.2-10.5 Violated in 19 structures by 0.16 A. Peak 10899 from cnoeabs.peaks (3.02, 1.62, 30.40 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: HB3 PHE 41 + HB2 ARG 44 OK 100 100 100 100 2.3-3.2 10902/1.8=84...(12) Violated in 0 structures by 0.00 A. Peak 10902 from cnoeabs.peaks (3.02, 1.89, 30.40 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.96: HB3 PHE 41 + HB3 ARG 44 OK 96 100 100 97 2.5-4.4 10899/1.8=72, ~10896=42...(7) Violated in 1 structures by 0.00 A. Peak 10903 from cnoeabs.peaks (3.02, 1.57, 26.05 ppm; 4.64 A increased from 3.71 A): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 41 + HG3 ARG 44 OK 99 100 100 99 3.1-5.0 10902/2.9=70...(12) HB3 PHE 41 + HG2 ARG 44 OK 99 100 100 99 2.8-4.6 10902/2.9=70...(12) Violated in 0 structures by 0.00 A. Peak 10904 from cnoeabs.peaks (0.51, 1.43, 20.20 ppm; 4.67 A): 2 out of 4 assignments used, quality = 1.00: HG12 ILE 77 + QB ALA 47 OK 99 100 100 99 3.7-4.0 2.1/8304=95...(7) QD2 LEU 51 + QB ALA 47 OK 77 81 100 95 4.5-5.1 8144/8303=58...(10) QG2 VAL 14 - QB ALA 47 far 0 100 0 - 5.4-5.7 HB2 LYS 52 - QB ALA 47 far 0 73 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10905 from cnoeabs.peaks (0.86, 1.43, 20.20 ppm; 6.00 A): 2 out of 11 assignments used, quality = 1.00: QD1 LEU 51 + QB ALA 47 OK 98 100 100 98 5.8-6.3 9220/9289=87...(5) QD1 LEU 12 + QB ALA 47 OK 77 98 100 79 5.2-5.5 188/8303=44...(5) QG2 VAL 25 - QB ALA 47 far 10 99 10 - 6.4-6.8 QD1 LEU 17 - QB ALA 47 lone 1 90 25 3 6.5-7.1 10307/8313=1 QG2 VAL 102 - QB ALA 47 far 0 93 0 - 8.1-8.5 QD2 LEU 17 - QB ALA 47 far 0 96 0 - 8.6-9.2 QG1 VAL 103 - QB ALA 47 far 0 98 0 - 9.1-10.7 QG1 VAL 69 - QB ALA 47 far 0 70 0 - 9.3-9.5 HG LEU 15 - QB ALA 47 far 0 95 0 - 9.5-9.9 QD1 LEU 109 - QB ALA 47 far 0 95 0 - 9.7-17.3 QG2 VAL 103 - QB ALA 47 far 0 63 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 10906 from cnoeabs.peaks (1.24, 3.46, 57.68 ppm; 5.16 A): 1 out of 4 assignments used, quality = 1.00: HD2 LYS 52 + HA GLN 49 OK 100 100 100 100 1.8-3.4 9422=92, 3.4/1356=81...(13) HG13 ILE 23 - HA LEU 51 far 0 70 0 - 6.3-6.6 HD2 LYS 52 - HA LEU 51 far 0 71 0 - 6.6-7.9 HG13 ILE 23 - HA GLN 49 far 0 99 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 10907 from cnoeabs.peaks (1.15, 3.46, 57.68 ppm; 5.06 A): 2 out of 8 assignments used, quality = 1.00: HD3 LYS 52 + HA GLN 49 OK 99 99 100 100 2.3-3.4 3.4/1356=79, 1.8/9422=79...(13) HG LEU 51 + HA LEU 51 OK 36 36 100 100 3.4-3.6 4.3=100 HG LEU 51 - HA GLN 49 far 0 59 0 - 5.8-6.3 HD3 LYS 52 - HA LEU 51 far 0 70 0 - 6.9-7.7 QD1 LEU 36 - HA LEU 51 far 0 72 0 - 7.9-8.2 HB2 LEU 12 - HA LEU 51 far 0 47 0 - 8.6-8.9 HG3 ARG 66 - HA LEU 51 far 0 63 0 - 9.8-10.6 HG3 LYS 13 - HA LEU 51 far 0 72 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (2.66, 0.86, 23.70 ppm; 6.00 A): 6 out of 12 assignments used, quality = 1.00: HB2 PHE 40 + QD1 LEU 51 OK 100 100 100 100 5.7-5.9 2.5/9220=100...(13) HB3 PHE 10 + QG2 VAL 25 OK 83 83 100 100 4.1-4.3 8044/2.1=100, ~8154=89...(11) HB2 PHE 40 + QD1 LEU 12 OK 76 94 100 81 6.2-6.4 10888=42, 8917/188=38...(5) HB3 PHE 10 + QD1 LEU 51 OK 73 100 100 73 5.5-5.7 8044/680=44, 2.5/8723=38 HG3 GLN 72 + QD1 LEU 12 OK 69 69 100 100 3.3-3.9 ~9880=90, 1.8/8775=87...(22) HG3 GLN 72 + QG2 VAL 25 OK 27 58 100 46 4.9-5.1 9873/10921=25...(3) HG3 GLN 72 - QD1 LEU 51 far 0 79 0 - 6.7-7.0 HB2 PHE 40 - QG2 VAL 25 far 0 83 0 - 6.7-7.2 HB3 PHE 10 - QD1 LEU 12 far 0 94 0 - 6.8-7.0 HB3 ASP 65 - QG2 VAL 25 far 0 80 0 - 7.2-7.8 HB3 ASP 65 - QD1 LEU 51 far 0 99 0 - 7.5-8.4 HB3 ASP 65 - QD1 LEU 12 far 0 91 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10909 from cnoeabs.peaks (3.38, 0.86, 23.70 ppm; 4.79 A): 0 out of 7 assignments used, quality = 0.00: HB3 TRP 48 - QD1 LEU 12 far 0 93 0 - 5.9-7.3 HB3 PHE 40 - QD1 LEU 51 far 0 99 0 - 6.5-6.8 HA ILE 77 - QD1 LEU 12 far 0 91 0 - 7.0-7.3 HB3 TRP 48 - QD1 LEU 51 far 0 100 0 - 7.2-7.5 HB3 PHE 40 - QD1 LEU 12 far 0 92 0 - 7.6-7.8 HB3 TRP 48 - QG2 VAL 25 far 0 82 0 - 7.6-8.3 HB3 PHE 40 - QG2 VAL 25 far 0 80 0 - 8.0-8.3 Violated in 20 structures by 0.47 A. Peak 10910 from cnoeabs.peaks (3.40, 0.48, 25.53 ppm; 5.70 A increased from 5.06 A): 1 out of 3 assignments used, quality = 1.00: HB3 TRP 48 + QD2 LEU 51 OK 100 100 100 100 4.8-5.5 3.0/9405=93...(10) HB3 PHE 40 - QD2 LEU 51 poor 20 100 20 - 6.2-6.7 HA ILE 77 - QD2 LEU 51 far 0 100 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 10911 from cnoeabs.peaks (0.97, 0.48, 25.53 ppm; 4.11 A increased from 3.46 A): 2 out of 7 assignments used, quality = 0.99: QG1 VAL 25 + QD2 LEU 51 OK 95 100 100 96 3.8-4.1 8948=51, 680/2.1=44...(11) QG2 THR 37 + QD2 LEU 51 OK 69 79 95 92 4.4-4.7 ~9193=43, 10427/3.9=38...(9) HG3 LYS 52 - QD2 LEU 51 far 0 81 0 - 4.7-6.9 QG1 VAL 76 - QD2 LEU 51 far 0 82 0 - 6.7-7.1 QG2 THR 74 - QD2 LEU 51 far 0 100 0 - 6.9-7.1 QG1 VAL 14 - QD2 LEU 51 far 0 92 0 - 7.0-7.6 HB2 LEU 15 - QD2 LEU 51 far 0 99 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 10912 from cnoeabs.peaks (2.87, 3.71, 57.04 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 58 + HA LEU 55 OK 100 100 100 100 3.5-4.4 3.0/9565=94...(16) HD3 ARG 66 + HA LEU 55 OK 39 65 60 100 4.6-7.3 9526/9527=49, ~9714=46...(19) Violated in 0 structures by 0.00 A. Peak 10913 from cnoeabs.peaks (0.10, 1.74, 25.56 ppm; 5.37 A): 2 out of 3 assignments used, quality = 0.90: QD1 ILE 61 + HG LEU 55 OK 70 100 70 100 5.5-6.1 9511/2.1=89, 8351/2.1=78...(19) QB ALA 22 + HG12 ILE 23 OK 65 66 100 100 5.2-5.4 3.7/6286=71, ~8910=63...(9) QD1 LEU 15 - HG12 ILE 23 far 0 75 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 10914 from cnoeabs.peaks (0.00, 7.19, 127.30 ppm; 5.78 A): 1 out of 2 assignments used, quality = 0.61: HG12 ILE 61 + HD1 TRP 60 OK 61 61 100 100 4.1-5.8 2.1/9603=92, ~9601=78...(9) HG13 ILE 61 - HD1 TRP 60 poor 14 69 20 - 5.4-6.6 Violated in 1 structures by 0.00 A. Peak 10915 from cnoeabs.peaks (2.93, 7.30, 120.80 ppm; 5.63 A): 2 out of 4 assignments used, quality = 0.84: HB2 TRP 60 + HE3 TRP 60 OK 70 70 100 100 4.1-4.1 4.2=100 HE2 LYS 52 + HE3 TRP 48 OK 48 48 100 100 3.8-4.7 9440/2.5=95, 9439/4.3=81...(16) HD3 ARG 66 - HE3 TRP 48 far 0 38 0 - 9.6-11.8 HD3 ARG 66 - HE3 TRP 60 far 0 84 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 10916 from cnoeabs.peaks (2.26, 7.30, 120.80 ppm; 5.64 A): 2 out of 2 assignments used, quality = 0.63: HB3 GLN 49 + HE3 TRP 48 OK 51 51 100 100 3.3-3.7 9367/9352=79, 9359=71...(5) HG2 GLN 49 + HE3 TRP 48 OK 24 25 100 98 5.6-6.0 4.9/9352=67, 4.0/8316=61...(4) Violated in 0 structures by 0.00 A. Peak 10917 from cnoeabs.peaks (0.07, 7.30, 120.80 ppm; 6.00 A): 3 out of 3 assignments used, quality = 0.97: QD1 ILE 61 + HE3 TRP 60 OK 81 81 100 100 3.1-3.4 9601/5.3=66...(10) HG12 ILE 61 + HE3 TRP 60 OK 64 70 100 92 5.4-6.4 3.8/10891=65...(5) HG13 ILE 61 + HE3 TRP 60 OK 57 61 100 93 5.6-6.5 3.8/10891=65...(6) Violated in 0 structures by 0.00 A. Peak 10919 from cnoeabs.peaks (0.79, 1.71, 29.68 ppm; 5.69 A): 4 out of 7 assignments used, quality = 1.00: QD1 ILE 67 + HB3 ARG 66 OK 99 99 100 100 2.2-4.2 11166/2.9=99...(10) QG2 VAL 69 + HB3 ARG 66 OK 98 98 100 100 3.9-4.3 8455/3.0=95, ~8454=74...(13) HB3 LEU 55 + HB3 ARG 66 OK 88 88 100 100 3.2-5.0 8420/3.0=45, 3.1/9708=45...(38) QD2 LEU 36 + HB3 ARG 66 OK 50 100 85 58 5.7-7.2 8248/9709=34...(4) HG2 LYS 52 - HB3 ARG 66 far 5 100 5 - 5.2-9.0 QD1 ILE 23 - HB3 ARG 66 far 0 61 0 - 9.2-10.5 QD1 ILE 11 - HB3 ARG 66 far 0 84 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 10920 from cnoeabs.peaks (0.78, 1.59, 29.68 ppm; 5.13 A): 8 out of 14 assignments used, quality = 1.00: QG2 VAL 69 + HB2 ARG 66 OK 100 100 100 100 3.5-3.6 8455/3.0=91, ~8454=62...(16) HB3 LEU 55 + HB2 ARG 66 OK 98 98 100 100 2.7-3.3 1673=46, 8420/3.0=43...(38) QD1 ILE 67 + HB2 ARG 66 OK 93 93 100 100 3.8-4.2 11166/2.9=91...(10) QG2 ILE 23 + HG13 ILE 77 OK 65 65 100 100 2.1-2.4 ~8546=67, 8141/8868=55...(15) QD2 LEU 36 + HB3 LYS 58 OK 63 63 100 100 4.5-4.9 8374/8377=87...(13) HB3 LEU 55 + HB3 LYS 58 OK 58 60 100 98 4.5-5.3 3.0/2032=83, ~9563=43...(10) QD1 ILE 23 + HG13 ILE 77 OK 56 56 100 100 3.4-3.6 8546/2.1=81, ~8513=60...(12) QD2 LEU 36 + HB2 ARG 66 OK 40 99 90 45 5.4-5.8 8248/9706=21...(5) HG2 LYS 52 - HB2 ARG 66 far 15 99 15 - 4.9-7.3 QG2 VAL 69 - HB3 LYS 58 far 0 64 0 - 8.3-8.9 QD1 ILE 23 - HB2 ARG 66 far 0 81 0 - 8.7-9.2 QG2 VAL 69 - HG13 ILE 77 far 0 78 0 - 9.2-9.4 QD1 ILE 67 - HB3 LYS 58 far 0 55 0 - 9.6-10.4 QD1 ILE 11 - HB2 ARG 66 far 0 96 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 10921 from cnoeabs.peaks (0.85, 3.86, 65.82 ppm; 3.24 A): 3 out of 7 assignments used, quality = 0.90: QG1 VAL 69 + HA VAL 69 OK 61 61 100 100 2.4-2.4 3.2=100 QG2 VAL 25 + HA VAL 69 OK 53 100 100 53 3.7-3.8 11167/3.0=18...(7) QD1 LEU 12 + HA VAL 69 OK 45 99 50 92 3.8-4.0 8775/2174=35...(15) QG2 ILE 11 - HA VAL 69 far 0 100 0 - 5.2-5.4 QG2 VAL 102 - HA VAL 69 far 0 96 0 - 5.4-5.6 QD1 LEU 51 - HA VAL 69 far 0 100 0 - 5.7-5.9 QG1 VAL 103 - HA VAL 69 far 0 95 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 10922 from cnoeabs.peaks (2.37, 4.18, 58.89 ppm; 3.85 A increased from 3.62 A): 1 out of 2 assignments used, quality = 0.99: HG2 GLU 75 + HA GLN 72 OK 99 100 100 99 2.4-3.7 9942=85, 1.8/9943=75...(6) HB2 GLU 101 - HA GLN 72 far 0 96 0 - 5.4-5.6 Violated in 0 structures by 0.00 A. Peak 10923 from cnoeabs.peaks (2.60, 4.18, 58.89 ppm; 3.25 A): 2 out of 2 assignments used, quality = 0.92: HG3 GLU 75 + HA GLN 72 OK 74 99 80 94 2.4-4.1 9943=59, 1.8/10922=53...(6) HG3 GLN 72 + HA GLN 72 OK 68 70 100 98 3.5-3.6 4.1=50, 7000/2.9=38...(16) Violated in 4 structures by 0.02 A. Peak 10926 from cnoeabs.peaks (6.90, 2.27, 29.55 ppm; 4.52 A): 2 out of 7 assignments used, quality = 0.90: HZ PHE 99 + HB2 GLU 75 OK 68 69 100 98 3.7-4.7 ~9945=39, 2.2/10499=33...(16) HZ PHE 99 + HB3 GLU 75 OK 68 70 100 97 3.3-4.0 ~9945=39, 2.2/10499=33...(17) HE22 GLN 19 - HB2 GLN 19 poor 19 42 45 - 3.2-5.3 HH2 TRP 80 - HB2 GLN 19 far 0 65 0 - 5.6-7.1 QD PHE 41 - HB2 GLN 19 far 0 79 0 - 6.1-8.0 H LEU 17 - HB2 GLN 19 far 0 62 0 - 7.9-8.6 HZ PHE 99 - HB3 GLN 72 far 0 55 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 10927 from cnoeabs.peaks (0.80, 0.29, 21.33 ppm; 3.01 A): 2 out of 13 assignments used, quality = 0.77: QD2 LEU 36 + QD2 LEU 55 OK 60 62 100 96 1.7-1.7 8248=79, 2.1/8250=32...(16) HB3 LEU 55 + QD2 LEU 55 OK 43 45 100 96 2.4-2.4 3.1=88, 6704/4.5=19...(14) QG2 VAL 69 - QD2 LEU 55 poor 19 55 40 84 3.4-3.7 8450/2.1=38, ~8451=29...(11) QG2 ILE 23 - QG2 VAL 76 far 0 100 0 - 4.5-4.7 QD1 ILE 11 - QD2 LEU 55 far 0 41 0 - 6.0-7.7 HG2 LYS 52 - QD2 LEU 55 far 0 63 0 - 6.6-7.2 QD1 ILE 67 - QD2 LEU 55 far 0 62 0 - 6.9-7.3 QG2 VAL 69 - QG2 VAL 76 far 0 95 0 - 8.0-8.1 QG2 ILE 90 - QG2 VAL 76 far 0 96 0 - 8.4-9.5 QG2 ILE 23 - QD2 LEU 55 far 0 62 0 - 8.6-8.9 QG2 ILE 28 - QD2 LEU 55 far 0 58 0 - 8.8-9.0 QD1 ILE 11 - QG2 VAL 76 far 0 77 0 - 9.2-9.5 QD1 LEU 17 - QG2 VAL 76 far 0 57 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 10928 from cnoeabs.peaks (1.13, 0.29, 21.33 ppm; 4.77 A): 4 out of 14 assignments used, quality = 1.00: HB VAL 14 + QG2 VAL 76 OK 100 100 100 100 3.5-3.8 2.1/10854=99...(13) HG LEU 51 + QD2 LEU 55 OK 53 54 100 99 4.4-4.8 2.1/8071=82, ~10289=42...(12) QD1 LEU 36 + QD2 LEU 55 OK 52 53 100 100 3.3-3.4 2.1/8248=79, 8250=58...(14) HD3 LYS 98 + QG2 VAL 76 OK 20 96 30 71 4.7-6.9 10148/10168=59...(4) HG3 ARG 66 - QD2 LEU 55 far 9 63 15 - 4.9-6.8 HB2 LEU 51 - QD2 LEU 55 far 2 46 5 - 5.2-6.3 HB2 LYS 98 - QG2 VAL 76 far 0 95 0 - 5.9-7.0 HG3 LYS 13 - QD2 LEU 55 far 0 54 0 - 7.8-9.6 HG2 LYS 13 - QD2 LEU 55 far 0 54 0 - 7.8-9.5 HD3 LYS 52 - QD2 LEU 55 far 0 44 0 - 8.0-8.8 HG2 LYS 13 - QG2 VAL 76 far 0 93 0 - 8.2-8.6 HG3 LYS 13 - QG2 VAL 76 far 0 93 0 - 8.4-9.5 HB2 LEU 51 - QG2 VAL 76 far 0 84 0 - 9.5-9.8 HG LEU 51 - QG2 VAL 76 far 0 93 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 10929 from cnoeabs.peaks (0.80, 0.94, 21.61 ppm; 3.41 A increased from 2.88 A): 2 out of 14 assignments used, quality = 0.97: QG2 ILE 23 + QG1 VAL 76 OK 92 100 100 92 3.1-3.3 11149/8500=61, 764=30...(10) QG2 VAL 102 + QG1 VAL 76 OK 61 65 100 94 3.7-3.9 10211/2.1=48, ~8505=45...(12) QG2 VAL 102 - QG2 THR 74 far 0 53 0 - 6.4-6.7 QG2 ILE 23 - QG2 THR 74 far 0 90 0 - 6.7-7.0 QD1 LEU 17 - QG1 VAL 76 far 0 71 0 - 7.4-8.1 QG2 VAL 69 - QG2 THR 74 far 0 73 0 - 7.8-7.9 QD1 ILE 67 - QG2 THR 74 far 0 90 0 - 7.8-8.1 QG2 ILE 90 - QG1 VAL 76 far 0 90 0 - 8.1-9.0 HG LEU 15 - QG1 VAL 76 far 0 61 0 - 8.3-8.5 QD2 LEU 17 - QG1 VAL 76 far 0 57 0 - 8.5-8.8 HG2 LYS 52 - QG2 THR 74 far 0 87 0 - 8.5-10.8 QG2 VAL 69 - QG1 VAL 76 far 0 87 0 - 8.9-9.0 QD1 LEU 109 - QG1 VAL 76 far 0 61 0 - 9.4-15.3 HB2 LYS 84 - QG1 VAL 76 far 0 68 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 10930 from cnoeabs.peaks (1.14, 0.94, 21.61 ppm; 3.29 A increased from 3.10 A): 1 out of 11 assignments used, quality = 0.91: HB VAL 14 + QG1 VAL 76 OK 91 94 100 96 3.1-3.3 2.1/356=39, ~10854=36...(15) HD3 LYS 98 - QG1 VAL 76 far 0 82 0 - 6.3-8.0 HB2 LYS 98 - QG1 VAL 76 far 0 100 0 - 6.8-8.4 HD3 LYS 52 - QG2 THR 74 far 0 82 0 - 7.9-9.4 HG2 LYS 13 - QG1 VAL 76 far 0 99 0 - 8.6-8.9 HG3 LYS 13 - QG1 VAL 76 far 0 99 0 - 8.8-9.6 HD3 LYS 98 - QG2 THR 74 far 0 69 0 - 9.0-10.9 HB2 LEU 51 - QG2 THR 74 far 0 52 0 - 9.0-10.2 HB2 LEU 51 - QG1 VAL 76 far 0 63 0 - 9.1-9.4 HG LEU 51 - QG2 THR 74 far 0 64 0 - 9.2-9.5 HG LEU 51 - QG1 VAL 76 far 0 77 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10931 from cnoeabs.peaks (0.94, 3.65, 64.29 ppm; 5.04 A): 2 out of 4 assignments used, quality = 1.00: HG13 ILE 28 + HB2 SER 9 OK 99 99 100 100 3.7-4.4 2.1/8040=100...(22) HG13 ILE 28 + HB3 SER 9 OK 99 99 100 100 4.0-5.6 ~8040=82, ~9039=50...(20) QG1 VAL 25 - HB2 SER 9 far 0 77 0 - 7.1-8.2 QG1 VAL 25 - HB3 SER 9 far 0 77 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 10932 from cnoeabs.peaks (1.26, 3.65, 64.29 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: HG12 ILE 28 + HB2 SER 9 OK 100 100 100 100 2.1-3.4 2.1/8040=97...(22) HG12 ILE 28 + HB3 SER 9 OK 100 100 100 100 2.4-4.2 ~8040=74, 9039/3.0=59...(20) Violated in 0 structures by 0.00 A. Peak 10933 from cnoeabs.peaks (-0.03, 0.66, 13.00 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 95 + QD1 ILE 90 OK 99 99 100 100 1.9-3.3 10124=98, 2.1/8522=79...(10) HB VAL 21 - QD1 ILE 90 far 0 98 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 10934 from cnoeabs.peaks (7.47, -0.02, 15.59 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.86: HZ2 TRP 16 + QB ALA 95 OK 75 100 95 79 2.9-5.3 10686/10124=55...(5) HZ3 TRP 16 + QB ALA 95 OK 44 77 100 57 2.8-3.7 2.5/10129=22...(5) Violated in 0 structures by 0.00 A. Peak 10935 from cnoeabs.peaks (4.01, 2.20, 34.24 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 93 + HG3 GLN 96 OK 100 100 100 100 2.5-4.1 2583/3.0=99, 2582/3.0=93...(9) HA2 GLY 106 - HG3 GLN 96 far 10 100 10 - 6.4-9.6 Violated in 0 structures by 0.00 A. Peak 10936 from cnoeabs.peaks (7.79, 3.12, 39.70 ppm; 5.48 A): 1 out of 2 assignments used, quality = 0.84: H VAL 102 + HB3 PHE 99 OK 84 84 100 100 2.9-3.6 4.0/10216=81...(8) H GLN 72 - HB3 PHE 99 far 0 91 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 10937 from cnoeabs.peaks (7.77, 3.02, 39.70 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: H VAL 102 + HB2 PHE 99 OK 100 100 100 100 3.5-4.1 2889/10712=93...(6) H GLN 72 - HB2 PHE 99 far 0 100 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 10938 from cnoeabs.peaks (6.84, 0.84, 25.77 ppm; 4.36 A): 1 out of 5 assignments used, quality = 0.97: HZ PHE 41 + QD1 LEU 17 OK 97 98 100 99 2.3-3.8 2.2/11146=78, ~10830=50...(11) HD1 TRP 42 - QD1 LEU 17 far 0 96 0 - 5.1-6.2 HZ2 TRP 80 - QD1 LEU 17 far 0 68 0 - 5.3-6.0 HH2 TRP 80 - QD1 LEU 17 far 0 71 0 - 6.3-7.4 HZ PHE 41 - HG LEU 15 far 0 97 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 10939 from cnoeabs.peaks (7.20, 3.65, 64.29 ppm; 4.57 A): 0 out of 4 assignments used, quality = 0.00: HZ3 TRP 60 - HB2 SER 9 far 0 91 0 - 7.1-7.6 HZ3 TRP 60 - HB3 SER 9 far 0 91 0 - 7.4-7.7 HE21 GLN 27 - HB2 SER 9 far 0 85 0 - 7.8-8.4 HE21 GLN 27 - HB3 SER 9 far 0 85 0 - 8.6-9.2 Violated in 20 structures by 1.72 A. Peak 10941 from cnoeabs.peaks (5.31, 5.05, 63.35 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 26 + HA PRO 35 OK 100 100 100 100 2.9-3.0 8549=100, 8547/3.6=50...(8) HA PHE 10 - HA PRO 35 far 0 99 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 10944 from cnoeabs.peaks (4.97, 2.06, 27.30 ppm; 4.50 A increased from 3.79 A): 1 out of 1 assignment used, quality = 1.00: HA SER 34 + HG2 PRO 35 OK 100 100 100 100 4.4-4.4 958/2.3=99, 959/2.3=96...(4) Violated in 0 structures by 0.00 A. Peak 10945 from cnoeabs.peaks (4.97, 1.90, 27.30 ppm; 4.62 A increased from 3.70 A): 1 out of 1 assignment used, quality = 1.00: HA SER 34 + HG3 PRO 35 OK 100 100 100 100 4.4-4.4 958/2.3=100, 959/2.3=98...(4) Violated in 0 structures by 0.00 A. Peak 10946 from cnoeabs.peaks (1.76, 5.05, 63.35 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HB3 PRO 35 + HA PRO 35 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 LEU 36 + HA PRO 35 OK 80 98 100 82 4.8-4.9 6450/8268=57...(4) Violated in 0 structures by 0.00 A. Peak 10947 from cnoeabs.peaks (3.67, 5.05, 63.35 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.88: HD2 PRO 35 + HA PRO 35 OK 88 88 100 100 4.1-4.1 3.6=100 HB3 SER 34 - HA PRO 35 far 0 92 0 - 5.5-6.2 HB3 SER 38 - HA PRO 35 far 0 81 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 10948 from cnoeabs.peaks (9.26, 5.05, 63.35 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.96: H LEU 36 + HA PRO 35 OK 96 96 100 100 2.2-2.3 3.6=100 Violated in 0 structures by 0.00 A. Peak 10949 from cnoeabs.peaks (1.62, 3.86, 49.50 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.90: HB3 PRO 43 + HD3 PRO 43 OK 90 90 100 100 3.0-3.9 3.0=100 HB2 ARG 44 - HD3 PRO 43 far 5 100 5 - 5.3-7.5 Violated in 0 structures by 0.00 A. Peak 10950 from cnoeabs.peaks (2.59, 2.28, 36.59 ppm; 3.87 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLU 75 - HG3 GLU 101 far 0 100 0 - 5.8-7.5 HG3 GLU 75 - HG2 GLU 101 far 0 100 0 - 7.5-9.1 Violated in 20 structures by 2.15 A. Peak 10951 from cnoeabs.peaks (6.77, 1.83, 29.77 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.99: HE21 GLN 86 + HB3 GLN 86 OK 99 99 100 100 3.8-4.0 4.6=100 HE21 GLN 89 - HB3 GLN 86 far 0 73 0 - 5.4-11.5 Violated in 0 structures by 0.00 A. Peak 10960 from cnoeabs.peaks (7.63, 3.70, 57.28 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.94: HE22 GLN 96 + HA GLN 96 OK 94 98 100 96 1.9-3.9 10957=68, 10959/10696=32...(10) H GLU 54 - HA LEU 55 far 0 86 0 - 5.3-5.5 H GLU 94 - HA GLN 96 far 0 93 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 10961 from cnoeabs.peaks (6.77, 7.48, 40.25 ppm; 2.48 A): 0 out of 0 assignments used, quality = 0.00: Peak 10962 from cnoeabs.peaks (7.48, 6.76, 40.25 ppm; 2.51 A): 0 out of 0 assignments used, quality = 0.00: Peak 10963 from cnoeabs.peaks (7.17, 2.27, 34.24 ppm; 4.80 A): 1 out of 7 assignments used, quality = 1.00: QD PHE 104 + HG2 GLN 96 OK 100 100 100 100 1.9-2.7 10964/1.8=72...(12) HD21 ASN 85 - HG2 GLN 86 poor 17 49 45 78 3.2-7.3 ~10013=34, ~10644=32...(6) HD1 TRP 16 - HG3 GLN 89 far 0 59 0 - 7.0-10.8 HD1 TRP 16 - HG2 GLN 89 far 0 72 0 - 7.6-11.4 HD1 TRP 16 - HG2 GLN 96 far 0 93 0 - 8.4-10.3 QD PHE 104 - HG2 GLN 72 far 0 70 0 - 8.9-9.6 HD21 ASN 85 - HG3 GLN 89 far 0 36 0 - 9.9-15.9 Violated in 0 structures by 0.00 A. Peak 10964 from cnoeabs.peaks (7.18, 2.20, 34.24 ppm; 5.10 A): 1 out of 4 assignments used, quality = 1.00: QD PHE 104 + HG3 GLN 96 OK 100 100 100 100 3.5-4.1 2.2/10965=75...(10) HD1 TRP 16 - HG3 GLN 89 far 0 44 0 - 7.0-10.8 HD1 TRP 16 - HG3 GLN 96 far 0 88 0 - 8.3-11.1 HD21 ASN 85 - HG3 GLN 89 far 0 33 0 - 9.9-15.9 Violated in 0 structures by 0.00 A. Peak 10965 from cnoeabs.peaks (7.29, 2.20, 34.24 ppm; 5.17 A increased from 4.87 A): 1 out of 8 assignments used, quality = 0.87: QE PHE 104 + HG3 GLN 96 OK 87 87 100 100 5.0-5.2 2.2/10964=78...(12) H PHE 99 - HG3 GLN 96 far 0 77 0 - 6.9-7.7 QD PHE 99 - HG3 GLN 96 far 0 97 0 - 8.1-9.0 HE22 GLN 86 - HG3 GLN 89 far 0 51 0 - 8.2-11.8 H ASN 20 - HG3 GLN 89 far 0 43 0 - 9.0-13.4 QE PHE 79 - HG3 GLN 89 far 0 48 0 - 9.1-11.0 QE PHE 79 - HG3 GLN 96 far 0 93 0 - 9.1-11.0 HZ PHE 79 - HG3 GLN 89 far 0 28 0 - 9.4-11.5 Violated in 3 structures by 0.01 A. Peak 10972 from cnoeabs.peaks (7.04, 2.35, 29.35 ppm; 5.77 A): 2 out of 6 assignments used, quality = 0.99: HE21 GLN 81 + HB2 GLN 81 OK 98 98 100 100 1.9-4.8 4.6=100 HE22 GLN 72 + HB2 GLU 101 OK 69 87 100 80 2.6-3.0 ~9483=42, ~10708=31...(5) HD21 ASN 68 - HB2 GLU 101 lone 2 94 100 2 4.7-5.2 QE PHE 99 - HB2 GLU 101 far 0 98 0 - 8.0-8.8 QE PHE 99 - HB2 GLN 81 far 0 98 0 - 8.9-10.3 QD PHE 10 - HB2 GLU 101 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (7.31, 2.50, 34.23 ppm; 3.76 A): 3 out of 11 assignments used, quality = 0.95: HE22 GLN 81 + HG3 GLN 81 OK 82 82 100 100 2.3-4.1 3.5=100 HE22 GLN 86 + HG3 GLN 86 OK 64 64 100 100 2.3-2.5 3.5=100 HE3 TRP 80 + HG3 GLN 81 OK 24 100 30 81 3.9-5.2 10659/3.7=31...(6) HH2 TRP 42 - HG3 GLN 81 far 0 77 0 - 4.9-7.7 QE PHE 79 - HG3 GLN 86 far 0 97 0 - 5.7-7.0 HZ3 TRP 42 - HG3 GLN 81 far 0 77 0 - 7.2-10.0 HE22 GLN 86 - HG3 GLN 81 far 0 69 0 - 7.3-10.6 HE22 GLN 81 - HG3 GLN 86 far 0 76 0 - 7.3-11.5 QE PHE 79 - HG3 GLN 81 far 0 100 0 - 7.8-10.8 H ASN 20 - HG3 GLN 81 far 0 100 0 - 9.6-11.4 HE3 TRP 80 - HG3 GLN 86 far 0 96 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10980 from cnoeabs.peaks (7.53, 3.77, 62.23 ppm; 4.15 A): 1 out of 4 assignments used, quality = 0.98: * H LEU 83 + HA TRP 80 OK 98 100 100 98 3.3-3.7 10589/10580=58...(9) H GLN 86 - HA TRP 80 far 0 65 0 - 7.9-8.4 H ALA 95 - HA TRP 80 far 0 98 0 - 7.9-9.0 HZ2 TRP 42 - HA TRP 80 far 0 96 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 10981 from cnoeabs.peaks (7.38, 3.47, 28.94 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.83: HH2 TRP 16 + HB3 TRP 80 OK 83 85 100 97 4.4-5.2 11037/7165=71...(6) Violated in 0 structures by 0.00 A. Peak 10983 from cnoeabs.peaks (3.47, 7.35, 124.14 ppm; 5.90 A): 2 out of 2 assignments used, quality = 1.00: HB3 TRP 80 + HH2 TRP 16 OK 100 100 100 100 4.4-5.2 3.0/10008=99...(7) HA ALA 95 + HH2 TRP 16 OK 73 100 100 73 4.6-5.9 ~10934=47...(3) Violated in 0 structures by 0.00 A. Peak 10984 from cnoeabs.peaks (6.94, 0.29, 21.33 ppm; 4.01 A): 1 out of 5 assignments used, quality = 0.99: HZ PHE 99 + QG2 VAL 76 OK 99 100 100 99 3.4-4.0 3.8/10168=48...(14) H ILE 61 - QD2 LEU 55 far 0 35 0 - 6.3-6.8 HE21 GLN 72 - QG2 VAL 76 far 0 92 0 - 7.2-7.4 H LEU 17 - QG2 VAL 76 far 0 96 0 - 8.4-9.0 HE21 GLN 72 - QD2 LEU 55 far 0 53 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 10985 from cnoeabs.peaks (6.95, 0.94, 21.61 ppm; 4.98 A increased from 4.69 A): 1 out of 7 assignments used, quality = 0.96: HZ PHE 99 + QG1 VAL 76 OK 96 96 100 100 4.7-5.0 10984/2.1=91...(15) H LEU 17 - QG1 VAL 76 far 0 85 0 - 6.3-6.8 HZ PHE 99 - QG2 THR 74 far 0 84 0 - 6.5-7.3 HZ3 TRP 48 - QG2 THR 74 far 0 88 0 - 7.0-7.9 HE21 GLN 72 - QG2 THR 74 far 0 87 0 - 9.0-9.4 HE21 GLN 72 - QG1 VAL 76 far 0 99 0 - 9.4-9.6 QE PHE 41 - QG1 VAL 76 far 0 92 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10986 from cnoeabs.peaks (4.73, 7.68, 119.93 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.93: HA TRP 16 + HE3 TRP 16 OK 93 93 100 100 2.0-3.3 4.8=100 HA PHE 79 - HE3 TRP 16 far 0 98 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10987 from cnoeabs.peaks (0.64, 7.47, 115.68 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.93: QD1 ILE 90 + HZ2 TRP 16 OK 79 86 100 92 2.2-4.4 10686=85, 10933/10934=28 QD1 LEU 83 + HZ2 TRP 16 OK 66 67 100 99 1.9-2.0 2.1/10588=87...(7) Violated in 0 structures by 0.00 A. Peak 10988 from cnoeabs.peaks (4.72, 0.70, 22.15 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.79: HA TRP 16 + QG2 VAL 21 OK 79 99 100 79 2.9-3.8 3.6/10865=44...(5) HA PHE 79 - QG2 VAL 21 far 0 90 0 - 7.4-7.8 HA LEU 12 - QG2 VAL 21 far 0 71 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 10989 from cnoeabs.peaks (7.29, -0.33, 14.52 ppm; 6.00 A): 2 out of 8 assignments used, quality = 1.00: HH2 TRP 42 + QG2 ILE 77 OK 97 97 100 100 3.2-3.5 2.5/9966=90...(8) HE3 TRP 80 + QG2 ILE 77 OK 93 99 100 94 3.4-3.8 8875/9972=81...(4) HE3 TRP 48 - QG2 ILE 77 far 0 94 0 - 6.8-7.6 QD PHE 99 - QG2 ILE 77 far 0 99 0 - 8.3-8.6 QE PHE 79 - QG2 ILE 77 far 0 96 0 - 8.6-9.2 QE PHE 104 - QG2 ILE 77 far 0 91 0 - 8.7-9.3 H ASN 20 - QG2 ILE 77 far 0 91 0 - 8.7-9.0 HZ2 TRP 48 - QG2 ILE 77 far 0 77 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 10992 from cnoeabs.peaks (7.75, 7.39, 22.20 ppm; 4.25 A): 0 out of 0 assignments used, quality = 0.00: Peak 10995 from cnoeabs.peaks (4.53, 2.95, 30.74 ppm; 2.67 A): 0 out of 0 assignments used, quality = 0.00: Peak 10996 from cnoeabs.peaks (4.53, 2.90, 30.74 ppm; 2.91 A): 0 out of 0 assignments used, quality = 0.00: Peak 10998 from cnoeabs.peaks (7.85, 2.95, 30.74 ppm; 3.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 11000 from cnoeabs.peaks (9.26, 2.06, 27.30 ppm; 5.92 A increased from 5.26 A): 1 out of 1 assignment used, quality = 0.89: H LEU 36 + HG2 PRO 35 OK 89 96 100 93 5.7-5.8 11003/1.8=92 Violated in 0 structures by 0.00 A. Peak 11001 from cnoeabs.peaks (9.21, 1.76, 31.95 ppm; 5.76 A increased from 4.85 A): 1 out of 1 assignment used, quality = 0.76: H GLN 27 + HB3 PRO 35 OK 76 79 100 97 5.7-5.7 11002/1.8=79...(4) Violated in 0 structures by 0.00 A. Peak 11002 from cnoeabs.peaks (9.19, 2.18, 31.95 ppm; 5.77 A increased from 5.43 A): 1 out of 1 assignment used, quality = 0.90: H GLN 27 + HB2 PRO 35 OK 90 95 100 95 5.5-5.6 11001/1.8=79...(4) Violated in 0 structures by 0.00 A. Peak 11003 from cnoeabs.peaks (9.25, 1.90, 27.30 ppm; 5.28 A increased from 4.97 A): 1 out of 1 assignment used, quality = 0.58: H LEU 36 + HG3 PRO 35 OK 58 87 100 66 5.0-5.0 11000/1.8=66 Violated in 0 structures by 0.00 A. Peak 11004 from cnoeabs.peaks (1.10, 1.99, 32.06 ppm; 4.22 A): 2 out of 6 assignments used, quality = 0.74: QG2 THR 8 + HB3 GLN 27 OK 51 51 100 100 4.4-4.7 8031/1.8=83, 8032/3.0=63...(10) QG2 THR 8 + HB2 GLN 27 OK 48 48 100 100 3.3-3.6 8031=72, 8032/3.0=63...(11) QG2 THR 8 - HB2 LYS 31 far 0 79 0 - 7.5-8.1 HD3 LYS 98 - HB3 PRO 100 far 0 99 0 - 8.6-10.8 HG3 ARG 66 - HB2 GLN 27 far 0 42 0 - 8.8-11.6 HG3 ARG 66 - HB3 GLN 27 far 0 44 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 11005 from cnoeabs.peaks (0.68, 5.25, 59.81 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 28 + HA THR 33 OK 100 100 100 100 4.1-4.2 8180=94, 9104/941=92...(13) Violated in 0 structures by 0.00 A. Peak 11007 from cnoeabs.peaks (6.83, 2.80, 41.89 ppm; 4.10 A increased from 3.86 A): 1 out of 4 assignments used, quality = 0.71: HZ2 TRP 80 + HE3 LYS 84 OK 71 88 100 81 3.8-4.1 10902=28, ~10906=27...(10) HD1 TRP 42 - HE3 LYS 84 far 0 100 0 - 7.7-9.7 HD21 ASN 71 - HE3 LYS 52 far 0 80 0 - 8.4-12.3 HD21 ASN 87 - HE3 LYS 84 far 0 99 0 - 8.5-11.4 Violated in 2 structures by 0.00 A. Peak 11008 from cnoeabs.peaks (3.13, 0.77, 41.59 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.91: HA LYS 52 + HB3 LEU 55 OK 91 93 100 97 5.0-5.2 1501/6704=80...(6) Violated in 0 structures by 0.00 A. Peak 11009 from cnoeabs.peaks (0.04, 0.43, 25.67 ppm; 5.10 A): 2 out of 4 assignments used, quality = 1.00: HG13 ILE 61 + QD1 LEU 55 OK 100 100 100 100 3.4-4.8 2.1/9511=84, ~8351=73...(22) HG12 ILE 61 + QD1 LEU 55 OK 85 100 85 100 4.1-6.2 2.1/9511=84, ~8351=73...(21) HG13 ILE 61 - QD1 LEU 70 far 0 84 0 - 7.1-7.8 HG12 ILE 61 - QD1 LEU 70 far 0 85 0 - 7.2-9.0 Violated in 0 structures by 0.00 A. Peak 11010 from cnoeabs.peaks (2.89, 0.77, 41.59 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.99: HD3 ARG 66 + HB3 LEU 55 OK 96 96 100 100 2.8-5.8 1.8/9714=61, 3.4/1673=48...(35) HE2 LYS 58 + HB3 LEU 55 OK 85 85 100 100 5.8-6.5 ~1839=78, ~9565=60...(12) Violated in 0 structures by 0.00 A. Peak 11011 from cnoeabs.peaks (0.84, 1.74, 25.56 ppm; 3.55 A): 3 out of 14 assignments used, quality = 0.99: QD1 LEU 51 + HG LEU 55 OK 95 96 100 99 2.1-2.7 8071/2.1=84, 10289=53...(13) QD1 LEU 12 + HG12 ILE 23 OK 72 79 100 91 3.8-4.1 188/2.1=38, 8155/4.0=33...(11) QG2 ILE 23 + HG12 ILE 23 OK 40 40 100 100 3.2-3.2 3.2=100 QG2 VAL 25 - HG LEU 55 far 15 100 15 - 4.0-4.4 QD1 LEU 51 - HG12 ILE 23 far 0 73 0 - 4.3-4.8 QG2 VAL 25 - HG12 ILE 23 far 0 79 0 - 4.8-5.1 QD1 LEU 12 - HG LEU 55 far 0 100 0 - 6.5-7.1 QG2 VAL 102 - HG12 ILE 23 far 0 80 0 - 8.0-8.6 QG1 VAL 103 - HG12 ILE 23 far 0 56 0 - 8.4-10.1 QD1 LEU 17 - HG12 ILE 23 far 0 79 0 - 8.8-9.2 QG2 ILE 23 - HG LEU 55 far 0 59 0 - 9.7-9.9 QG2 ILE 11 - HG LEU 55 far 0 99 0 - 9.9-10.3 QG2 ILE 11 - HG12 ILE 23 far 0 77 0 - 10.0-10.2 HG LEU 15 - HG12 ILE 23 far 0 80 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 11012 from cnoeabs.peaks (1.00, 1.74, 25.56 ppm; 4.90 A): 2 out of 7 assignments used, quality = 1.00: QG2 THR 37 + HG LEU 55 OK 100 100 100 100 3.3-3.6 8258/2.1=100...(9) QG1 VAL 25 + HG LEU 55 OK 89 90 100 99 3.6-3.9 8947/2.1=67, ~8150=61...(14) HB3 GLN 50 - HG12 ILE 23 far 2 50 5 - 5.5-5.9 QG2 THR 37 - HG12 ILE 23 far 0 80 0 - 6.2-6.7 QG1 VAL 25 - HG12 ILE 23 far 0 66 0 - 6.9-7.2 HB3 GLN 50 - HG LEU 55 far 0 71 0 - 8.5-9.1 QG2 THR 74 - HG12 ILE 23 far 0 47 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 11013 from cnoeabs.peaks (0.32, 1.96, 29.33 ppm; 5.74 A): 4 out of 9 assignments used, quality = 1.00: QD2 LEU 55 + HB2 GLU 54 OK 98 99 100 100 2.2-2.7 6707/6698=94...(13) QG2 ILE 61 + HB3 GLU 63 OK 68 88 85 90 5.9-6.7 8393/9657=71...(3) QG2 VAL 76 + HB3 GLU 101 OK 51 81 100 63 5.2-5.6 10211/10684=30...(4) QG2 VAL 76 + HB2 GLN 72 OK 46 49 100 94 3.6-3.9 9961/3.0=71...(4) QG2 ILE 61 - HB2 GLU 54 far 5 94 5 - 6.3-6.8 HB2 LYS 58 - HB2 GLU 54 far 0 75 0 - 7.7-8.4 QG2 VAL 76 - HG13 ILE 90 far 0 83 0 - 8.6-9.5 QG2 VAL 76 - HB2 GLU 94 far 0 63 0 - 8.9-9.6 QG1 VAL 21 - HG13 ILE 90 far 0 98 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 11015 from cnoeabs.peaks (8.85, 2.04, 16.73 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.96: * H SER 105 + QE MET 92 OK 96 96 100 100 3.0-4.1 3.0/11022=84...(10) H LYS 13 - QE MET 92 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 11016 from cnoeabs.peaks (9.15, 2.04, 16.73 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.53: H TRP 16 + QE MET 92 OK 53 87 100 61 5.0-6.0 10733/11015=41...(3) Violated in 2 structures by 0.00 A. Peak 11017 from cnoeabs.peaks (8.65, 2.04, 16.73 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.97: H GLY 106 + QE MET 92 OK 85 97 100 88 3.3-4.9 3.6/11022=61...(6) H PHE 104 + QE MET 92 OK 81 87 100 93 3.7-4.5 4.5/11020=51...(6) Violated in 0 structures by 0.00 A. Peak 11018 from cnoeabs.peaks (8.29, 2.04, 16.73 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.90: H ALA 93 + QE MET 92 OK 90 98 100 92 4.0-4.5 2.9/11034=78, 3.0/11023=62 Violated in 0 structures by 0.00 A. Peak 11019 from cnoeabs.peaks (7.65, 2.04, 16.73 ppm; 4.77 A increased from 4.49 A): 1 out of 5 assignments used, quality = 0.90: HE22 GLN 96 + QE MET 92 OK 90 99 100 91 3.6-4.5 3.5/11029=79...(4) HD21 ASN 108 - QE MET 92 far 0 100 0 - 5.8-13.1 H GLU 94 - QE MET 92 far 0 100 0 - 5.9-6.6 HE3 TRP 16 - QE MET 92 far 0 73 0 - 6.3-7.2 QD PHE 79 - QE MET 92 far 0 61 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 11020 from cnoeabs.peaks (7.16, 2.04, 16.73 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.92: QD PHE 104 + QE MET 92 OK 92 99 100 94 3.2-4.0 2.5/11026=37...(9) HD1 TRP 16 - QE MET 92 far 0 100 0 - 6.0-8.2 Violated in 4 structures by 0.01 A. Peak 11021 from cnoeabs.peaks (5.26, 2.04, 16.73 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.96: HA PHE 104 + QE MET 92 OK 96 96 100 100 3.7-4.2 3.7/11020=91...(9) Violated in 0 structures by 0.00 A. Peak 11022 from cnoeabs.peaks (4.67, 2.04, 16.73 ppm; 4.20 A increased from 3.96 A): 1 out of 3 assignments used, quality = 0.81: HA SER 105 + QE MET 92 OK 81 100 100 81 3.0-4.1 3.0/11015=45...(6) HA ASN 108 - QE MET 92 far 0 87 0 - 8.0-10.1 HA ILE 90 - QE MET 92 far 0 96 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 11023 from cnoeabs.peaks (4.02, 2.04, 16.73 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.91: HA ALA 93 + QE MET 92 OK 88 100 100 88 3.5-3.9 2.1/11034=66...(3) HA2 GLY 106 + QE MET 92 OK 29 98 95 31 2.5-5.4 2.9/11017=30 Violated in 0 structures by 0.00 A. Peak 11024 from cnoeabs.peaks (3.82, 2.04, 16.73 ppm; 5.35 A increased from 4.50 A): 2 out of 4 assignments used, quality = 1.00: HB3 SER 105 + QE MET 92 OK 96 99 100 97 4.4-5.5 3.0/11022=86...(5) HB2 SER 105 + QE MET 92 OK 96 99 100 97 3.6-5.4 3.0/11022=86...(5) HB3 SER 107 - QE MET 92 far 4 84 5 - 5.8-10.0 HA LYS 98 - QE MET 92 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 11026 from cnoeabs.peaks (2.93, 2.04, 16.73 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.97: HB2 PHE 104 + QE MET 92 OK 83 100 100 83 1.9-2.7 2.5/11020=53...(7) HB3 PHE 104 + QE MET 92 OK 82 100 100 82 1.9-3.0 2.5/11020=53...(7) HB3 HIS 111 - QE MET 92 far 0 92 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 11027 from cnoeabs.peaks (2.49, 2.04, 16.73 ppm; 3.97 A): 0 out of 1 assignment used, quality = 0.00: HE3 LYS 13 - QE MET 92 far 0 100 0 - 7.1-9.9 Violated in 20 structures by 4.45 A. Peak 11028 from cnoeabs.peaks (2.35, 2.04, 16.73 ppm; 3.40 A): 0 out of 1 assignment used, quality = 0.00: HB3 LEU 17 - QE MET 92 far 0 99 0 - 9.8-11.0 Violated in 20 structures by 6.84 A. Peak 11029 from cnoeabs.peaks (2.21, 2.04, 16.73 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.55: HG3 GLN 96 + QE MET 92 OK 55 99 100 55 2.2-3.6 3.5/11019=32...(3) HB VAL 102 - QE MET 92 far 0 91 0 - 7.4-8.3 Violated in 2 structures by 0.00 A. Peak 11031 from cnoeabs.peaks (2.04, 2.04, 16.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 92 + QE MET 92 OK 100 100 - 100 Peak 11034 from cnoeabs.peaks (1.31, 2.04, 16.73 ppm; 4.56 A increased from 4.29 A): 1 out of 3 assignments used, quality = 0.82: QB ALA 93 + QE MET 92 OK 82 100 100 82 4.3-4.4 2.1/11023=60, 2.9/11018=55 HB2 LYS 13 - QE MET 92 far 0 100 0 - 7.4-9.5 HB3 LYS 98 - QE MET 92 far 0 100 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 11035 from cnoeabs.peaks (-0.04, 2.04, 16.73 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.33: QB ALA 95 + QE MET 92 OK 33 92 100 36 4.0-5.3 11231/11020=35 Violated in 0 structures by 0.00 A. Peak 11036 from cnoeabs.peaks (0.84, 2.04, 16.73 ppm; 3.68 A): 0 out of 9 assignments used, quality = 0.00: QG1 VAL 103 - QE MET 92 far 0 70 0 - 4.4-6.2 QD1 LEU 109 - QE MET 92 far 0 100 0 - 4.5-11.1 HG LEU 15 - QE MET 92 far 0 100 0 - 6.6-7.5 QG2 VAL 102 - QE MET 92 far 0 100 0 - 7.9-8.6 QD2 LEU 17 - QE MET 92 far 0 100 0 - 8.3-9.4 QG2 ILE 11 - QE MET 92 far 0 97 0 - 8.6-9.3 QD1 LEU 17 - QE MET 92 far 0 100 0 - 9.3-10.5 QG2 ILE 23 - QE MET 92 far 0 70 0 - 9.3-10.1 QD1 LEU 12 - QE MET 92 far 0 99 0 - 9.7-10.6 Violated in 20 structures by 1.00 A. Peak 11038 from cnoeabs.peaks (7.33, 0.34, 15.66 ppm; 4.08 A increased from 3.84 A): 1 out of 3 assignments used, quality = 0.98: HZ PHE 10 + QG2 ILE 61 OK 98 99 100 99 2.6-4.2 2.2/8383=76...(15) HE3 TRP 60 - QG2 ILE 61 far 0 77 0 - 5.0-6.0 HZ2 TRP 48 - QG2 ILE 61 far 0 99 0 - 9.5-10.5 Violated in 1 structures by 0.00 A. Peak 11039 from cnoeabs.peaks (0.32, 7.25, 130.98 ppm; 5.98 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 55 + QE PHE 10 OK 98 98 100 100 3.3-3.6 11255=81, 8248/8733=70...(16) QG2 ILE 61 + QE PHE 10 OK 94 94 100 100 2.6-4.0 11038/2.2=96, 8383=95...(21) HB2 LYS 58 + QE PHE 10 OK 77 77 100 99 5.5-6.2 1.8/9570=80, 3.6/9573=77...(6) Violated in 0 structures by 0.00 A. Peak 11040 from cnoeabs.peaks (0.08, 7.25, 130.98 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.94: QD1 ILE 61 + QE PHE 10 OK 94 94 100 100 1.9-2.3 3.3/8383=97...(26) Violated in 0 structures by 0.00 A. Peak 11041 from cnoeabs.peaks (0.09, 7.04, 131.14 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 61 + QD PHE 10 OK 100 100 100 100 3.8-4.1 8249/8238=99...(15) Violated in 0 structures by 0.00 A. Peak 11042 from cnoeabs.peaks (0.32, 7.04, 131.14 ppm; 5.25 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 55 + QD PHE 10 OK 99 99 100 100 2.9-3.2 8248/8238=96...(16) QG2 ILE 61 + QD PHE 10 OK 96 96 100 100 3.5-4.7 8383/2.2=94...(14) HB2 LYS 58 - QD PHE 10 far 0 80 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 11044 from cnoeabs.peaks (0.33, 7.32, 130.07 ppm; 6.00 A): 3 out of 3 assignments used, quality = 1.00: QG2 ILE 61 + HZ PHE 10 OK 100 100 100 100 2.6-4.2 8383/2.2=100, 11038=99...(15) QD2 LEU 55 + HZ PHE 10 OK 95 100 100 95 5.3-5.5 8351/11045=66...(7) HB2 LYS 58 + HZ PHE 10 OK 84 95 95 93 5.9-6.6 ~9570=64, 9547/11045=58...(6) Violated in 0 structures by 0.00 A. Peak 11045 from cnoeabs.peaks (0.09, 7.32, 130.07 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.96: QD1 ILE 61 + HZ PHE 10 OK 96 96 100 100 2.0-2.3 3.3/11038=94...(16) Violated in 0 structures by 0.00 A. Peak 11047 from cnoeabs.peaks (4.50, 7.04, 131.14 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.67: HA SER 9 + QD PHE 10 OK 67 67 100 100 2.2-2.3 3.6/6075=98, 8697=67...(10) HA TRP 60 - QD PHE 10 far 0 100 0 - 8.8-9.0 HA ASN 68 - QD PHE 10 far 0 100 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 11048 from cnoeabs.peaks (8.85, 3.13, 29.83 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.87: H SER 105 + HB2 TRP 16 OK 87 98 100 89 5.1-6.1 10733/4.0=70...(3) H TRP 80 - HB2 TRP 16 far 0 75 0 - 9.8-10.7 Violated in 14 structures by 0.03 A. Peak 11049 from cnoeabs.peaks (7.35, 3.79, 40.05 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 16 + HB2 PHE 79 OK 99 100 100 99 5.3-6.1 11093/1.8=84...(8) Violated in 14 structures by 0.03 A. Peak 11051 from cnoeabs.peaks (0.86, 6.35, 117.86 ppm; 5.39 A): 2 out of 12 assignments used, quality = 0.94: HG LEU 15 + QE TYR 39 OK 89 89 100 100 3.2-3.7 2.1/8104=89, 2.1/8101=82...(9) QG1 VAL 103 + QE TYR 39 OK 44 99 100 45 4.2-5.6 10718/10739=28...(4) QD1 LEU 12 - QE TYR 39 far 9 94 10 - 5.6-7.0 QG2 VAL 103 - QE TYR 39 far 4 73 5 - 6.0-7.2 QD1 LEU 109 - QE TYR 39 lone 0 89 35 2 4.9-11.2 QD1 LEU 17 - QE TYR 39 far 0 82 0 - 6.3-7.2 QG2 VAL 25 - QE TYR 39 far 0 95 0 - 7.0-7.9 QD2 LEU 17 - QE TYR 39 far 0 91 0 - 7.2-7.6 QG2 VAL 102 - QE TYR 39 far 0 86 0 - 7.5-8.7 QD1 LEU 51 - QE TYR 39 far 0 99 0 - 7.5-8.6 QG2 ILE 11 - QE TYR 39 far 0 98 0 - 8.2-8.7 QG1 VAL 69 - QE TYR 39 far 0 78 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 11052 from cnoeabs.peaks (1.15, 6.35, 117.86 ppm; 6.00 A): 3 out of 5 assignments used, quality = 1.00: HG3 LYS 13 + QE TYR 39 OK 97 100 100 97 4.3-5.6 3.0/10739=72, 8537=50...(7) HG2 LYS 13 + QE TYR 39 OK 97 100 100 97 5.3-5.9 3.0/10739=72, 8537=50...(7) HB VAL 14 + QE TYR 39 OK 54 86 100 63 4.8-6.2 4.6/11050=43, 2.1/10746=34 HB2 LEU 12 - QE TYR 39 far 0 69 0 - 8.0-9.3 QD1 LEU 36 - QE TYR 39 far 0 100 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 11054 from cnoeabs.peaks (4.61, 6.90, 131.05 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.99: HA PHE 41 + QD PHE 41 OK 99 99 100 100 2.8-3.1 3.7=100 HB THR 37 - QD PHE 41 far 0 97 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 11055 from cnoeabs.peaks (2.23, 3.03, 42.10 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.91: HB2 ASN 20 + HB3 PHE 41 OK 85 85 100 99 4.9-6.4 8112/2.5=84, ~8113=82...(6) HG3 GLU 54 + HE3 LYS 58 OK 42 58 90 80 4.5-6.7 9188/9186=76, ~9679=14 HB2 GLN 19 - HB3 PHE 41 far 0 82 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 11057 from cnoeabs.peaks (7.49, 7.34, 121.96 ppm; 5.67 A): 1 out of 1 assignment used, quality = 0.94: HZ2 TRP 42 + HZ3 TRP 42 OK 94 94 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 11059 from cnoeabs.peaks (8.16, 7.28, 124.68 ppm; 5.81 A): 1 out of 4 assignments used, quality = 1.00: HE3 TRP 42 + HH2 TRP 42 OK 100 100 100 100 4.3-4.3 4.3=100 H PHE 10 - HH2 TRP 60 far 0 50 0 - 7.2-7.5 H VAL 29 - HH2 TRP 60 far 0 33 0 - 7.6-7.9 H PHE 79 - HH2 TRP 42 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 11062 from cnoeabs.peaks (-0.35, 7.51, 114.90 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.89: QG2 ILE 77 + HZ2 TRP 42 OK 89 90 100 100 2.5-2.8 9966=90, 10790/2.8=66...(9) Violated in 0 structures by 0.00 A. Peak 11063 from cnoeabs.peaks (8.16, -0.33, 14.52 ppm; 5.98 A): 2 out of 2 assignments used, quality = 1.00: H PHE 79 + QG2 ILE 77 OK 100 100 100 100 4.9-5.0 3.6/8516=90, 7119/3.9=85...(4) HE3 TRP 42 + QG2 ILE 77 OK 100 100 100 100 3.9-4.4 9968/2465=87...(10) Violated in 0 structures by 0.00 A. Peak 11065 from cnoeabs.peaks (3.18, -0.33, 14.52 ppm; 5.52 A): 2 out of 3 assignments used, quality = 1.00: HB3 TRP 42 + QG2 ILE 77 OK 96 96 100 99 4.2-5.0 3.9/9967=59...(11) HB2 TRP 42 + QG2 ILE 77 OK 95 96 100 99 4.4-5.1 3.9/9967=59...(11) HB3 ASP 46 - QG2 ILE 77 far 0 95 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 11068 from cnoeabs.peaks (9.51, 4.23, 68.56 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 48 + HB THR 74 OK 100 100 100 100 3.1-3.4 9340=98, 9307/7047=96...(12) Violated in 0 structures by 0.00 A. Peak 11069 from cnoeabs.peaks (6.72, 4.23, 68.56 ppm; 5.63 A): 2 out of 2 assignments used, quality = 0.99: HD1 TRP 48 + HB THR 74 OK 92 92 100 100 3.8-4.3 2.6/9340=91...(9) HD22 ASN 78 + HB THR 74 OK 88 88 100 100 5.5-5.9 8482/2.1=99, ~8515=93...(8) Violated in 0 structures by 0.00 A. Peak 11071 from cnoeabs.peaks (1.24, 6.94, 121.94 ppm; 5.88 A): 1 out of 2 assignments used, quality = 0.99: HD2 LYS 52 + HZ3 TRP 48 OK 99 99 100 100 2.8-4.1 9430=99, 9429/2.4=98...(27) HG12 ILE 67 - HZ3 TRP 48 far 0 98 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 11072 from cnoeabs.peaks (2.78, 6.94, 121.94 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.99: HB2 TRP 48 + HZ3 TRP 48 OK 92 100 100 92 4.8-6.3 6.4=82, 10892/4.3=32...(4) HE3 LYS 52 + HZ3 TRP 48 OK 85 85 100 100 3.4-4.1 1.8/9440=99, 3.0/9430=97...(21) HD2 ARG 66 - HZ3 TRP 48 far 0 96 0 - 8.3-12.4 Violated in 0 structures by 0.00 A. Peak 11074 from cnoeabs.peaks (3.96, 7.32, 114.28 ppm; 5.88 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 70 + HZ2 TRP 48 OK 99 99 100 100 4.7-4.9 9341/2.8=99, 9833=98...(13) HA ALA 64 - HZ2 TRP 48 far 0 75 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11075 from cnoeabs.peaks (3.58, 7.32, 114.28 ppm; 5.90 A): 2 out of 3 assignments used, quality = 0.96: HA ILE 67 + HZ2 TRP 48 OK 94 95 100 99 4.8-5.5 8426/10480=88...(3) HA THR 74 + HZ2 TRP 48 OK 34 68 50 100 6.4-6.8 ~9307=68, 8502/2.8=62...(9) HA TRP 48 - HZ2 TRP 48 far 0 100 0 - 6.6-6.7 Violated in 0 structures by 0.00 A. Peak 11077 from cnoeabs.peaks (7.57, 7.27, 120.40 ppm; 5.03 A): 1 out of 3 assignments used, quality = 1.00: H GLN 49 + HE3 TRP 48 OK 100 100 100 100 3.1-3.6 9352=97, 3.0/8316=88...(9) HD21 ASN 78 - HE3 TRP 48 far 0 100 0 - 9.4-10.5 H GLU 75 - HE3 TRP 48 far 0 73 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 11078 from cnoeabs.peaks (8.43, 7.27, 120.40 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.95: H TRP 48 + HE3 TRP 48 OK 95 95 100 100 5.0-5.2 6.0=100 Violated in 0 structures by 0.00 A. Peak 11079 from cnoeabs.peaks (0.74, 2.78, 29.31 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.95: QD1 ILE 23 + HB2 TRP 48 OK 95 95 100 100 3.0-4.2 8546/8509=91...(8) Violated in 0 structures by 0.00 A. Peak 11080 from cnoeabs.peaks (1.42, 2.78, 29.31 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 47 + HB2 TRP 48 OK 100 100 100 100 3.7-4.5 9315/3.0=95...(4) HB3 LYS 52 - HB2 TRP 48 lone 3 84 40 10 6.2-8.3 10824/7.3=8 HG LEU 70 - HB2 TRP 48 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 11081 from cnoeabs.peaks (7.73, 4.21, 57.89 ppm; 4.39 A): 0 out of 0 assignments used, quality = 0.00: Peak 11082 from cnoeabs.peaks (7.48, 7.19, 127.30 ppm; 5.18 A increased from 4.88 A): 1 out of 1 assignment used, quality = 0.95: HZ2 TRP 60 + HD1 TRP 60 OK 95 95 100 100 5.0-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 11083 from cnoeabs.peaks (6.73, 7.26, 125.17 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.71: HE22 GLN 27 + HH2 TRP 60 OK 71 71 100 100 2.9-3.2 10812=63, 3.5/9011=53...(12) Violated in 0 structures by 0.00 A. Peak 11085 from cnoeabs.peaks (3.87, 7.22, 122.45 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.78: HA ILE 61 + HZ3 TRP 60 OK 78 83 100 94 4.5-4.8 10891/2.5=68, 9635=37...(8) Violated in 0 structures by 0.00 A. Peak 11086 from cnoeabs.peaks (1.58, 7.26, 125.17 ppm; 5.71 A): 1 out of 5 assignments used, quality = 0.97: HG LEU 36 + HH2 TRP 60 OK 97 97 100 100 5.3-5.6 2.1/9587=98, 2.1/9609=93...(14) HB3 LYS 58 - HH2 TRP 60 far 0 82 0 - 6.3-6.7 QB ALA 62 - HH2 TRP 60 far 0 100 0 - 7.3-7.7 HB2 LEU 55 - HH2 TRP 60 far 0 87 0 - 8.8-9.4 HB2 ARG 66 - HH2 TRP 60 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 11088 from cnoeabs.peaks (7.03, 2.07, 33.17 ppm; 5.66 A increased from 5.03 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 10 + HG2 GLN 27 OK 98 98 100 100 4.9-5.8 9015/726=85...(12) Violated in 3 structures by 0.01 A. Peak 11089 from cnoeabs.peaks (7.21, 2.18, 33.17 ppm; 3.96 A): 3 out of 5 assignments used, quality = 0.80: HE21 GLN 27 + HG3 GLN 27 OK 63 63 100 100 2.1-3.1 3.5=100 QD PHE 104 + HB VAL 102 OK 31 58 65 84 4.1-4.8 2.2/11252=33...(8) HZ3 TRP 60 + HG3 GLN 27 OK 22 99 25 89 3.6-5.8 11090/1.8=37...(10) QE PHE 10 - HG3 GLN 27 far 3 59 5 - 4.4-6.2 HD1 TRP 60 - HG3 GLN 27 far 0 96 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 11090 from cnoeabs.peaks (7.21, 2.07, 33.17 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.84: HZ3 TRP 60 + HG2 GLN 27 OK 61 100 75 81 3.7-5.7 10811/6338=33...(10) HE21 GLN 27 + HG2 GLN 27 OK 59 59 100 100 2.1-3.1 3.5=100 QE PHE 10 - HG2 GLN 27 far 0 63 0 - 4.7-5.9 HD1 TRP 60 - HG2 GLN 27 far 0 94 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 11091 from cnoeabs.peaks (10.41, 1.47, 23.86 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.77: HE1 TRP 60 + HG3 LYS 58 OK 77 77 100 100 1.9-2.2 9597/1.8=77, 9595=77...(23) Violated in 0 structures by 0.00 A. Peak 11092 from cnoeabs.peaks (6.87, 0.10, 14.62 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.99: H TRP 60 + QD1 ILE 61 OK 99 99 100 100 2.9-3.7 10455=98, 6790/6804=93...(10) H ASP 65 - QD1 ILE 61 far 0 98 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 11093 from cnoeabs.peaks (7.35, 3.67, 40.05 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HH2 TRP 16 + HB3 PHE 79 OK 100 100 100 100 3.7-5.0 11049/1.8=84...(9) Violated in 0 structures by 0.00 A. Peak 11094 from cnoeabs.peaks (7.02, 3.67, 40.05 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.73: QE PHE 99 + HB3 PHE 79 OK 73 73 100 100 2.3-2.8 2.2/9992=89...(17) HE21 GLN 81 - HB3 PHE 79 far 0 99 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 11095 from cnoeabs.peaks (0.59, 7.68, 132.28 ppm; 5.36 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 83 + QD PHE 79 OK 99 99 100 100 3.3-4.3 10584/2.2=99...(15) QD2 LEU 83 + QD PHE 79 OK 75 75 100 100 3.2-3.9 ~10584=80, 10590=59...(18) QD2 LEU 12 - QD PHE 79 far 0 69 0 - 7.5-8.2 QD1 ILE 77 - QD PHE 79 far 0 99 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 11096 from cnoeabs.peaks (0.56, 3.67, 40.05 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 83 + HB3 PHE 79 OK 100 100 100 100 4.4-5.6 10590/2.4=100...(12) QD1 ILE 77 - HB3 PHE 79 far 0 79 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 11097 from cnoeabs.peaks (2.87, 3.79, 40.05 ppm; 5.74 A): 2 out of 4 assignments used, quality = 0.89: HB2 ASN 78 + HB2 PHE 79 OK 75 88 100 86 4.7-5.0 4.6/7145=85 HB3 ASN 78 + HB2 PHE 79 OK 56 65 100 86 4.6-5.0 4.6/7145=85 HE3 LYS 88 - HB2 PHE 79 far 0 95 0 - 7.7-10.6 HE2 LYS 88 - HB2 PHE 79 far 0 98 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 11098 from cnoeabs.peaks (7.03, 7.68, 132.28 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.89: QE PHE 99 + QD PHE 79 OK 89 89 100 100 2.0-2.5 2.2/10846=94...(22) HE21 GLN 81 - QD PHE 79 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 11099 from cnoeabs.peaks (3.46, 7.31, 131.10 ppm; 6.00 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 95 + QE PHE 79 OK 98 98 100 100 2.9-4.3 8522/10685=93...(9) HA ALA 95 + QE PHE 104 OK 88 88 100 99 4.1-4.8 ~10131=77, ~11120=71...(8) HB3 TRP 80 + QE PHE 79 OK 43 99 45 97 6.2-7.6 ~10006=72, 3.0/2524=42...(7) HB3 TRP 80 - QE PHE 104 far 0 89 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 11102 from cnoeabs.peaks (7.68, 6.93, 128.33 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 79 + HZ PHE 99 OK 100 100 100 100 3.3-3.8 2.4/9992=98...(16) HE3 TRP 16 - HZ PHE 99 far 0 100 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 11103 from cnoeabs.peaks (0.28, 3.77, 62.23 ppm; 5.36 A increased from 5.04 A): 1 out of 3 assignments used, quality = 0.88: QG1 VAL 21 + HA TRP 80 OK 88 88 100 100 5.1-5.2 11273/3.0=77...(14) QG2 VAL 76 - HA TRP 80 far 0 99 0 - 6.5-6.8 HG2 LYS 98 - HA TRP 80 far 0 70 0 - 6.9-9.6 Violated in 0 structures by 0.00 A. Peak 11105 from cnoeabs.peaks (6.85, 3.12, 39.70 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 104 + HB3 PHE 99 OK 99 99 100 100 3.1-5.1 10845/2.7=97, 11116=96...(10) Violated in 0 structures by 0.00 A. Peak 11106 from cnoeabs.peaks (6.85, 7.31, 132.56 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 104 + QD PHE 99 OK 99 99 100 100 2.0-2.9 11116/2.7=55...(15) Violated in 0 structures by 0.00 A. Peak 11108 from cnoeabs.peaks (3.66, 6.93, 128.33 ppm; 6.00 A): 1 out of 4 assignments used, quality = 0.99: HB3 PHE 79 + HZ PHE 99 OK 99 99 100 100 2.5-2.9 9992=99, 1.8/10849=98...(14) HD3 PRO 100 - HZ PHE 99 far 0 75 0 - 7.5-8.2 HA GLN 96 - HZ PHE 99 far 0 59 0 - 9.2-9.9 HA LEU 83 - HZ PHE 99 far 0 77 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 11109 from cnoeabs.peaks (3.77, 6.93, 128.33 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.91: HB2 PHE 79 + HZ PHE 99 OK 91 91 100 100 2.0-2.2 1.8/9992=99, 8517=84...(16) HA TRP 80 - HZ PHE 99 far 0 100 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 11110 from cnoeabs.peaks (2.26, 6.93, 128.33 ppm; 5.04 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 75 + HZ PHE 99 OK 99 100 100 100 3.7-4.7 10501/10984=75, ~9945=49...(16) HB3 GLU 75 + HZ PHE 99 OK 99 99 100 99 3.3-4.0 ~9945=49, 10499/2.2=35...(17) HG3 GLU 101 - HZ PHE 99 far 0 92 0 - 8.1-8.7 HB3 GLN 72 - HZ PHE 99 far 0 96 0 - 8.5-9.0 HG2 GLN 72 - HZ PHE 99 far 0 75 0 - 9.4-10.0 HG2 GLU 101 - HZ PHE 99 far 0 93 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11111 from cnoeabs.peaks (3.48, 7.05, 130.40 ppm; 4.59 A): 4 out of 7 assignments used, quality = 1.00: HA ALA 95 + QE PHE 99 OK 88 99 100 89 4.2-5.0 ~10856=46...(6) HA LEU 51 + QE PHE 40 OK 84 84 100 100 1.8-2.2 1445/8156=83...(23) HB2 SER 38 + QE PHE 40 OK 83 89 100 94 3.9-4.4 8271=50, 9181/10395=38...(10) HA VAL 76 + QE PHE 99 OK 63 63 100 100 2.4-3.1 9922=61, 10704/2.2=56...(22) HB3 TRP 80 - QE PHE 99 far 0 99 0 - 6.2-6.7 HA GLN 49 - QE PHE 40 far 0 67 0 - 7.4-7.6 HA ARG 66 - QE PHE 40 far 0 70 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 11112 from cnoeabs.peaks (2.26, 7.05, 130.40 ppm; 4.31 A): 3 out of 11 assignments used, quality = 1.00: HB2 GLU 75 + QE PHE 99 OK 96 97 100 99 2.0-3.4 3.0/9945=50, 10499=34...(15) HB3 GLU 75 + QE PHE 99 OK 95 97 100 98 2.0-2.7 3.0/9945=50, 10499=33...(15) HG3 GLU 54 + QE PHE 40 OK 89 89 100 100 3.7-4.4 1.8/9946=85...(18) HG3 GLU 101 - QE PHE 99 far 0 83 0 - 5.7-6.5 HB3 GLN 72 - QE PHE 99 far 0 90 0 - 6.2-7.1 HG2 GLU 101 - QE PHE 99 far 0 85 0 - 7.4-8.1 HG2 GLN 72 - QE PHE 99 far 0 63 0 - 7.4-8.3 HG2 GLN 96 - QE PHE 99 far 0 99 0 - 8.3-9.4 HB3 GLN 49 - QE PHE 40 far 0 88 0 - 8.6-8.8 HG2 GLN 72 - QE PHE 40 far 0 51 0 - 9.6-11.1 HG3 GLU 94 - QE PHE 99 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 11113 from cnoeabs.peaks (0.28, 7.05, 130.40 ppm; 5.36 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 76 + QE PHE 99 OK 99 99 100 100 2.9-3.1 10984/2.2=97...(24) HG2 LYS 98 + QE PHE 99 OK 69 69 100 100 2.8-5.0 ~10148=61, ~10731=56...(22) QG1 VAL 21 - QE PHE 99 far 0 88 0 - 7.5-8.0 QG1 VAL 21 - QE PHE 40 far 0 74 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 11114 from cnoeabs.peaks (0.27, 6.93, 128.33 ppm; 5.48 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 76 + HZ PHE 99 OK 93 93 100 100 3.4-4.0 10984=93, 2.1/10985=84...(15) HG2 LYS 98 + HZ PHE 99 OK 79 88 100 90 3.8-6.0 10854/2.2=35, ~10402=27...(11) QG1 VAL 21 - HZ PHE 99 far 0 69 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 11115 from cnoeabs.peaks (0.28, 3.12, 39.70 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 76 + HB3 PHE 99 OK 99 99 100 100 2.9-3.2 10168/2.7=92...(15) HG2 LYS 98 - HB3 PHE 99 far 3 69 5 - 6.2-7.6 Violated in 0 structures by 0.00 A. Peak 11116 from cnoeabs.peaks (3.10, 6.85, 128.55 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.88: HB3 PHE 99 + HZ PHE 104 OK 88 88 100 100 3.1-5.1 2.7/10845=90...(10) HB2 TRP 16 - HZ PHE 104 far 0 66 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 11117 from cnoeabs.peaks (3.01, 6.85, 128.55 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.92: HB2 PHE 99 + HZ PHE 104 OK 92 92 100 100 2.0-3.4 2.7/10845=95...(8) Violated in 0 structures by 0.00 A. Peak 11118 from cnoeabs.peaks (0.84, 6.85, 128.55 ppm; 5.41 A): 1 out of 7 assignments used, quality = 0.93: QG2 VAL 102 + HZ PHE 104 OK 93 93 100 100 3.9-4.3 11147=89, 10211/10504=87...(15) HD2 LYS 98 - HZ PHE 104 poor 20 70 50 57 5.3-7.6 10161/10845=34...(5) QG1 VAL 103 - HZ PHE 104 far 0 63 0 - 6.7-7.2 QG2 ILE 23 - HZ PHE 104 far 0 56 0 - 7.6-7.9 QD1 LEU 12 - HZ PHE 104 far 0 91 0 - 7.9-8.5 QG2 ILE 11 - HZ PHE 104 far 0 89 0 - 8.9-9.2 QD1 LEU 109 - HZ PHE 104 far 0 93 0 - 9.5-16.3 Violated in 0 structures by 0.00 A. Peak 11119 from cnoeabs.peaks (0.91, 6.85, 128.55 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.85: QG1 VAL 76 + HZ PHE 104 OK 68 68 100 100 3.9-4.1 2.1/10504=96, 9918=77...(10) QG1 VAL 14 + HZ PHE 104 OK 54 56 100 98 3.8-4.5 11228/2.2=65...(10) QG2 VAL 103 - HZ PHE 104 far 0 84 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 11120 from cnoeabs.peaks (-0.02, 6.85, 128.55 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.92: QB ALA 95 + HZ PHE 104 OK 92 93 100 100 2.1-3.2 10131=98, 10856/10845=61...(10) HB VAL 21 - HZ PHE 104 far 0 93 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 11121 from cnoeabs.peaks (0.28, 6.85, 128.55 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.90: QG2 VAL 76 + HZ PHE 104 OK 90 90 100 100 3.0-3.4 2.1/9918=98, 10504=95...(12) HG2 LYS 98 - HZ PHE 104 poor 20 63 80 39 5.6-7.3 10146/10845=18...(4) QG1 VAL 21 - HZ PHE 104 far 0 74 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 11123 from cnoeabs.peaks (3.05, 7.30, 131.11 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.62: HB2 PHE 99 + QE PHE 104 OK 62 62 100 100 2.2-3.6 ~10845=79, ~11116=75...(13) HB2 PHE 99 - QE PHE 79 far 4 73 5 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 11125 from cnoeabs.peaks (8.41, 0.58, 13.39 ppm; 3.81 A): 1 out of 5 assignments used, quality = 0.99: H TRP 48 + QD1 ILE 77 OK 99 100 100 99 2.7-2.9 3.6/10789=59...(9) H ASN 78 - QD1 ILE 77 far 0 57 0 - 4.8-4.9 H ALA 73 - QD1 ILE 77 far 0 73 0 - 5.6-5.8 H ASP 53 - QD1 ILE 77 far 0 81 0 - 8.8-9.5 H VAL 103 - QD1 ILE 77 far 0 59 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 11126 from cnoeabs.peaks (3.54, 0.50, 29.37 ppm; 6.00 A): 2 out of 4 assignments used, quality = 0.99: HA THR 74 + HG12 ILE 77 OK 99 99 100 100 5.5-5.7 8497/2.1=99, 2338/3.0=98...(7) HA VAL 76 + HG12 ILE 77 OK 24 96 25 99 6.5-6.7 3.6/2446=91, ~9977=66...(6) HA PRO 43 - HG12 ILE 77 far 0 91 0 - 6.8-7.2 HD2 PRO 43 - HG12 ILE 77 far 0 100 0 - 7.2-9.0 Violated in 0 structures by 0.00 A. Peak 11127 from cnoeabs.peaks (3.54, 1.57, 29.37 ppm; 5.13 A): 5 out of 8 assignments used, quality = 1.00: HA THR 74 + HG13 ILE 77 OK 100 100 100 100 4.3-4.7 8497/2.1=98, 2338/3.0=91...(7) HA VAL 76 + HG13 ILE 77 OK 88 91 100 97 5.5-5.6 3.6/7098=82, ~9977=50...(7) HA GLU 56 + HB2 ARG 66 OK 77 78 100 99 4.9-5.6 9525/3.4=78, 9526/3.4=76...(9) HA ILE 67 + HB2 ARG 66 OK 64 64 100 99 5.0-5.3 ~6875=66, ~2051=62...(11) HA GLU 56 + HB3 LYS 58 OK 58 63 100 91 5.2-5.7 9560/6748=72...(4) HB3 TRP 60 - HB3 LYS 58 far 2 36 5 - 5.7-6.2 HA PRO 43 - HG13 ILE 77 far 0 84 0 - 8.3-8.8 HD2 PRO 43 - HG13 ILE 77 far 0 98 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 11129 from cnoeabs.peaks (6.88, 3.86, 49.50 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.94: HH2 TRP 80 + HD3 PRO 43 OK 94 100 100 94 3.5-4.2 2.4/9248=54, 9247/1.8=52...(7) QD PHE 41 - HD3 PRO 43 far 0 90 0 - 5.8-7.7 Violated in 0 structures by 0.00 A. Peak 11130 from cnoeabs.peaks (6.83, 3.53, 49.50 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.99: HD1 TRP 42 + HD2 PRO 43 OK 98 100 100 98 3.6-4.6 8563/1.8=90, 10713=48...(5) HZ2 TRP 80 + HD2 PRO 43 OK 44 90 50 98 5.3-6.4 ~11129=67, 2.5/10725=56...(7) HZ PHE 41 - HD2 PRO 43 far 0 100 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 11131 from cnoeabs.peaks (3.77, 1.35, 26.27 ppm; 5.55 A): 2 out of 4 assignments used, quality = 1.00: HA TRP 80 + HG LEU 83 OK 100 100 100 100 2.2-2.5 9998=100, 10576/2.1=99...(11) HB2 PHE 79 + HG LEU 83 OK 49 90 55 100 5.7-6.5 ~10590=77, ~10839=60...(11) HA LYS 84 - HG LEU 83 far 0 61 0 - 6.2-6.5 HB3 TRP 16 - HG LEU 83 far 0 99 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 11132 from cnoeabs.peaks (3.77, 1.24, 40.25 ppm; 5.25 A): 2 out of 4 assignments used, quality = 1.00: HA TRP 80 + HB2 LEU 83 OK 100 100 100 100 3.3-5.2 9997/1.8=94...(7) HA LYS 84 + HB2 LEU 83 OK 61 61 100 99 4.2-4.8 ~10558=64, ~10592=42...(14) HB2 PHE 79 - HB2 LEU 83 far 0 90 0 - 8.1-9.3 HB3 TRP 16 - HB2 LEU 83 far 0 99 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 11136 from cnoeabs.peaks (3.65, 2.18, 33.17 ppm; 5.78 A): 2 out of 7 assignments used, quality = 1.00: HB3 SER 34 + HG3 GLN 27 OK 100 100 100 100 1.7-3.5 8557/1.8=100...(15) HD3 PRO 100 + HB VAL 102 OK 69 88 85 92 5.9-6.7 4.8/9007=60...(4) HB2 SER 9 - HG3 GLN 27 far 0 100 0 - 6.5-7.7 HA2 GLY 97 - HB VAL 102 far 0 92 0 - 7.4-8.7 HB3 SER 9 - HG3 GLN 27 far 0 100 0 - 7.5-9.0 HB3 PHE 79 - HB VAL 102 far 0 91 0 - 7.9-8.5 HA2 GLY 30 - HG3 GLN 27 far 0 68 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 11138 from cnoeabs.peaks (2.63, 7.25, 130.98 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.98: HB3 ASP 65 + QE PHE 10 OK 89 89 100 100 3.6-3.9 8373/8383=84...(12) HB3 PHE 10 + QE PHE 10 OK 79 79 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 11139 from cnoeabs.peaks (2.96, 7.25, 130.98 ppm; 6.00 A): 0 out of 1 assignment used, quality = 0.00: HB2 TRP 60 - QE PHE 10 far 0 100 0 - 7.0-7.2 Violated in 20 structures by 1.06 A. Peak 11140 from cnoeabs.peaks (3.64, 7.25, 130.98 ppm; 5.63 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 9 + QE PHE 10 OK 98 98 100 100 5.6-5.9 ~8697=67, 4.3/8726=67...(11) HB3 SER 9 + QE PHE 10 OK 97 98 100 100 5.3-5.6 ~8697=67, 4.3/8726=67...(9) HB3 SER 34 - QE PHE 10 far 0 95 0 - 7.3-8.5 HA GLU 63 - QE PHE 10 far 0 64 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 11141 from cnoeabs.peaks (2.02, 2.94, 40.59 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: QE MET 92 + HB3 PHE 104 OK 96 96 100 100 1.9-3.0 11020/2.5=95...(7) QE MET 92 + HB2 PHE 104 OK 95 96 100 100 1.9-2.7 11020/2.5=95...(7) HB ILE 90 - HB3 PHE 104 far 0 68 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 11142 from cnoeabs.peaks (0.92, 7.17, 131.44 ppm; 6.00 A): 3 out of 4 assignments used, quality = 0.99: QG1 VAL 76 + QD PHE 104 OK 84 86 100 97 4.7-5.4 9918/3.8=79...(6) QG2 VAL 103 + QD PHE 104 OK 80 81 100 100 4.6-5.3 3.2/10729=87, ~10725=62...(10) QG1 VAL 14 + QD PHE 104 OK 76 76 100 100 2.4-3.3 10244/3.7=87, 11227=81...(13) HB2 LEU 15 - QD PHE 104 far 3 59 5 - 6.5-7.4 Violated in 0 structures by 0.00 A. Peak 11143 from cnoeabs.peaks (4.95, 3.81, 64.55 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.80: HA LEU 15 + HB3 SER 105 OK 80 100 100 81 3.6-4.3 4.3/10253=38...(6) HA LEU 15 - HB2 SER 105 poor 20 100 20 - 3.9-5.6 Violated in 3 structures by 0.02 A. Peak 11144 from cnoeabs.peaks (3.82, 0.84, 25.81 ppm; 6.00 A): 3 out of 8 assignments used, quality = 1.00: HB3 SER 105 + HG LEU 15 OK 100 100 100 100 3.4-3.7 11143/4.3=84...(9) HB2 SER 105 + HG LEU 15 OK 99 100 100 99 3.6-5.3 1.8/10253=77, ~8830=66...(7) HB3 TRP 16 + HG LEU 15 OK 47 59 100 80 5.7-6.0 4.0/6161=79 HB3 SER 107 - HG LEU 15 far 4 75 5 - 4.2-13.9 HB3 SER 107 - QD1 LEU 17 far 0 74 0 - 6.7-17.2 HB3 TRP 16 - QD1 LEU 17 far 0 58 0 - 7.1-7.7 HB3 SER 105 - QD1 LEU 17 far 0 99 0 - 7.7-9.1 HB2 SER 105 - QD1 LEU 17 far 0 99 0 - 7.8-10.5 Violated in 0 structures by 0.00 A. Peak 11145 from cnoeabs.peaks (7.00, 1.38, 26.78 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.81: QE PHE 41 + HG LEU 17 OK 81 81 100 100 4.1-4.9 11146/2.1=96, ~10938=67...(11) HE21 GLN 72 - HG13 ILE 11 far 0 24 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 11146 from cnoeabs.peaks (7.00, 0.84, 25.77 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.66: QE PHE 41 + QD1 LEU 17 OK 66 68 100 98 1.9-2.4 2.2/10938=64...(13) QE PHE 41 - HG LEU 15 far 0 67 0 - 6.4-7.1 HE21 GLN 81 - QD1 LEU 17 far 0 88 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 11147 from cnoeabs.peaks (6.87, 0.84, 22.53 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.76: HZ PHE 104 + QG2 VAL 102 OK 76 77 100 99 3.9-4.3 10845/8844=56...(15) QD PHE 41 - QD2 LEU 17 far 8 81 10 - 4.7-6.1 HH2 TRP 80 - QD2 LEU 17 far 0 100 0 - 7.7-8.7 Violated in 3 structures by 0.01 A. Peak 11148 from cnoeabs.peaks (0.82, 0.31, 20.01 ppm; 3.92 A): 1 out of 11 assignments used, quality = 0.94: QG2 ILE 23 + QG1 VAL 21 OK 94 95 100 100 3.5-3.7 11149/2.1=91, 8141=88...(9) QD1 LEU 17 - QG1 VAL 21 far 0 96 0 - 4.5-5.4 QD2 LEU 17 - QG1 VAL 21 far 0 88 0 - 6.4-6.9 HB2 LYS 84 - QG1 VAL 21 far 0 94 0 - 6.8-8.2 QD1 LEU 12 - QG1 VAL 21 far 0 84 0 - 7.0-7.3 QG2 VAL 102 - QG1 VAL 21 far 0 93 0 - 7.8-8.2 HG LEU 15 - QG1 VAL 21 far 0 91 0 - 8.4-8.8 QD1 LEU 109 - QG1 VAL 21 far 0 91 0 - 8.8-17.7 QG2 VAL 25 - QG1 VAL 21 far 0 82 0 - 9.3-9.6 QD1 LEU 51 - QG1 VAL 21 far 0 63 0 - 9.4-9.8 QG2 ILE 90 - QG1 VAL 21 far 0 59 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11149 from cnoeabs.peaks (0.81, 0.70, 22.15 ppm; 2.88 A increased from 2.71 A): 1 out of 10 assignments used, quality = 0.74: QG2 ILE 23 + QG2 VAL 21 OK 74 99 100 75 2.7-2.8 8141/2.1=38...(9) QD1 LEU 17 - QG2 VAL 21 far 0 88 0 - 4.5-5.1 QD2 LEU 17 - QG2 VAL 21 far 0 77 0 - 5.9-6.1 QD1 LEU 12 - QG2 VAL 21 far 0 71 0 - 5.9-6.3 HG LEU 15 - QG2 VAL 21 far 0 81 0 - 6.3-6.8 QG2 VAL 102 - QG2 VAL 21 far 0 84 0 - 6.4-6.6 QD1 LEU 109 - QG2 VAL 21 far 0 81 0 - 7.5-15.7 QG2 VAL 25 - QG2 VAL 21 far 0 70 0 - 8.3-8.6 HB2 LYS 84 - QG2 VAL 21 far 0 85 0 - 8.4-10.0 QG2 ILE 90 - QG2 VAL 21 far 0 73 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 11150 from cnoeabs.peaks (2.41, 0.13, 21.17 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.84: HB2 PHE 41 + QB ALA 22 OK 84 84 100 100 3.8-4.2 2.5/8135=90, 3.0/8132=81...(9) HB3 ASN 20 - QB ALA 22 poor 18 63 55 52 4.7-6.2 8113/8135=38...(3) HG2 GLN 50 - QB ALA 22 far 0 93 0 - 7.8-8.4 HG2 GLN 19 - QB ALA 22 far 0 96 0 - 9.1-10.6 HG3 GLN 19 - QB ALA 22 far 0 96 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 11151 from cnoeabs.peaks (6.98, 0.13, 21.17 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.98: QE PHE 41 + QB ALA 22 OK 98 99 100 99 3.0-3.6 2.2/8135=74...(13) HD22 ASN 108 - QB ALA 22 far 0 90 0 - 6.5-16.8 Violated in 0 structures by 0.00 A. Peak 11152 from cnoeabs.peaks (6.82, 0.13, 21.17 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.95: HZ PHE 41 + QB ALA 22 OK 95 96 100 99 3.8-4.3 2.2/11151=82...(9) HD1 TRP 42 - QB ALA 22 far 0 99 0 - 5.2-5.7 HZ2 TRP 80 - QB ALA 22 far 0 99 0 - 7.8-8.1 Violated in 1 structures by 0.00 A. Peak 11153 from cnoeabs.peaks (1.49, 0.75, 13.70 ppm; 2.75 A): 2 out of 14 assignments used, quality = 0.96: HB3 LEU 51 + QD1 ILE 23 OK 89 99 100 90 2.5-3.2 1477/8144=45...(14) QB ALA 73 + QD1 ILE 23 OK 69 75 100 91 2.2-2.3 8493=45, 8495/8144=32...(15) HD3 LYS 13 - QD1 ILE 11 poor 16 89 45 41 3.2-5.7 3.0/8803=11, 3.0/8803=10...(8) HD2 LYS 13 - QD1 ILE 11 far 0 89 0 - 4.0-5.3 HB ILE 77 - QD1 ILE 23 far 0 71 0 - 4.7-4.9 HB2 LEU 36 - QD1 ILE 11 far 0 58 0 - 4.9-6.7 HG LEU 12 - QD1 ILE 23 far 0 70 0 - 5.0-5.3 QB ALA 45 - QD1 ILE 23 far 0 84 0 - 6.6-6.9 HG LEU 12 - QD1 ILE 11 far 0 62 0 - 7.1-7.6 HB2 LEU 109 - QD1 ILE 11 far 0 88 0 - 7.7-18.8 QB ALA 73 - QD1 ILE 11 far 0 68 0 - 8.3-9.1 HD3 LYS 13 - QD1 ILE 23 far 0 96 0 - 8.9-10.5 HD2 LYS 13 - QD1 ILE 23 far 0 96 0 - 9.6-10.4 HB3 LEU 51 - QD1 ILE 11 far 0 93 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 11154 from cnoeabs.peaks (8.40, 0.80, 17.01 ppm; 4.37 A increased from 4.11 A): 1 out of 5 assignments used, quality = 0.87: H TRP 48 + QG2 ILE 23 OK 87 94 100 93 4.2-4.4 8744/646=78, ~9318=32...(5) H ALA 73 - QG2 ILE 23 far 0 96 0 - 5.7-5.9 H VAL 103 - QG2 ILE 23 far 0 90 0 - 6.8-7.3 H ASP 53 - QG2 ILE 23 far 0 99 0 - 9.5-10.3 H ASP 18 - QG2 ILE 23 far 0 100 0 - 9.9-10.2 Violated in 2 structures by 0.00 A. Peak 11155 from cnoeabs.peaks (0.76, 1.98, 31.91 ppm; 3.71 A): 3 out of 21 assignments used, quality = 0.99: QG1 VAL 29 + HB2 LYS 31 OK 95 100 100 95 2.7-3.4 8197=86, 8210/6404=42 QD2 LEU 36 + HB3 GLN 27 OK 58 58 100 100 2.6-3.2 2.1/8253=40, 9169=32...(28) QD2 LEU 36 + HB2 GLN 27 OK 57 58 100 100 1.9-2.3 2.1/8253=40, 9169=32...(27) QG2 VAL 29 - HB3 GLN 27 far 0 60 0 - 4.4-4.7 QG2 VAL 29 - HB2 GLN 27 far 0 59 0 - 4.5-4.8 QD1 ILE 11 - HB3 GLN 27 far 0 87 0 - 4.6-6.4 QD1 ILE 11 - HB2 GLN 27 far 0 87 0 - 4.7-6.6 QG2 VAL 29 - HB2 LYS 31 far 0 73 0 - 5.0-5.5 QG2 ILE 28 - HB2 GLN 27 far 0 71 0 - 6.4-6.7 QG2 ILE 28 - HB2 LYS 31 far 0 85 0 - 6.8-7.0 QG2 ILE 28 - HB3 GLN 27 far 0 71 0 - 6.9-7.1 HB3 LEU 55 - HB2 GLN 27 far 0 85 0 - 7.0-7.5 QG1 VAL 29 - HB3 GLN 27 far 0 89 0 - 7.0-7.4 QG1 VAL 29 - HB2 GLN 27 far 0 89 0 - 7.1-7.3 QG2 VAL 69 - HB2 GLN 27 far 0 75 0 - 7.3-7.5 HB3 LEU 55 - HB3 GLN 27 far 0 85 0 - 7.6-8.6 QG2 VAL 69 - HB3 GLN 27 far 0 75 0 - 7.7-8.3 QD1 ILE 11 - HB2 LYS 31 far 0 99 0 - 9.0-9.6 QD2 LEU 109 - HB2 LYS 31 far 0 100 0 - 9.0-24.2 QD1 ILE 11 - HB3 PRO 100 far 0 90 0 - 9.3-11.2 QD2 LEU 109 - HB3 GLN 27 far 0 89 0 - 9.8-20.2 Violated in 0 structures by 0.00 A. Peak 11156 from cnoeabs.peaks (0.71, 1.98, 31.91 ppm; 3.90 A): 1 out of 12 assignments used, quality = 0.48: QG1 VAL 29 + HB2 LYS 31 OK 48 63 100 75 2.7-3.4 8197=62, 8210/6404=35 QG2 VAL 29 - HB2 GLN 27 far 13 86 15 - 4.5-4.8 QG2 VAL 29 - HB3 GLN 27 far 9 87 10 - 4.4-4.7 QG2 VAL 29 - HB2 LYS 31 far 0 99 0 - 5.0-5.5 QG1 VAL 29 - HB3 GLN 27 far 0 51 0 - 7.0-7.4 QG1 VAL 29 - HB2 GLN 27 far 0 51 0 - 7.1-7.3 QD1 ILE 28 - HB2 GLN 27 far 0 58 0 - 7.1-7.3 QD1 ILE 28 - HB3 GLN 27 far 0 58 0 - 7.5-7.6 QD1 ILE 28 - HB2 LYS 31 far 0 71 0 - 8.5-8.8 QD2 LEU 109 - HB2 LYS 31 far 0 59 0 - 9.0-24.2 QD1 ILE 28 - HB3 PRO 100 far 0 60 0 - 9.3-10.0 QD2 LEU 109 - HB3 GLN 27 far 0 48 0 - 9.8-20.2 Violated in 0 structures by 0.00 A. Peak 11157 from cnoeabs.peaks (3.85, 1.64, 31.96 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.99: HD3 PRO 43 + HB3 PRO 43 OK 98 98 100 100 3.0-3.9 3.0=100 HA3 GLY 32 + HB3 LYS 31 OK 69 69 100 100 5.1-6.1 6413/4.6=90, ~6404=78...(7) HA GLN 81 - HB3 PRO 43 far 0 98 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 11158 from cnoeabs.peaks (1.92, 0.58, 31.96 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 43 + HB2 PRO 43 OK 99 99 100 100 2.3-2.7 2.3=100 HB3 ARG 44 + HB2 PRO 43 OK 41 77 55 97 5.9-6.7 6528/3.7=93, ~9251=32...(4) Violated in 0 structures by 0.00 A. Peak 11159 from cnoeabs.peaks (1.50, 0.58, 31.96 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.96: HG2 PRO 43 + HB2 PRO 43 OK 95 95 100 100 2.3-2.7 2.3=100 QB ALA 45 + HB2 PRO 43 OK 28 79 45 79 6.6-6.8 ~9267=65, 1214/2.3=35 Violated in 0 structures by 0.00 A. Peak 11160 from cnoeabs.peaks (1.72, 1.11, 26.59 ppm; 5.43 A): 3 out of 5 assignments used, quality = 1.00: HB VAL 25 + HG LEU 51 OK 94 95 100 100 4.4-4.8 2.1/1472=46, 668/2.1=45...(16) HG LEU 55 + HG LEU 51 OK 93 93 100 100 3.4-3.9 ~8071=90, 10485/9409=65...(13) HG12 ILE 23 + HG LEU 51 OK 70 100 70 100 5.7-6.2 8932/2.1=100, ~8144=92...(14) HB3 ARG 66 - HG LEU 51 far 0 99 0 - 6.1-7.5 HB3 LEU 36 - HG LEU 51 far 0 90 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 11161 from cnoeabs.peaks (1.11, 1.74, 25.56 ppm; 4.50 A): 2 out of 10 assignments used, quality = 1.00: HG LEU 51 + HG LEU 55 OK 99 100 100 99 3.4-3.9 ~8071=70, 2.1/10289=53...(12) HB2 LEU 51 + HG12 ILE 23 OK 77 77 100 100 3.1-4.4 9398/2.1=80, ~9399=55...(14) HB2 LEU 51 - HG LEU 55 far 0 99 0 - 5.3-5.9 HG3 ARG 66 - HG LEU 55 far 0 93 0 - 5.5-6.9 HG LEU 51 - HG12 ILE 23 far 0 80 0 - 5.7-6.2 QD1 LEU 36 - HG LEU 55 far 0 63 0 - 6.0-6.1 HG3 LYS 13 - HG12 ILE 23 far 0 45 0 - 8.0-9.6 HB VAL 14 - HG12 ILE 23 far 0 77 0 - 8.1-8.4 HG2 LYS 13 - HG12 ILE 23 far 0 45 0 - 8.2-9.7 QG2 THR 8 - HG LEU 55 far 0 79 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 11162 from cnoeabs.peaks (3.67, 2.79, 42.68 ppm; 5.87 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 63 + HD2 ARG 66 OK 100 100 100 100 2.8-4.7 1964/3.4=92...(7) HA LEU 55 + HD2 ARG 66 OK 59 70 85 100 4.3-6.8 9527/9525=72...(22) Violated in 0 structures by 0.00 A. Peak 11163 from cnoeabs.peaks (3.67, 1.13, 28.16 ppm; 5.33 A): 1 out of 5 assignments used, quality = 1.00: HA GLU 63 + HG3 ARG 66 OK 100 100 100 100 2.7-3.9 1964/2.9=89...(8) HB3 PHE 79 - HD3 LYS 98 poor 16 54 30 - 5.1-6.7 HA LEU 55 - HG3 ARG 66 far 10 70 15 - 5.7-7.8 HA2 GLY 97 - HD3 LYS 98 far 0 54 0 - 6.8-8.3 HA GLN 96 - HD3 LYS 98 far 0 44 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 11164 from cnoeabs.peaks (0.78, 1.13, 28.16 ppm; 4.28 A): 2 out of 6 assignments used, quality = 0.99: QD1 ILE 67 + HG3 ARG 66 OK 92 92 100 100 2.0-4.3 8428=92, 11166/1.8=90...(11) QG2 VAL 69 + HG3 ARG 66 OK 90 100 100 90 4.3-4.7 8455/3.8=62, 10473=22...(10) HB3 LEU 55 - HG3 ARG 66 far 15 98 15 - 3.5-5.7 QD2 LEU 36 - HG3 ARG 66 far 0 99 0 - 5.6-7.8 HG2 LYS 52 - HG3 ARG 66 far 0 98 0 - 6.4-9.5 QG2 ILE 90 - HD3 LYS 98 far 0 55 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 11165 from cnoeabs.peaks (0.78, 1.29, 28.16 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.93: QD1 ILE 67 + HG2 ARG 66 OK 91 92 100 100 2.0-3.1 11166=92, 8428/1.8=66...(11) QG2 VAL 69 + HG2 ARG 66 OK 23 100 30 76 4.0-5.1 8455/3.8=42...(8) HG2 LYS 52 - HG2 ARG 66 far 0 98 0 - 4.7-9.4 HB3 LEU 55 - HG2 ARG 66 far 0 98 0 - 4.7-5.6 QD2 LEU 36 - HG2 ARG 66 far 0 99 0 - 7.0-7.8 QD1 ILE 23 - HG2 ARG 66 far 0 82 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 11166 from cnoeabs.peaks (1.30, 0.80, 12.36 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.94: HG2 ARG 66 + QD1 ILE 67 OK 94 100 100 94 2.0-3.1 1.8/8428=55, 11165=50...(11) HB ILE 61 - QD1 ILE 67 far 0 85 0 - 7.1-7.9 Violated in 1 structures by 0.00 A. Peak 11167 from cnoeabs.peaks (0.85, 1.97, 31.29 ppm; 2.91 A): 3 out of 23 assignments used, quality = 0.98: QD1 LEU 12 + HB VAL 69 OK 81 99 100 82 3.0-3.5 8077=30, ~11219=16...(13) QG2 VAL 25 + HB VAL 69 OK 70 100 100 70 1.8-1.8 8077=26, 9402/2.1=20...(13) QG1 VAL 69 + HB VAL 69 OK 61 61 100 100 2.1-2.1 2.1=100 QD1 LEU 51 - HB VAL 69 far 0 100 0 - 3.6-4.0 QG2 ILE 11 - HB VAL 69 far 0 100 0 - 5.6-5.9 QG1 VAL 69 - HB2 GLN 27 far 0 42 0 - 6.3-6.5 QG2 VAL 6 - HB2 GLN 27 far 0 73 0 - 6.5-7.5 QG2 VAL 102 - HB VAL 69 far 0 96 0 - 6.5-6.8 QG1 VAL 69 - HB3 GLN 27 far 0 42 0 - 6.7-7.3 QG2 VAL 25 - HB2 GLN 27 far 0 79 0 - 6.8-7.3 QG2 VAL 25 - HB3 GLN 27 far 0 78 0 - 6.9-7.3 QD1 LEU 51 - HB3 GLN 27 far 0 79 0 - 7.2-7.8 QG1 VAL 103 - HB VAL 69 far 0 95 0 - 7.3-9.3 QG1 VAL 6 - HB2 GLN 27 far 0 77 0 - 7.3-9.2 QD1 LEU 51 - HB2 GLN 27 far 0 80 0 - 7.4-7.8 QG2 VAL 6 - HB3 GLN 27 far 0 72 0 - 7.8-8.4 QG2 ILE 11 - HB2 GLN 27 far 0 80 0 - 8.0-8.1 QG2 ILE 11 - HB3 GLN 27 far 0 79 0 - 8.0-8.2 QG1 VAL 6 - HB3 GLN 27 far 0 76 0 - 8.7-10.2 QG1 VAL 103 - HB3 GLN 27 far 0 71 0 - 9.3-10.6 QD1 LEU 12 - HB2 GLN 27 far 0 78 0 - 9.6-10.1 QD1 LEU 12 - HB3 GLN 27 far 0 78 0 - 9.7-10.1 QG1 VAL 103 - HB2 GLN 27 far 0 72 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 11168 from cnoeabs.peaks (1.00, 1.97, 31.29 ppm; 4.41 A): 3 out of 10 assignments used, quality = 0.94: QG1 VAL 25 + HB VAL 69 OK 71 90 100 79 3.2-3.6 2.1/11167=32, 8952=22...(8) QG1 VAL 25 + HB3 GLN 27 OK 55 65 100 84 4.3-4.8 8974/4.0=31, 8952=23...(11) QG1 VAL 25 + HB2 GLN 27 OK 55 66 100 83 4.3-4.8 8974/4.0=31, 8952=23...(10) QG2 THR 37 - HB3 GLN 27 far 0 80 0 - 5.4-5.5 QG2 THR 37 - HB2 GLN 27 far 0 80 0 - 5.6-6.2 QG2 THR 33 - HB3 GLN 27 far 0 68 0 - 5.8-6.0 QG2 THR 37 - HB VAL 69 far 0 100 0 - 6.0-6.5 QG2 THR 33 - HB2 GLN 27 far 0 68 0 - 6.1-6.3 QG2 THR 33 - HB VAL 69 far 0 92 0 - 8.9-9.3 QG2 THR 74 - HB VAL 69 far 0 68 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 11169 from cnoeabs.peaks (0.49, 0.78, 22.09 ppm; 2.93 A increased from 2.75 A): 1 out of 3 assignments used, quality = 0.93: QD2 LEU 51 + QG2 VAL 69 OK 93 99 100 94 2.3-2.9 9401=51, 2.1/10474=38...(9) HB2 LYS 52 - QG2 VAL 69 far 0 97 0 - 5.3-7.2 QG2 VAL 14 - QG2 VAL 69 far 0 96 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 11172 from cnoeabs.peaks (3.45, 7.30, 119.89 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.90: HB3 TRP 80 + HE3 TRP 80 OK 90 90 100 100 2.5-2.6 4.2=100 Violated in 0 structures by 0.00 A. Peak 11173 from cnoeabs.peaks (1.51, 3.86, 57.93 ppm; 4.48 A increased from 4.21 A): 1 out of 4 assignments used, quality = 0.94: HB3 LYS 84 + HA GLN 81 OK 94 99 100 94 3.7-4.3 11178=77, 1.8/11174=65...(5) HG2 PRO 43 - HA GLN 81 far 0 77 0 - 8.2-10.1 HD2 LYS 88 - HA GLN 81 far 0 99 0 - 9.2-11.3 HD3 LYS 88 - HA GLN 81 far 0 99 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 11174 from cnoeabs.peaks (0.85, 3.86, 57.93 ppm; 5.01 A increased from 4.71 A): 1 out of 2 assignments used, quality = 0.98: HB2 LYS 84 + HA GLN 81 OK 98 99 100 99 3.0-4.8 1.8/11173=91, 11179=68...(5) QD1 LEU 17 - HA GLN 81 far 0 99 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 11175 from cnoeabs.peaks (1.70, 1.56, 40.25 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.98: HB3 LYS 88 + HB3 LEU 83 OK 98 98 100 100 1.9-3.9 10073/3.1=92...(19) Violated in 0 structures by 0.00 A. Peak 11176 from cnoeabs.peaks (1.67, 1.24, 40.25 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.93: HB3 LYS 88 + HB2 LEU 83 OK 93 93 100 100 1.9-3.7 10565/3.1=90...(18) Violated in 0 structures by 0.00 A. Peak 11178 from cnoeabs.peaks (3.87, 1.52, 30.09 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.98: HA GLN 81 + HB3 LYS 84 OK 97 99 100 98 3.7-4.3 11173=91, 11174/1.8=61...(4) HA ILE 61 + HB3 LYS 58 OK 27 34 100 79 4.5-4.9 2.9/9618=30, ~6801=23...(11) HD3 PRO 43 - HB3 LYS 84 far 0 99 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 11179 from cnoeabs.peaks (3.86, 0.84, 30.09 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 81 + HB2 LYS 84 OK 100 100 100 100 3.0-4.8 11174=99, 11173/1.8=99...(5) HD3 PRO 43 - HB2 LYS 84 far 0 100 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 11180 from cnoeabs.peaks (0.74, 1.52, 30.09 ppm; 4.99 A increased from 4.20 A): 1 out of 2 assignments used, quality = 0.22: HB3 LEU 55 + HB3 LYS 58 OK 22 30 100 73 4.5-5.3 ~9563=40, ~9564=37...(5) QG2 VAL 29 - HB3 LYS 58 far 0 46 0 - 9.6-10.1 Violated in 3 structures by 0.03 A. Peak 11181 from cnoeabs.peaks (0.87, 1.52, 30.09 ppm; 3.58 A): 1 out of 6 assignments used, quality = 0.73: HB2 LYS 84 + HB3 LYS 84 OK 73 73 100 100 1.8-1.8 1.8=100 QG2 VAL 6 - HB3 LYS 58 far 0 30 0 - 7.5-11.0 QG1 VAL 6 - HB3 LYS 58 far 0 35 0 - 7.6-10.1 QD1 LEU 51 - HB3 LYS 58 far 0 45 0 - 7.7-8.5 QG2 VAL 25 - HB3 LYS 58 far 0 38 0 - 8.9-9.7 QG1 VAL 69 - HB3 LYS 58 far 0 39 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 11182 from cnoeabs.peaks (0.76, 2.69, 41.89 ppm; 4.53 A): 2 out of 9 assignments used, quality = 0.64: QG2 VAL 69 + HB3 PHE 10 OK 46 46 100 100 3.9-4.2 9806/1.8=77, ~8453=69...(15) QD2 LEU 36 + HB3 PHE 10 OK 34 34 100 98 3.3-3.5 8238/2.5=66, ~8241=51...(12) QD1 ILE 11 - HB3 PHE 10 far 3 55 5 - 4.1-5.7 HB3 LEU 55 - HB3 PHE 10 far 0 53 0 - 5.9-6.4 QG2 ILE 28 - HB3 PHE 10 far 0 43 0 - 6.9-6.9 QG2 VAL 29 - HB3 PHE 10 far 0 33 0 - 7.5-7.7 QD1 ILE 23 - HB3 PHE 10 far 0 56 0 - 9.5-10.0 QG2 ILE 90 - HE2 LYS 84 far 0 88 0 - 9.7-11.7 QG1 VAL 29 - HB3 PHE 10 far 0 55 0 - 9.9-10.0 Violated in 0 structures by 0.00 A. Peak 11183 from cnoeabs.peaks (0.76, 1.21, 27.31 ppm; 3.76 A): 0 out of 2 assignments used, quality = 0.00: QG2 ILE 90 - HD2 LYS 84 far 0 84 0 - 8.1-12.3 QG2 ILE 90 - HG2 LYS 84 far 0 92 0 - 8.6-11.5 Violated in 20 structures by 5.15 A. Peak 11184 from cnoeabs.peaks (7.53, 0.66, 13.00 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: H ALA 95 + QD1 ILE 90 OK 100 100 100 100 2.0-3.2 10121=90, 2.9/8522=88...(10) H LEU 83 - QD1 ILE 90 far 0 99 0 - 5.9-6.9 H GLN 86 - QD1 ILE 90 far 0 82 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 11185 from cnoeabs.peaks (7.41, 1.87, 28.40 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.93: H GLY 97 + HB3 GLN 96 OK 93 93 100 100 2.5-3.2 4.1=100 HZ3 TRP 16 - HB3 GLN 96 far 0 68 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 11186 from cnoeabs.peaks (7.40, 1.72, 28.40 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.90: H GLY 97 + HB2 GLN 96 OK 90 90 100 100 2.5-3.3 4.1=100 HZ3 TRP 16 - HB2 GLN 96 far 0 61 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11188 from cnoeabs.peaks (8.46, 1.23, 41.65 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: H ALA 22 + HB3 LEU 15 OK 100 100 100 100 2.5-2.9 2.9/8128=100, ~8127=87...(12) Violated in 0 structures by 0.00 A. Peak 11189 from cnoeabs.peaks (8.86, 0.84, 25.81 ppm; 6.00 A): 3 out of 6 assignments used, quality = 1.00: H SER 105 + HG LEU 15 OK 99 100 100 100 4.2-4.9 10255/2.1=89...(8) H LEU 15 + HG LEU 15 OK 65 65 100 100 4.3-4.6 5.0=100 H LEU 15 + QD1 LEU 17 OK 63 65 100 98 5.6-6.3 10285/2.1=79, 4.0/391=44...(8) H SER 105 - QD1 LEU 17 far 0 99 0 - 8.4-9.5 H LYS 13 - HG LEU 15 far 0 100 0 - 9.0-9.8 H TRP 80 - QD1 LEU 17 far 0 84 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 11190 from cnoeabs.peaks (8.46, 0.84, 25.81 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: H ALA 22 + QD1 LEU 17 OK 100 100 100 100 2.9-3.4 2.9/8126=95...(9) H ALA 22 + HG LEU 15 OK 85 100 85 100 5.5-5.8 ~8125=61, 11188/3.0=54...(11) Violated in 0 structures by 0.00 A. Peak 11191 from cnoeabs.peaks (6.32, 0.96, 41.65 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.69: QE TYR 39 + HB2 LEU 15 OK 69 70 100 100 2.0-2.9 8104/3.1=71, 8101/3.1=65...(12) Violated in 0 structures by 0.00 A. Peak 11192 from cnoeabs.peaks (8.87, 0.96, 41.65 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: H SER 105 + HB2 LEU 15 OK 100 100 100 100 5.3-6.0 10255/3.1=79...(7) H LEU 15 + HB2 LEU 15 OK 82 82 100 100 2.4-2.7 4.0=100 H LYS 13 - HB2 LEU 15 far 0 98 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 11197 from cnoeabs.peaks (8.05, 3.69, 57.82 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: H LYS 88 + HA LEU 83 OK 100 100 100 100 2.7-3.0 10054=100...(14) Violated in 0 structures by 0.00 A. Peak 11198 from cnoeabs.peaks (7.36, 0.60, 26.39 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.99: HH2 TRP 16 + QD1 LEU 83 OK 99 100 100 99 1.9-2.5 11199/2.1=70...(12) HE22 GLN 81 - QD1 LEU 83 far 0 81 0 - 7.8-10.4 Violated in 0 structures by 0.00 A. Peak 11199 from cnoeabs.peaks (7.36, 0.56, 22.31 ppm; 3.88 A increased from 3.65 A): 1 out of 2 assignments used, quality = 0.99: HH2 TRP 16 + QD2 LEU 83 OK 99 100 100 99 3.7-3.9 11198/2.1=69...(12) HE22 GLN 81 - QD2 LEU 83 far 0 90 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 11200 from cnoeabs.peaks (8.80, 0.60, 26.39 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.95: H ILE 90 + QD1 LEU 83 OK 95 99 100 96 2.3-3.8 4.0/10569=70...(5) H ASN 85 - QD1 LEU 83 far 0 79 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 11201 from cnoeabs.peaks (8.78, 0.56, 22.31 ppm; 5.39 A): 2 out of 2 assignments used, quality = 1.00: H ILE 90 + QD2 LEU 83 OK 99 99 100 100 3.4-4.0 4.0/10570=88...(5) H ASN 85 + QD2 LEU 83 OK 67 98 100 69 5.4-6.0 7460/4.9=69 Violated in 0 structures by 0.00 A. Peak 11205 from cnoeabs.peaks (2.34, 0.85, 17.61 ppm; 4.12 A increased from 3.29 A): 1 out of 4 assignments used, quality = 0.89: HB2 ASP 26 + QG2 ILE 11 OK 89 90 100 100 3.9-4.2 8988=88, 8049/2.1=42...(21) HB3 ASP 26 - QG2 ILE 11 far 0 95 0 - 4.7-5.1 HB2 GLU 101 - QG2 ILE 11 far 0 98 0 - 4.9-5.3 HB2 PRO 100 - QG2 ILE 11 far 0 82 0 - 8.1-8.7 Violated in 2 structures by 0.01 A. Peak 11206 from cnoeabs.peaks (2.30, 0.77, 13.56 ppm; 3.51 A): 2 out of 13 assignments used, quality = 0.98: HB2 ASP 26 + QD1 ILE 11 OK 88 90 100 99 1.9-2.9 8050/167=42...(25) HB3 ASP 26 + QD1 ILE 11 OK 82 82 100 100 1.9-2.6 4.0/10322=34...(30) HG2 GLN 72 - QD1 ILE 23 far 0 95 0 - 6.2-6.5 HG2 GLN 49 - QD1 ILE 23 far 0 95 0 - 8.0-8.2 HG2 GLN 72 - QD1 ILE 11 far 0 100 0 - 8.0-8.4 HB2 GLU 75 - QD1 ILE 23 far 0 71 0 - 8.1-8.3 HB3 GLN 72 - QD1 ILE 23 far 0 83 0 - 8.4-8.5 HG3 GLU 54 - QD1 ILE 23 far 0 55 0 - 8.4-8.9 HG2 GLU 101 - QD1 ILE 11 far 0 95 0 - 9.2-10.4 HB3 GLU 75 - QD1 ILE 23 far 0 73 0 - 9.3-9.5 HB2 ASP 26 - QD1 ILE 23 far 0 82 0 - 9.4-10.0 HB3 GLN 72 - QD1 ILE 11 far 0 91 0 - 9.4-9.7 HG3 GLU 101 - QD1 ILE 11 far 0 96 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 11207 from cnoeabs.peaks (2.29, 1.42, 27.04 ppm; 4.51 A increased from 4.01 A): 2 out of 5 assignments used, quality = 0.96: HB2 ASP 26 + HG13 ILE 11 OK 84 84 100 100 2.7-4.5 8050/166=65...(21) HB3 ASP 26 + HG13 ILE 11 OK 75 75 100 100 2.8-4.7 8218/9106=55, ~11205=46...(23) HB2 GLN 19 - HG LEU 17 far 0 29 0 - 7.0-8.3 HG2 GLN 72 - HG13 ILE 11 far 0 100 0 - 8.9-9.3 HG2 GLU 101 - HG13 ILE 11 far 0 98 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 11208 from cnoeabs.peaks (2.29, 1.05, 27.04 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.96: HB2 ASP 26 + HG12 ILE 11 OK 84 84 100 100 3.4-4.5 8050/172=64...(20) HB3 ASP 26 + HG12 ILE 11 OK 75 75 100 100 3.6-4.7 ~11205=44, ~8050=44...(23) HG2 GLN 72 - HG12 ILE 11 far 0 100 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 11209 from cnoeabs.peaks (2.29, 1.63, 42.55 ppm; 3.60 A): 2 out of 5 assignments used, quality = 0.88: HB2 ASP 26 + HB ILE 11 OK 70 71 100 98 2.4-2.6 8050/2.1=54, 4.0/8984=33...(22) HB3 ASP 26 + HB ILE 11 OK 61 61 100 99 3.6-3.9 ~11205=37, ~8050=37...(25) HG2 GLN 72 - HB ILE 11 far 0 100 0 - 7.1-7.4 HB3 GLN 72 - HB ILE 11 far 0 99 0 - 8.9-9.2 HG2 GLU 101 - HB ILE 11 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 11210 from cnoeabs.peaks (0.85, 0.72, 20.00 ppm; 2.75 A): 0 out of 8 assignments used, quality = 0.00: QG2 VAL 6 - QG2 VAL 29 far 0 96 0 - 3.7-5.2 QG1 VAL 6 - QG2 VAL 29 far 0 99 0 - 5.1-7.2 QG2 ILE 11 - QG2 VAL 29 far 0 100 0 - 8.0-8.1 QD1 LEU 109 - QG2 VAL 29 far 0 98 0 - 8.2-20.5 QG1 VAL 69 - QG2 VAL 29 far 0 59 0 - 8.4-8.5 QG2 VAL 25 - QG2 VAL 29 far 0 100 0 - 9.2-9.4 QG1 VAL 103 - QG2 VAL 29 far 0 94 0 - 9.6-10.7 QD1 LEU 51 - QG2 VAL 29 far 0 100 0 - 9.9-10.1 Violated in 20 structures by 1.83 A. Peak 11211 from cnoeabs.peaks (0.85, 0.75, 20.64 ppm; 2.63 A): 0 out of 4 assignments used, quality = 0.00: QG2 VAL 6 - QG1 VAL 29 far 14 96 15 - 3.1-5.9 QG1 VAL 6 - QG1 VAL 29 far 0 99 0 - 5.1-7.9 QD1 LEU 109 - QG1 VAL 29 far 0 98 0 - 8.5-21.9 QG2 ILE 11 - QG1 VAL 29 far 0 100 0 - 9.4-9.5 Violated in 20 structures by 2.33 A. Peak 11212 from cnoeabs.peaks (4.81, 8.89, 55.56 ppm; 4.62 A): 0 out of 0 assignments used, quality = 0.00: Peak 11213 from cnoeabs.peaks (5.26, 0.77, 13.56 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: HA THR 33 + QD1 ILE 11 OK 100 100 100 100 3.8-4.2 936/8213=84, ~9106=55...(12) HA PHE 104 - QD1 ILE 11 far 0 99 0 - 8.7-9.6 HA PHE 104 - QD1 ILE 23 far 0 94 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 11214 from cnoeabs.peaks (8.19, 1.02, 21.57 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: H VAL 29 + QG2 THR 33 OK 100 100 100 100 2.9-3.0 9060=94, 750/8221=61...(14) H PHE 10 - QG2 THR 33 far 0 95 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 11216 from cnoeabs.peaks (3.99, 1.60, 28.69 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: HA ALA 64 + HG13 ILE 67 OK 100 100 100 100 2.8-3.2 8408=95, 9687/1.8=77...(17) Violated in 0 structures by 0.00 A. Peak 11217 from cnoeabs.peaks (1.38, 0.91, 22.20 ppm; 3.25 A): 0 out of 4 assignments used, quality = 0.00: HG13 ILE 11 - QG1 VAL 69 far 0 52 0 - 4.9-5.8 QB ALA 64 - QG1 VAL 69 far 0 93 0 - 5.7-5.9 HB3 LYS 52 - QG1 VAL 69 far 0 91 0 - 7.6-9.7 HD3 LYS 58 - QG1 VAL 69 far 0 81 0 - 8.4-8.6 Violated in 20 structures by 1.55 A. Peak 11218 from cnoeabs.peaks (1.49, 0.91, 22.20 ppm; 4.08 A): 0 out of 13 assignments used, quality = 0.00: QB ALA 73 - QG1 VAL 69 far 0 61 0 - 5.3-5.4 HG LEU 12 - QG1 VAL 14 far 0 38 0 - 5.3-5.6 HG LEU 12 - QG1 VAL 69 far 0 56 0 - 5.6-5.9 QB ALA 73 - QG1 VAL 14 far 0 42 0 - 5.7-6.1 HB2 LEU 36 - QG1 VAL 69 far 0 53 0 - 6.2-6.4 HB ILE 77 - QG1 VAL 14 far 0 39 0 - 6.6-7.1 HD2 LYS 13 - QG1 VAL 14 far 0 58 0 - 7.1-8.9 HB3 LEU 51 - QG1 VAL 69 far 0 87 0 - 7.2-7.7 HD3 LYS 13 - QG1 VAL 69 far 0 82 0 - 7.6-8.5 HD2 LYS 13 - QG1 VAL 69 far 0 82 0 - 7.8-9.1 HD3 LYS 13 - QG1 VAL 14 far 0 58 0 - 8.3-8.9 HB2 LEU 109 - QG1 VAL 14 far 0 57 0 - 8.6-16.2 HB3 LEU 51 - QG1 VAL 14 far 0 62 0 - 9.3-10.4 Violated in 20 structures by 0.15 A. Peak 11219 from cnoeabs.peaks (1.16, 0.92, 22.20 ppm; 3.65 A increased from 3.43 A): 1 out of 11 assignments used, quality = 0.69: HB2 LEU 12 + QG1 VAL 69 OK 69 72 100 96 3.2-3.5 10839=76, 10842/2.1=45...(10) HG3 ARG 66 - QG1 VAL 69 far 0 54 0 - 5.4-6.4 HG2 LYS 13 - QG1 VAL 69 far 0 75 0 - 6.3-7.6 QD1 LEU 36 - QG1 VAL 69 far 0 76 0 - 6.5-6.7 HG3 LYS 13 - QG1 VAL 69 far 0 75 0 - 6.6-7.7 HG2 LYS 13 - QG1 VAL 14 far 0 71 0 - 7.2-7.7 HG3 LYS 13 - QG1 VAL 14 far 0 71 0 - 7.3-8.0 HB2 LYS 98 - QG1 VAL 14 far 0 69 0 - 7.6-9.3 HB2 LEU 12 - QG1 VAL 14 far 0 67 0 - 7.7-8.0 HD2 LYS 84 - QG1 VAL 14 far 0 40 0 - 8.6-12.8 HD3 LYS 52 - QG1 VAL 69 far 0 80 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 11222 from cnoeabs.peaks (5.04, 0.67, 82.91 ppm; 4.88 A): 0 out of 0 assignments used, quality = 0.00: Peak 11223 from cnoeabs.peaks (6.95, 3.10, 30.75 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.91: HD2 HIS 7 + HB2 HIS 7 OK 91 100 100 91 2.7-3.7 4.0=83, 8677/3.0=37 Violated in 0 structures by 0.00 A. Peak 11226 from cnoeabs.peaks (1.13, 5.36, 59.20 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: HB VAL 14 + HA VAL 14 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 13 + HA VAL 14 OK 65 93 90 77 6.4-6.7 ~273=60, 6139/3.0=21...(4) HG3 LYS 13 - HA VAL 14 far 5 93 5 - 6.6-6.8 HB2 LEU 51 - HA VAL 14 far 0 84 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 11227 from cnoeabs.peaks (7.17, 0.95, 22.15 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.99: QD PHE 104 + QG1 VAL 14 OK 99 100 100 99 2.4-3.3 2.2/11228=83...(13) HD1 TRP 16 - QG1 VAL 14 far 0 91 0 - 6.4-6.7 HE21 GLN 27 - QG1 VAL 25 far 0 51 0 - 7.7-7.9 HD1 TRP 60 - QG1 VAL 25 far 0 42 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 11228 from cnoeabs.peaks (7.29, 0.95, 22.15 ppm; 4.08 A): 1 out of 17 assignments used, quality = 0.89: QE PHE 104 + QG1 VAL 14 OK 89 92 100 96 2.2-3.1 2.2/11227=59...(14) QD PHE 99 - QG1 VAL 14 far 0 99 0 - 4.9-5.4 HZ2 TRP 48 - QG2 THR 74 far 0 36 0 - 5.3-5.8 QE PHE 79 - QG1 VAL 14 far 0 96 0 - 5.8-7.7 HH2 TRP 60 - QG1 VAL 25 far 0 30 0 - 6.0-6.3 HZ PHE 10 - QG1 VAL 25 far 0 34 0 - 6.3-6.4 HE3 TRP 48 - QG2 THR 74 far 0 45 0 - 6.7-7.5 QD PHE 99 - QG2 THR 74 far 0 51 0 - 6.8-7.3 H PHE 99 - QG1 VAL 14 far 0 70 0 - 6.8-7.7 HE3 TRP 80 - QG1 VAL 14 far 0 99 0 - 7.0-7.4 HH2 TRP 42 - QG2 THR 74 far 0 48 0 - 7.5-8.3 H ASN 20 - QG1 VAL 14 far 0 92 0 - 8.1-8.4 HE3 TRP 60 - QG1 VAL 25 far 0 49 0 - 8.6-8.9 HE3 TRP 80 - QG2 THR 74 far 0 51 0 - 9.1-9.5 QE PHE 79 - QG2 THR 74 far 0 48 0 - 9.4-10.0 HZ2 TRP 48 - QG1 VAL 25 far 0 34 0 - 9.4-10.0 QE PHE 104 - QG2 THR 74 far 0 45 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 11229 from cnoeabs.peaks (1.12, 5.25, 57.13 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.97: HB VAL 14 + HA PHE 104 OK 97 100 100 97 3.8-4.3 2.1/10244=89...(4) HG2 LYS 13 - HA PHE 104 far 0 79 0 - 5.6-7.3 HG3 LYS 13 - HA PHE 104 far 0 79 0 - 5.6-8.3 Violated in 0 structures by 0.00 A. Peak 11230 from cnoeabs.peaks (2.95, 3.78, 29.83 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 104 + HB3 TRP 16 OK 96 98 100 98 3.3-4.7 4.4/8838=75...(7) HB2 PHE 104 + HB3 TRP 16 OK 95 97 100 98 5.0-6.4 4.4/8838=75...(6) Violated in 0 structures by 0.00 A. Peak 11231 from cnoeabs.peaks (7.16, -0.02, 15.59 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.98: QD PHE 104 + QB ALA 95 OK 95 99 100 96 3.0-3.8 3.8/10131=64...(8) HD1 TRP 16 + QB ALA 95 OK 63 99 80 79 4.8-6.1 10927=57, 5.0/10934=32...(4) Violated in 0 structures by 0.00 A. Peak 11232 from cnoeabs.peaks (3.78, 2.93, 40.59 ppm; 6.00 A): 8 out of 11 assignments used, quality = 1.00: HB3 TRP 16 + HB3 PHE 104 OK 99 100 100 99 3.3-4.7 8838/4.4=75, ~10866=61...(7) HB3 TRP 16 + HB2 PHE 104 OK 99 100 100 99 5.0-6.4 8838/4.4=75, ~10866=61...(6) HB2 PHE 79 + HB3 ASP 82 OK 93 93 100 100 4.6-5.3 ~10372=87, 3.0/10370=85...(7) HA TRP 80 + HB3 ASP 82 OK 89 90 100 100 5.1-5.6 10580/10247=84...(6) HB2 SER 105 + HB3 PHE 104 OK 72 80 100 90 4.5-6.4 ~10731=57, ~10730=40...(6) HB3 SER 105 + HB2 PHE 104 OK 71 79 100 89 6.1-6.6 ~10731=57, 10730/3.0=40...(5) HB3 SER 105 + HB3 PHE 104 OK 70 79 100 89 5.0-5.9 ~10731=57, 10730/3.0=40...(5) HB2 SER 105 + HB2 PHE 104 OK 54 81 75 90 5.7-7.0 ~10731=57, ~10730=40...(6) HA LYS 84 - HB3 ASP 82 far 0 80 0 - 8.0-8.1 HA3 GLY 97 - HB2 PHE 104 far 0 96 0 - 8.9-9.5 HA3 GLY 97 - HB3 PHE 104 far 0 96 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 11233 from cnoeabs.peaks (1.41, 5.32, 56.62 ppm; 5.76 A): 1 out of 2 assignments used, quality = 0.95: HG13 ILE 11 + HA PHE 10 OK 95 95 100 100 3.1-4.7 10287=94, 177/6081=93...(14) QB ALA 64 - HA PHE 10 far 0 77 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 11234 from cnoeabs.peaks (1.05, 5.32, 56.62 ppm; 5.07 A): 3 out of 3 assignments used, quality = 1.00: HG12 ILE 11 + HA PHE 10 OK 100 100 100 100 2.7-3.6 6090/6081=93...(14) QG2 THR 33 + HA PHE 10 OK 70 71 100 98 4.5-4.7 8556/8176=54...(9) QG2 THR 8 + HA PHE 10 OK 68 69 100 99 4.5-4.7 8686/8045=50...(11) Violated in 0 structures by 0.00 A. Peak 11235 from cnoeabs.peaks (5.04, 2.66, 41.66 ppm; 5.26 A): 1 out of 4 assignments used, quality = 0.98: HA GLN 27 + HB3 PHE 10 OK 98 98 100 100 3.1-3.4 9015/2.5=94, 9003/3.0=91...(13) HA GLN 27 - HB3 ASP 65 far 0 68 0 - 7.7-8.0 HA PRO 35 - HB3 PHE 10 far 0 100 0 - 8.2-8.5 HA LEU 17 - HE2 LYS 84 far 0 52 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 11236 from cnoeabs.peaks (5.05, 2.82, 41.66 ppm; 5.84 A): 1 out of 3 assignments used, quality = 0.84: HA GLN 27 + HB2 PHE 10 OK 84 84 100 100 4.3-4.6 11235/1.8=88...(13) HA LEU 17 - HE3 LYS 84 far 0 78 0 - 9.0-10.8 HA PRO 35 - HB2 PHE 10 far 0 100 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 11237 from cnoeabs.peaks (2.14, 7.07, 130.15 ppm; 5.74 A): 1 out of 6 assignments used, quality = 1.00: HB3 GLU 54 + QE PHE 40 OK 100 100 100 100 3.0-3.8 10683/8156=92...(19) HG12 ILE 90 - QE PHE 99 far 0 79 0 - 6.8-8.7 HG2 GLU 110 - QE PHE 40 far 0 90 0 - 7.2-21.2 HB3 GLU 94 - QE PHE 99 far 0 80 0 - 7.4-8.7 HG2 GLU 94 - QE PHE 99 far 0 81 0 - 9.6-10.9 HB2 PRO 35 - QE PHE 40 far 0 59 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 11238 from cnoeabs.peaks (1.46, 7.47, 115.68 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 11239 from cnoeabs.peaks (0.83, 7.19, 127.30 ppm; 6.00 A increased from 5.73 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 36 - HD1 TRP 60 poor 20 57 35 100 6.5-6.6 ~9598=82, ~10352=76...(9) QG2 VAL 6 - HD1 TRP 60 far 10 99 10 - 6.4-9.4 QG1 VAL 6 - HD1 TRP 60 far 10 98 10 - 6.5-8.4 Violated in 4 structures by 0.05 A. Peak 11240 from cnoeabs.peaks (6.74, 7.30, 119.89 ppm; 6.00 A): 0 out of 2 assignments used, quality = 0.00: HD22 ASN 78 - HE3 TRP 80 far 0 100 0 - 8.9-9.4 HE21 GLN 89 - HE3 TRP 80 far 0 100 0 - 9.4-16.8 Violated in 20 structures by 2.98 A. Peak 11241 from cnoeabs.peaks (3.56, 6.88, 124.11 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.84: HD2 PRO 43 + HH2 TRP 80 OK 84 84 100 100 3.3-4.6 1.8/11129=100, 9247=84...(8) Violated in 0 structures by 0.00 A. Peak 11242 from cnoeabs.peaks (2.79, 6.88, 124.11 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 84 + HH2 TRP 80 OK 100 100 100 100 2.9-5.4 11007/2.5=99...(10) HG2 GLN 81 + HH2 TRP 80 OK 53 98 65 84 4.1-7.5 10650/2.4=60...(4) Violated in 0 structures by 0.00 A. Peak 11243 from cnoeabs.peaks (5.12, 6.88, 124.11 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: HA ASN 20 + HH2 TRP 80 OK 98 98 100 100 2.7-3.2 ~8114=77, 9245/11129=76...(8) Violated in 0 structures by 0.00 A. Peak 11244 from cnoeabs.peaks (1.15, 6.88, 124.11 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 11245 from cnoeabs.peaks (1.15, 7.31, 132.56 ppm; 6.00 A): 3 out of 4 assignments used, quality = 1.00: HB2 LYS 98 + QD PHE 99 OK 100 100 100 100 4.2-4.8 1.8/10731=95...(24) HB VAL 14 + QD PHE 99 OK 77 82 100 94 5.6-6.2 10930/9916=47...(7) HD3 LYS 98 + QD PHE 99 OK 66 66 100 100 3.3-5.4 3.5/10731=83...(23) HB2 LEU 12 - QD PHE 99 far 0 72 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 11246 from cnoeabs.peaks (7.68, 7.05, 130.40 ppm; 5.08 A): 2 out of 7 assignments used, quality = 1.00: QD PHE 79 + QE PHE 99 OK 99 99 100 100 2.0-2.5 10841=96, 10846/2.2=88...(21) H LEU 51 + QE PHE 40 OK 82 82 100 100 3.7-4.3 4.6/8156=74, ~10756=41...(15) H TYR 39 - QE PHE 40 far 0 60 0 - 5.9-6.3 HE3 TRP 16 - QE PHE 99 far 0 100 0 - 6.4-7.1 HE22 GLN 96 - QE PHE 99 far 0 59 0 - 8.8-10.4 H GLU 94 - QE PHE 99 far 0 71 0 - 9.0-9.9 H LYS 84 - QE PHE 99 far 0 90 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 11247 from cnoeabs.peaks (1.37, 0.44, 23.32 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.98: HG LEU 17 + QD2 LEU 15 OK 98 98 100 100 1.9-2.5 11251=98, ~10210=75...(14) HG LEU 83 - HG3 LYS 98 far 0 32 0 - 8.7-11.0 HB2 LYS 88 - HG3 LYS 98 far 0 30 0 - 9.1-11.9 HD3 LYS 84 - QD2 LEU 15 far 0 100 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 11248 from cnoeabs.peaks (1.37, 0.12, 23.78 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: HG LEU 17 + QD1 LEU 15 OK 99 99 100 100 3.4-3.9 2.1/10210=100...(14) Violated in 0 structures by 0.00 A. Peak 11249 from cnoeabs.peaks (1.37, 0.96, 41.65 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.99: HG LEU 17 + HB2 LEU 15 OK 99 99 100 100 4.8-5.3 11251/3.1=84, ~10210=64...(15) Violated in 0 structures by 0.00 A. Peak 11250 from cnoeabs.peaks (0.12, 1.38, 26.78 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 15 + HG LEU 17 OK 100 100 100 100 3.4-3.9 10210/2.1=100...(13) QB ALA 22 + HG LEU 17 OK 100 100 100 100 3.6-4.4 8126/2.1=100...(8) QD1 ILE 61 - HG13 ILE 11 far 0 40 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 11251 from cnoeabs.peaks (0.44, 1.38, 26.78 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 15 + HG LEU 17 OK 99 100 100 99 1.9-2.5 11247=56, ~10210=55...(14) QD1 LEU 55 - HG13 ILE 11 far 0 46 0 - 7.3-8.7 QD2 LEU 51 - HG13 ILE 11 far 0 27 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 11252 from cnoeabs.peaks (7.33, 2.18, 33.17 ppm; 4.38 A): 2 out of 6 assignments used, quality = 0.96: QE PHE 104 + HB VAL 102 OK 87 88 100 99 2.3-3.5 ~11147=50, ~10828=40...(15) QD PHE 99 + HB VAL 102 OK 71 72 100 100 3.7-4.1 ~10216=51, 2.7/9007=48...(15) HZ PHE 10 - HG3 GLN 27 far 0 98 0 - 5.0-7.2 HE3 TRP 60 - HG3 GLN 27 far 0 71 0 - 5.9-8.0 QE PHE 79 - HB VAL 102 far 0 80 0 - 8.2-9.1 HH2 TRP 16 - HB VAL 102 far 0 86 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 11254 from cnoeabs.peaks (7.34, 0.84, 22.84 ppm; 3.76 A): 3 out of 8 assignments used, quality = 0.95: QE PHE 104 + QG2 VAL 102 OK 71 82 90 96 3.9-4.5 2.2/11147=40...(16) QD PHE 99 + QG2 VAL 102 OK 63 63 100 99 2.5-3.2 2.7/10216=67...(17) H ASN 20 + QD2 LEU 17 OK 56 63 95 93 4.0-4.4 6237/3.1=48, 8115/3.1=42...(12) QE PHE 79 - QG2 VAL 102 far 0 73 0 - 7.2-8.1 HH2 TRP 16 - QG2 VAL 102 far 0 94 0 - 7.5-8.4 QE PHE 104 - QD2 LEU 17 far 0 63 0 - 9.2-9.9 HE3 TRP 80 - QD2 LEU 17 far 0 47 0 - 9.4-10.1 HH2 TRP 16 - QD2 LEU 17 far 0 74 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 11255 from cnoeabs.peaks (7.26, 0.29, 21.33 ppm; 3.70 A): 1 out of 5 assignments used, quality = 0.51: QE PHE 10 + QD2 LEU 55 OK 51 62 100 83 3.3-3.6 8237/8248=26...(13) H PHE 99 - QG2 VAL 76 far 0 100 0 - 4.6-5.3 HH2 TRP 60 - QD2 LEU 55 far 0 63 0 - 5.5-5.7 HZ3 TRP 60 - QD2 LEU 55 far 0 33 0 - 6.7-7.1 HZ PHE 79 - QG2 VAL 76 far 0 99 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 11256 from cnoeabs.peaks (7.67, 0.29, 21.33 ppm; 4.61 A increased from 4.34 A): 2 out of 9 assignments used, quality = 0.98: QD PHE 79 + QG2 VAL 76 OK 97 97 100 100 4.0-4.7 9920/2393=62...(17) H GLU 54 + QD2 LEU 55 OK 32 35 100 92 4.2-4.9 9469/2.1=51, 6689/4.5=45...(9) HE3 TRP 16 - QG2 VAL 76 far 0 99 0 - 5.3-5.7 H VAL 69 - QD2 LEU 55 far 0 60 0 - 6.5-6.8 H LEU 51 - QD2 LEU 55 far 0 49 0 - 6.6-6.9 HE22 GLN 96 - QG2 VAL 76 far 0 73 0 - 7.1-8.0 H TYR 39 - QD2 LEU 55 far 0 30 0 - 9.3-9.5 H VAL 69 - QG2 VAL 76 far 0 99 0 - 9.4-9.6 H GLU 94 - QG2 VAL 76 far 0 84 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 11257 from cnoeabs.peaks (7.51, 0.29, 21.33 ppm; 4.64 A increased from 4.13 A): 1 out of 4 assignments used, quality = 0.86: H GLU 75 + QG2 VAL 76 OK 86 88 100 97 4.5-4.5 4.0/10501=67...(7) H ALA 95 - QG2 VAL 76 far 0 82 0 - 7.2-7.7 H LEU 83 - QG2 VAL 76 far 0 97 0 - 8.7-9.3 HZ2 TRP 42 - QG2 VAL 76 far 0 100 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 11258 from cnoeabs.peaks (7.29, 3.70, 57.28 ppm; 4.59 A): 2 out of 7 assignments used, quality = 0.94: QE PHE 104 + HA GLN 96 OK 92 95 100 97 2.0-2.8 2.2/10696=68...(9) H PHE 99 + HA GLN 96 OK 28 63 100 44 3.4-4.2 10141/3.6=35, 4.7/7244=13 QD PHE 99 - HA GLN 96 far 15 100 15 - 5.0-5.7 HZ PHE 10 - HA LEU 55 far 0 68 0 - 6.2-6.9 HH2 TRP 60 - HA LEU 55 far 0 52 0 - 6.9-7.4 QE PHE 79 - HA GLN 96 far 0 98 0 - 7.0-8.8 HE3 TRP 60 - HA LEU 55 far 0 88 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 11265 from cnoeabs.peaks (1.88, 4.24, 60.97 ppm; 3.92 A): 2 out of 5 assignments used, quality = 0.98: HB3 LEU 12 + HA VAL 102 OK 96 98 100 98 2.7-3.2 8771/3.2=30...(17) HB VAL 103 + HA VAL 102 OK 41 100 45 90 4.5-5.7 2.1/8587=67...(5) HB VAL 76 - HA VAL 102 far 0 77 0 - 6.5-6.8 HG3 PRO 35 - HA ILE 28 far 0 63 0 - 9.5-9.6 HB3 GLN 96 - HA VAL 102 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 11266 from cnoeabs.peaks (1.14, 4.24, 60.97 ppm; 5.45 A increased from 5.13 A): 1 out of 9 assignments used, quality = 0.96: HB VAL 14 + HA VAL 102 OK 96 96 100 100 4.9-5.3 8528/3.2=84, ~8095=72...(8) HG2 LYS 13 - HA VAL 102 poor 20 99 20 - 5.6-6.4 HG3 LYS 13 - HA VAL 102 far 0 99 0 - 6.1-8.1 QD1 LEU 36 - HA ILE 28 far 0 78 0 - 7.4-7.5 QD1 LEU 36 - HA VAL 29 far 0 72 0 - 8.0-8.1 HG2 LYS 13 - HA ILE 28 far 0 78 0 - 8.8-9.4 HG3 LYS 13 - HA ILE 28 far 0 78 0 - 8.8-9.5 QG2 THR 5 - HA VAL 29 far 0 75 0 - 9.2-11.7 HD3 LYS 98 - HA VAL 102 far 0 85 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 11267 from cnoeabs.peaks (7.66, 7.17, 131.44 ppm; 6.00 A): 2 out of 5 assignments used, quality = 0.98: HE3 TRP 16 + QD PHE 104 OK 89 91 100 98 3.0-4.0 4.2/10866=50...(10) HE22 GLN 96 + QD PHE 104 OK 83 83 100 100 1.9-2.2 10959=88, 10958/2.2=88...(18) H GLU 94 - QD PHE 104 far 0 91 0 - 6.6-7.5 QD PHE 79 - QD PHE 104 far 0 83 0 - 6.7-7.8 HD21 ASN 108 - QD PHE 104 far 0 85 0 - 9.0-15.4 Violated in 0 structures by 0.00 A. Peak 11268 from cnoeabs.peaks (4.25, 1.86, 43.12 ppm; 6.00 A): 1 out of 4 assignments used, quality = 0.99: HA VAL 102 + HB3 LEU 12 OK 99 99 100 100 2.7-3.2 11269/1.8=84...(17) HA LEU 109 - HB2 LEU 17 far 4 86 5 - 6.2-21.5 HA ALA 24 - HB3 LEU 12 far 0 100 0 - 7.6-8.0 HB THR 74 - HB3 LEU 12 far 0 87 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 11269 from cnoeabs.peaks (4.25, 1.18, 43.12 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.99: HA VAL 102 + HB2 LEU 12 OK 99 99 100 100 4.4-4.9 11268/1.8=84...(17) HA ALA 24 - HB2 LEU 12 far 5 100 5 - 6.6-6.9 HB THR 74 - HB2 LEU 12 far 0 87 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 11270 from cnoeabs.peaks (7.17, 7.68, 119.93 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 104 + HE3 TRP 16 OK 99 100 100 99 3.0-4.0 10866/4.2=61...(10) HD1 TRP 16 + HE3 TRP 16 OK 98 98 100 100 5.1-5.1 5.1=100 Violated in 0 structures by 0.00 A. Peak 11271 from cnoeabs.peaks (3.23, 0.70, 22.15 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.99: HB2 TRP 80 + QG2 VAL 21 OK 99 99 100 100 2.6-3.0 11272/2.1=91, ~11273=70...(11) Violated in 0 structures by 0.00 A. Peak 11272 from cnoeabs.peaks (3.23, 0.31, 20.01 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.99: HB2 TRP 80 + QG1 VAL 21 OK 99 100 100 100 3.5-3.7 1.8/11273=79...(11) Violated in 0 structures by 0.00 A. Peak 11273 from cnoeabs.peaks (3.48, 0.31, 20.01 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: HB3 TRP 80 + QG1 VAL 21 OK 100 100 100 100 2.7-2.8 1.8/11272=75...(13) HA PRO 43 - QG1 VAL 21 far 0 59 0 - 5.3-5.4 HA ALA 95 - QG1 VAL 21 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 11274 from cnoeabs.peaks (3.48, 0.70, 22.15 ppm; 5.94 A): 1 out of 3 assignments used, quality = 1.00: HB3 TRP 80 + QG2 VAL 21 OK 100 100 100 100 2.9-3.2 11273/2.1=100...(9) HA PRO 43 - QG2 VAL 21 far 0 59 0 - 7.4-7.5 HA ALA 95 - QG2 VAL 21 far 0 100 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 11275 from cnoeabs.peaks (1.55, 5.31, 52.61 ppm; 5.99 A increased from 5.32 A): 1 out of 5 assignments used, quality = 0.95: HG LEU 36 + HA ASP 26 OK 95 95 100 100 5.6-6.0 3.0/8161=93...(13) HG LEU 12 - HA ASP 26 far 0 91 0 - 8.3-8.5 HB3 LEU 109 - HA ASP 26 far 0 100 0 - 9.1-20.0 QB ALA 73 - HA ASP 26 far 0 87 0 - 9.3-9.7 HG LEU 109 - HA ASP 26 far 0 97 0 - 9.7-22.0 Violated in 0 structures by 0.00 A. Peak 11276 from cnoeabs.peaks (2.16, 5.31, 52.61 ppm; 5.43 A increased from 4.83 A): 2 out of 3 assignments used, quality = 0.94: HB2 PRO 35 + HA ASP 26 OK 85 85 100 100 5.1-5.2 2.3/8549=99, 3.9/8547=82...(6) HG3 GLN 27 + HA ASP 26 OK 59 84 75 94 5.3-6.6 4.9/6322=78, 3.0/9004=41...(6) HB3 GLU 54 - HA ASP 26 far 0 96 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 11277 from cnoeabs.peaks (2.02, 5.31, 52.61 ppm; 5.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 11278 from cnoeabs.peaks (1.89, 5.31, 52.61 ppm; 5.14 A): 0 out of 3 assignments used, quality = 0.00: HG3 PRO 35 - HA ASP 26 far 0 96 0 - 6.6-6.7 HB VAL 103 - HA ASP 26 far 0 96 0 - 7.5-9.5 HB3 LEU 12 - HA ASP 26 far 0 88 0 - 8.4-8.5 Violated in 20 structures by 1.03 A. Peak 11279 from cnoeabs.peaks (3.95, 5.31, 52.61 ppm; 5.67 A increased from 5.33 A): 1 out of 1 assignment used, quality = 1.00: HB THR 33 + HA ASP 26 OK 100 100 100 100 5.4-5.7 8217/3.0=99...(6) Violated in 1 structures by 0.00 A. Peak 11280 from cnoeabs.peaks (1.56, 1.97, 31.64 ppm; 3.47 A): 0 out of 17 assignments used, quality = 0.00: HG LEU 36 - HB3 GLN 27 far 0 100 0 - 4.3-4.6 HG LEU 36 - HB2 GLN 27 far 0 100 0 - 4.4-5.0 HG LEU 12 - HB VAL 69 far 0 44 0 - 5.1-5.5 HB2 ARG 66 - HB VAL 69 far 0 63 0 - 6.4-6.5 HB2 LEU 55 - HB VAL 69 far 0 41 0 - 7.4-7.6 HB3 LYS 58 - HB2 GLN 27 far 0 98 0 - 7.5-7.8 QB ALA 62 - HB2 GLN 27 far 0 99 0 - 7.9-8.3 HB3 LYS 58 - HB3 GLN 27 far 0 98 0 - 8.2-8.7 HG LEU 36 - HB VAL 69 far 0 80 0 - 8.4-8.6 HB3 LYS 13 - HB VAL 69 far 0 47 0 - 8.4-9.7 HB2 LEU 55 - HB2 GLN 27 far 0 59 0 - 8.6-9.0 HB2 LEU 55 - HB3 GLN 27 far 0 59 0 - 9.1-10.0 HB2 ARG 66 - HB2 GLN 27 far 0 87 0 - 9.2-9.8 QB ALA 62 - HB VAL 69 far 0 77 0 - 9.3-9.5 HG13 ILE 67 - HB VAL 69 far 0 50 0 - 9.3-9.5 QB ALA 62 - HB3 GLN 27 far 0 98 0 - 9.4-9.8 HG13 ILE 77 - HB VAL 69 far 0 78 0 - 9.9-10.2 Violated in 20 structures by 0.37 A. Peak 11282 from cnoeabs.peaks (8.69, 3.61, 46.79 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 11283 from cnoeabs.peaks (8.18, 3.52, 63.05 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.54: HE3 TRP 42 + HA PRO 43 OK 54 96 100 57 2.4-2.6 5.1/10713=30...(4) Violated in 0 structures by 0.00 A. Peak 11284 from cnoeabs.peaks (7.35, 1.63, 28.67 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: HE22 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.4-4.3 4.5=100 HZ PHE 10 + HD2 LYS 58 OK 69 72 100 96 5.1-6.2 ~9573=76, 11045/9396=49...(8) HZ2 TRP 48 - HG13 ILE 67 far 0 56 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 11285 from cnoeabs.peaks (0.78, 1.43, 26.43 ppm; 2.85 A): 1 out of 8 assignments used, quality = 0.92: QG2 VAL 69 + HG LEU 70 OK 92 100 100 92 2.0-2.2 8577/2.1=39...(14) HG2 LYS 52 - HG LEU 70 far 0 98 0 - 3.7-6.3 QD1 ILE 67 - HG LEU 70 far 0 91 0 - 4.5-4.7 QD1 ILE 23 - HG LEU 70 far 0 84 0 - 5.9-6.2 HB3 LEU 55 - HG LEU 70 far 0 99 0 - 6.2-6.7 QD2 LEU 36 - HG LEU 70 far 0 99 0 - 7.1-7.4 QG2 ILE 23 - HG LEU 70 far 0 88 0 - 8.2-8.4 QD1 ILE 11 - HG LEU 70 far 0 97 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 11286 from cnoeabs.peaks (0.89, 1.43, 26.43 ppm; 3.92 A increased from 3.13 A): 1 out of 3 assignments used, quality = 0.67: QD1 LEU 51 + HG LEU 70 OK 67 68 100 99 3.8-3.9 11287/2.1=78, ~9410=53...(13) QG1 VAL 69 - HG LEU 70 far 0 100 0 - 4.8-5.0 QG2 ILE 67 - HG LEU 70 far 0 99 0 - 5.6-5.9 Violated in 1 structures by 0.00 A. Peak 11287 from cnoeabs.peaks (0.90, -0.14, 20.06 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.59: QD1 LEU 51 + QD2 LEU 70 OK 59 59 100 100 3.2-3.4 2.1/9410=80...(15) QG1 VAL 69 - QD2 LEU 70 far 0 100 0 - 5.4-5.5 QG2 ILE 67 - QD2 LEU 70 far 0 100 0 - 5.8-5.9 QG2 VAL 103 - QD2 LEU 70 far 0 100 0 - 9.4-10.7 QG1 VAL 103 - QD2 LEU 70 far 0 85 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 11288 from cnoeabs.peaks (0.29, 3.47, 28.94 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.97: QG1 VAL 21 + HB3 TRP 80 OK 94 94 100 100 2.7-2.8 11273=94, 11272/1.8=94...(13) QG2 VAL 76 + HB3 TRP 80 OK 58 100 100 58 6.0-6.2 10003/7165=36, ~9959=24 HG2 LYS 98 - HB3 TRP 80 far 0 59 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 11289 from cnoeabs.peaks (0.68, 3.24, 28.94 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.92: QG2 VAL 21 + HB2 TRP 80 OK 92 92 100 100 2.6-3.0 2.1/11272=100, 11271=91...(12) QD1 ILE 90 - HB2 TRP 80 poor 20 96 70 29 5.7-6.9 10685/2534=28 Violated in 0 structures by 0.00 A. Peak 11290 from cnoeabs.peaks (9.47, 3.47, 28.94 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.97: H GLN 81 + HB3 TRP 80 OK 97 97 100 100 2.5-2.7 4.6=100 Violated in 0 structures by 0.00 A. Peak 11291 from cnoeabs.peaks (9.47, 7.30, 119.89 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.96: H GLN 81 + HE3 TRP 80 OK 96 96 100 100 2.2-2.4 10619=93, 3.0/10659=72...(9) Violated in 0 structures by 0.00 A. Peak 11293 from cnoeabs.peaks (1.24, 1.69, 35.33 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 83 + HB3 LYS 88 OK 99 100 100 99 1.9-3.7 3.1/10565=64...(19) HG2 LYS 88 + HB3 LYS 88 OK 61 61 100 100 2.3-3.0 3.0=100 HD2 LYS 84 - HB3 LYS 88 far 0 70 0 - 6.3-10.3 HG2 LYS 84 - HB3 LYS 88 far 0 79 0 - 6.6-9.5 HG13 ILE 23 - HB VAL 25 far 0 92 0 - 7.7-8.0 HG12 ILE 28 - HB VAL 25 far 0 58 0 - 9.8-10.0 HB ILE 61 - HB VAL 25 far 0 53 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 5502 from cnoeabs.peaks (3.10, 6.96, 120.16 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + HD2 HIS 7 OK 100 100 100 100 2.7-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (3.04, 6.96, 120.16 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 7 + HD2 HIS 7 OK 100 100 100 100 2.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 5504 from cnoeabs.peaks (6.96, 6.96, 120.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 7 + HD2 HIS 7 OK 100 100 - 100 Peak 5508 from cnoeabs.peaks (5.32, 7.04, 131.16 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 10 + QD PHE 10 OK 100 100 100 100 3.2-3.2 3.7=100 HA ASP 26 - QD PHE 10 far 0 99 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 5509 from cnoeabs.peaks (2.81, 7.04, 131.16 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 10 + QD PHE 10 OK 100 100 100 100 2.6-2.6 2.5=100 HD2 ARG 66 - QD PHE 10 far 0 91 0 - 6.4-8.7 Violated in 0 structures by 0.00 A. Peak 5510 from cnoeabs.peaks (2.66, 7.04, 131.16 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 10 + QD PHE 10 OK 100 100 100 100 2.3-2.3 2.5=100 HB3 ASP 65 + QD PHE 10 OK 94 99 100 95 3.9-4.1 3.0/10466=53...(6) HG3 GLN 72 - QD PHE 10 far 0 83 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 5511 from cnoeabs.peaks (7.04, 7.04, 131.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 10 + QD PHE 10 OK 100 100 - 100 Peak 5512 from cnoeabs.peaks (7.25, 7.04, 131.16 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 10 + QD PHE 10 OK 100 100 100 100 2.2-2.2 2.2=100 HH2 TRP 60 - QD PHE 10 far 0 98 0 - 4.2-4.5 HZ3 TRP 60 - QD PHE 10 far 0 80 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 5514 from cnoeabs.peaks (7.04, 7.25, 131.12 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.99: * QD PHE 10 + QE PHE 10 OK 99 99 100 100 2.2-2.2 2.2=100 H LYS 58 - QE PHE 10 far 0 81 0 - 6.7-7.0 HD21 ASN 68 - QE PHE 10 far 0 94 0 - 7.8-8.3 QE PHE 40 - QE PHE 10 far 0 80 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 5515 from cnoeabs.peaks (7.25, 7.25, 131.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 10 + QE PHE 10 OK 100 100 - 100 Peak 5516 from cnoeabs.peaks (7.32, 7.25, 131.12 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 10 + QE PHE 10 OK 100 100 100 100 2.2-2.2 2.2=100 HE3 TRP 60 - QE PHE 10 far 0 92 0 - 4.2-4.4 Violated in 0 structures by 0.00 A. Peak 5517 from cnoeabs.peaks (7.04, 7.32, 129.98 ppm; 5.10 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 10 + HZ PHE 10 OK 100 100 100 100 3.8-3.8 3.8=100 H LYS 58 - HZ PHE 10 far 0 82 0 - 7.8-8.2 HD21 ASN 68 - HZ PHE 10 far 0 95 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 5518 from cnoeabs.peaks (7.25, 7.32, 129.98 ppm; 3.62 A): 3 out of 3 assignments used, quality = 1.00: * QE PHE 10 + HZ PHE 10 OK 100 100 100 100 2.2-2.2 2.2=100 HH2 TRP 60 + HZ PHE 10 OK 62 99 100 62 3.3-3.6 5664/2.2=21, ~5661=16...(7) HZ3 TRP 60 + HZ PHE 10 OK 42 80 100 53 2.4-2.6 5656/2.2=20...(6) Violated in 0 structures by 0.00 A. Peak 5519 from cnoeabs.peaks (7.32, 7.32, 129.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 10 + HZ PHE 10 OK 100 100 - 100 Peak 5521 from cnoeabs.peaks (3.13, 7.15, 127.26 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 16 + HD1 TRP 16 OK 100 100 100 100 2.5-2.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 5522 from cnoeabs.peaks (3.78, 7.15, 127.26 ppm; 5.70 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TRP 16 + HD1 TRP 16 OK 100 100 100 100 3.5-3.8 3.9=100 HA TRP 80 - HD1 TRP 16 far 0 100 0 - 7.0-8.7 HB2 SER 105 - HD1 TRP 16 far 0 71 0 - 7.8-11.7 HB3 SER 105 - HD1 TRP 16 far 0 69 0 - 8.7-10.5 HA LYS 84 - HD1 TRP 16 far 0 82 0 - 8.9-12.4 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (7.68, 7.68, 119.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 16 + HE3 TRP 16 OK 100 100 - 100 Peak 5530 from cnoeabs.peaks (7.45, 7.68, 119.97 ppm; 5.77 A): 2 out of 3 assignments used, quality = 1.00: * HZ3 TRP 16 + HE3 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 HZ2 TRP 16 + HE3 TRP 16 OK 84 84 100 100 5.0-5.0 5.0=100 H GLY 97 - HE3 TRP 16 far 0 93 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 5534 from cnoeabs.peaks (7.68, 7.45, 121.04 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: * HE3 TRP 16 + HZ3 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 QD PHE 79 + HZ3 TRP 16 OK 99 100 100 100 3.0-4.3 9920/10880=60...(9) H GLU 94 - HZ3 TRP 16 far 0 69 0 - 7.9-9.3 H LYS 84 - HZ3 TRP 16 far 0 89 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 5535 from cnoeabs.peaks (7.45, 7.45, 121.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 16 + HZ3 TRP 16 OK 100 100 - 100 Peak 5537 from cnoeabs.peaks (7.36, 7.45, 121.04 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 16 + HZ3 TRP 16 OK 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5541 from cnoeabs.peaks (7.48, 7.48, 115.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 16 + HZ2 TRP 16 OK 100 100 - 100 Peak 5542 from cnoeabs.peaks (7.36, 7.48, 115.73 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 16 + HZ2 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 81 - HZ2 TRP 16 far 0 85 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 5545 from cnoeabs.peaks (7.45, 7.36, 124.14 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * HZ3 TRP 16 + HH2 TRP 16 OK 100 100 100 100 2.4-2.4 2.4=100 HZ2 TRP 16 + HH2 TRP 16 OK 84 84 100 100 2.5-2.5 2.5=100 HE22 GLN 89 - HH2 TRP 16 far 0 97 0 - 8.5-13.7 H GLY 97 - HH2 TRP 16 far 0 93 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 5546 from cnoeabs.peaks (7.48, 7.36, 124.14 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HZ2 TRP 16 + HH2 TRP 16 OK 100 100 100 100 2.5-2.5 2.5=100 HZ3 TRP 16 + HH2 TRP 16 OK 69 69 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5547 from cnoeabs.peaks (7.36, 7.36, 124.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 16 + HH2 TRP 16 OK 100 100 - 100 Peak 5549 from cnoeabs.peaks (2.03, 6.61, 133.02 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 39 + QD TYR 39 OK 100 100 100 100 2.3-2.7 2.5=100 QE MET 92 - QD TYR 39 far 0 100 0 - 8.8-9.5 HG2 PRO 35 - QD TYR 39 far 0 79 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 5550 from cnoeabs.peaks (2.51, 6.61, 133.02 ppm; 5.23 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 39 + QD TYR 39 OK 100 100 100 100 2.3-2.5 2.5=100 HE3 LYS 13 - QD TYR 39 far 13 85 15 - 4.6-6.5 Violated in 0 structures by 0.00 A. Peak 5551 from cnoeabs.peaks (6.61, 6.61, 133.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + QD TYR 39 OK 100 100 - 100 Peak 5552 from cnoeabs.peaks (6.35, 6.61, 133.02 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 39 + QD TYR 39 OK 100 100 100 100 2.2-2.2 2.2=100 HE21 GLN 50 - QD TYR 39 far 0 89 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 5553 from cnoeabs.peaks (6.61, 6.35, 117.96 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 39 + QE TYR 39 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5554 from cnoeabs.peaks (6.35, 6.35, 117.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 39 + QE TYR 39 OK 100 100 - 100 Peak 5555 from cnoeabs.peaks (5.03, 7.12, 132.45 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 40 + QD PHE 40 OK 100 100 100 100 2.1-2.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 5556 from cnoeabs.peaks (2.66, 7.12, 132.45 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 40 + QD PHE 40 OK 100 100 100 100 2.3-2.3 2.5=100 Violated in 0 structures by 0.00 A. Peak 5557 from cnoeabs.peaks (3.39, 7.12, 132.45 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 40 + QD PHE 40 OK 100 100 100 100 2.5-2.7 2.5=100 HB3 TRP 48 - QD PHE 40 far 0 100 0 - 6.7-7.6 HA ILE 77 - QD PHE 40 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 5558 from cnoeabs.peaks (7.12, 7.12, 132.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 40 + QD PHE 40 OK 100 100 - 100 Peak 5559 from cnoeabs.peaks (7.06, 7.12, 132.45 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 40 + QD PHE 40 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 40 - QD PHE 40 far 0 85 0 - 3.8-3.8 Violated in 0 structures by 0.00 A. Peak 5561 from cnoeabs.peaks (7.12, 7.06, 130.20 ppm; 2.89 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 40 + QE PHE 40 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 40 + QE PHE 40 OK 69 69 100 100 2.2-2.2 2.2=100 H LYS 98 - QE PHE 99 far 0 81 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 5562 from cnoeabs.peaks (7.06, 7.06, 130.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 40 + QE PHE 40 OK 100 100 - 100 QE PHE 99 + QE PHE 99 OK 81 81 - 100 Peak 5563 from cnoeabs.peaks (7.09, 7.06, 130.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: QE PHE 40 + QE PHE 40 OK 87 87 - 100 Reference assignment not found: HZ PHE 40 - QE PHE 40 Peak 5565 from cnoeabs.peaks (7.06, 7.09, 128.43 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: HZ PHE 40 + HZ PHE 40 OK 85 85 - 100 Reference assignment not found: QE PHE 40 - HZ PHE 40 Peak 5566 from cnoeabs.peaks (7.09, 7.09, 128.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 40 + HZ PHE 40 OK 100 100 - 100 Peak 5568 from cnoeabs.peaks (2.38, 6.90, 131.10 ppm; 5.43 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 41 + QD PHE 41 OK 100 100 100 100 2.3-2.6 2.5=100 HB3 LEU 17 + QD PHE 41 OK 45 90 50 99 5.8-6.4 ~11146=60, ~10830=60...(8) HG2 GLN 50 - QD PHE 41 far 0 99 0 - 7.6-8.6 HG3 GLN 19 - QD PHE 41 far 0 99 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 5569 from cnoeabs.peaks (3.03, 6.90, 131.10 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 41 + QD PHE 41 OK 100 100 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 5570 from cnoeabs.peaks (6.90, 6.90, 131.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 41 + QD PHE 41 OK 100 100 - 100 Peak 5571 from cnoeabs.peaks (6.96, 6.90, 131.10 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 41 + QD PHE 41 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 19 - QD PHE 41 far 0 82 0 - 8.2-12.4 HD22 ASN 108 - QD PHE 41 far 0 99 0 - 8.4-20.8 Violated in 0 structures by 0.00 A. Peak 5573 from cnoeabs.peaks (6.90, 6.96, 131.04 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 41 + QE PHE 41 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 19 - QE PHE 41 far 0 73 0 - 6.9-12.2 H LEU 17 - QE PHE 41 far 0 94 0 - 7.0-7.4 HH2 TRP 80 - QE PHE 41 far 0 80 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 5574 from cnoeabs.peaks (6.96, 6.96, 131.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 41 + QE PHE 41 OK 100 100 - 100 Peak 5575 from cnoeabs.peaks (6.83, 6.96, 131.04 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HZ PHE 41 + QE PHE 41 OK 100 100 100 100 2.2-2.2 2.2=100 HD1 TRP 42 - QE PHE 41 far 0 100 0 - 6.6-8.3 HZ2 TRP 80 - QE PHE 41 far 0 86 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 5577 from cnoeabs.peaks (6.96, 6.83, 129.42 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.99: * QE PHE 41 + HZ PHE 41 OK 99 99 100 100 2.2-2.2 2.2=100 HD22 ASN 108 - HZ PHE 41 far 0 98 0 - 6.6-21.4 HE22 GLN 19 - HZ PHE 41 far 0 80 0 - 8.2-14.7 Violated in 0 structures by 0.00 A. Peak 5578 from cnoeabs.peaks (6.83, 6.83, 129.42 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 41 + HZ PHE 41 OK 99 99 - 100 Peak 5580 from cnoeabs.peaks (3.17, 6.83, 127.11 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: HB3 TRP 42 + HD1 TRP 42 OK 100 100 100 100 2.9-3.0 3.9=100 * HB2 TRP 42 + HD1 TRP 42 OK 100 100 100 100 3.9-3.9 3.9=100 HB3 ASP 46 - HD1 TRP 42 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 5581 from cnoeabs.peaks (3.17, 6.83, 127.11 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TRP 42 + HD1 TRP 42 OK 100 100 100 100 2.9-3.0 3.9=100 HB2 TRP 42 + HD1 TRP 42 OK 100 100 100 100 3.9-3.9 3.9=100 HB3 ASP 46 - HD1 TRP 42 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 5582 from cnoeabs.peaks (6.83, 6.83, 127.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 42 + HD1 TRP 42 OK 100 100 - 100 Peak 5588 from cnoeabs.peaks (8.16, 8.16, 120.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 42 + HE3 TRP 42 OK 100 100 - 100 Peak 5589 from cnoeabs.peaks (7.34, 8.16, 120.29 ppm; 6.00 A): 1 out of 4 assignments used, quality = 1.00: * HZ3 TRP 42 + HE3 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 81 - HE3 TRP 42 far 0 100 0 - 7.5-12.3 HE3 TRP 80 - HE3 TRP 42 far 0 67 0 - 7.9-8.3 HE22 GLN 50 - HE3 TRP 42 far 0 96 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 5593 from cnoeabs.peaks (8.16, 7.34, 121.96 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 42 + HZ3 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5594 from cnoeabs.peaks (7.34, 7.34, 121.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 42 + HZ3 TRP 42 OK 100 100 - 100 Peak 5596 from cnoeabs.peaks (7.28, 7.34, 121.96 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HH2 TRP 42 + HZ3 TRP 42 OK 100 100 100 100 2.4-2.4 2.4=100 HE3 TRP 48 - HZ3 TRP 42 far 0 100 0 - 6.7-8.0 HE3 TRP 80 - HZ3 TRP 42 far 0 85 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 5600 from cnoeabs.peaks (7.51, 7.51, 114.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 42 + HZ2 TRP 42 OK 100 100 - 100 Peak 5601 from cnoeabs.peaks (7.28, 7.51, 114.90 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HH2 TRP 42 + HZ2 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 HE3 TRP 80 + HZ2 TRP 42 OK 21 85 45 54 3.6-4.6 ~10777=18, ~10723=16...(6) H ASN 20 - HZ2 TRP 42 far 0 68 0 - 9.6-10.6 HE3 TRP 48 - HZ2 TRP 42 far 0 100 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 5604 from cnoeabs.peaks (7.34, 7.28, 124.57 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HZ3 TRP 42 + HH2 TRP 42 OK 100 100 100 100 2.4-2.4 2.4=100 HE22 GLN 81 - HH2 TRP 42 far 0 100 0 - 4.8-9.0 HE3 TRP 80 - HH2 TRP 42 far 0 67 0 - 6.0-7.0 Violated in 0 structures by 0.00 A. Peak 5605 from cnoeabs.peaks (7.51, 7.28, 124.57 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 42 + HH2 TRP 42 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5606 from cnoeabs.peaks (7.28, 7.28, 124.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 42 + HH2 TRP 42 OK 100 100 - 100 Peak 5607 from cnoeabs.peaks (6.70, 6.70, 125.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 48 + HD1 TRP 48 OK 100 100 - 100 Peak 5613 from cnoeabs.peaks (7.27, 7.27, 120.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 TRP 48 + HE3 TRP 48 OK 100 100 - 100 HE3 TRP 60 + HE3 TRP 60 OK 34 34 - 100 Peak 5614 from cnoeabs.peaks (6.94, 7.27, 120.40 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HZ3 TRP 48 + HE3 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 H ILE 61 - HE3 TRP 60 far 0 30 0 - 4.9-5.0 HD2 HIS 7 - HE3 TRP 60 far 0 45 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 5618 from cnoeabs.peaks (7.27, 6.94, 121.94 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 48 + HZ3 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 HH2 TRP 42 - HZ3 TRP 48 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 5619 from cnoeabs.peaks (6.94, 6.94, 121.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 48 + HZ3 TRP 48 OK 100 100 - 100 Peak 5621 from cnoeabs.peaks (7.07, 6.94, 121.94 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 48 + HZ3 TRP 48 OK 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5624 from cnoeabs.peaks (6.94, 7.32, 114.28 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 48 + HZ2 TRP 48 OK 100 100 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 5625 from cnoeabs.peaks (7.32, 7.32, 114.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 48 + HZ2 TRP 48 OK 100 100 - 100 Peak 5626 from cnoeabs.peaks (7.07, 7.32, 114.28 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 48 + HZ2 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 72 - HZ2 TRP 48 far 0 97 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 5629 from cnoeabs.peaks (6.94, 7.07, 124.04 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 48 + HH2 TRP 48 OK 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5630 from cnoeabs.peaks (7.32, 7.07, 124.04 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 48 + HH2 TRP 48 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5631 from cnoeabs.peaks (7.07, 7.07, 124.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 48 + HH2 TRP 48 OK 100 100 - 100 Peak 5632 from cnoeabs.peaks (4.21, 7.12, 119.26 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.3-4.2 4.5=100 HA ALA 62 - HD2 HIS 59 far 0 88 0 - 7.9-11.2 Violated in 0 structures by 0.00 A. Peak 5633 from cnoeabs.peaks (3.18, 7.12, 119.26 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.7-4.0 3.9=100 HB3 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.9-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 5634 from cnoeabs.peaks (3.18, 7.12, 119.26 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.9-4.0 3.9=100 HB2 HIS 59 + HD2 HIS 59 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 5635 from cnoeabs.peaks (7.12, 7.12, 119.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 59 + HD2 HIS 59 OK 100 100 - 100 Peak 5639 from cnoeabs.peaks (4.51, 7.20, 127.30 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 60 + HD1 TRP 60 OK 100 100 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 5640 from cnoeabs.peaks (2.97, 7.20, 127.30 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 60 + HD1 TRP 60 OK 100 100 100 100 2.7-2.7 3.9=100 HE3 LYS 58 - HD1 TRP 60 far 0 65 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 5641 from cnoeabs.peaks (3.58, 7.20, 127.30 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 60 + HD1 TRP 60 OK 100 100 100 100 3.8-3.8 3.9=100 HA GLU 56 - HD1 TRP 60 far 0 73 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 5642 from cnoeabs.peaks (7.20, 7.20, 127.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 60 + HD1 TRP 60 OK 100 100 - 100 Peak 5648 from cnoeabs.peaks (7.30, 7.30, 120.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 TRP 60 + HE3 TRP 60 OK 100 100 - 100 HE3 TRP 48 + HE3 TRP 48 OK 36 36 - 100 Peak 5649 from cnoeabs.peaks (7.22, 7.30, 120.80 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HZ3 TRP 60 + HE3 TRP 60 OK 100 100 100 100 2.5-2.5 2.5=100 QE PHE 10 - HE3 TRP 60 far 4 71 5 - 4.2-4.4 HD1 TRP 60 - HE3 TRP 60 far 0 90 0 - 5.1-5.1 Violated in 0 structures by 0.00 A. Peak 5654 from cnoeabs.peaks (7.22, 7.22, 122.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 60 + HZ3 TRP 60 OK 100 100 - 100 Peak 5655 from cnoeabs.peaks (7.46, 7.22, 122.45 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 60 + HZ3 TRP 60 OK 100 100 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 5656 from cnoeabs.peaks (7.26, 7.22, 122.45 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HH2 TRP 60 + HZ3 TRP 60 OK 100 100 100 100 2.4-2.4 2.4=100 QE PHE 10 + HZ3 TRP 60 OK 51 99 100 51 3.2-3.4 5661/4.3=13...(10) Violated in 0 structures by 0.00 A. Peak 5660 from cnoeabs.peaks (7.46, 7.46, 114.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 60 + HZ2 TRP 60 OK 100 100 - 100 Peak 5661 from cnoeabs.peaks (7.26, 7.46, 114.23 ppm; 3.24 A): 2 out of 3 assignments used, quality = 1.00: * HH2 TRP 60 + HZ2 TRP 60 OK 100 100 100 100 2.5-2.5 2.5=100 QE PHE 10 + HZ2 TRP 60 OK 73 99 100 73 3.4-3.8 8240/8239=26...(10) HZ3 TRP 60 - HZ2 TRP 60 far 0 61 0 - 4.3-4.3 Violated in 0 structures by 0.00 A. Peak 5664 from cnoeabs.peaks (7.22, 7.26, 125.17 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HZ3 TRP 60 + HH2 TRP 60 OK 100 100 100 100 2.4-2.4 2.4=100 QE PHE 10 + HH2 TRP 60 OK 40 71 100 56 2.9-3.3 2.2/5518=16...(11) HD1 TRP 60 - HH2 TRP 60 far 0 90 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 5665 from cnoeabs.peaks (7.46, 7.26, 125.17 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 60 + HH2 TRP 60 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5666 from cnoeabs.peaks (7.26, 7.26, 125.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 60 + HH2 TRP 60 OK 100 100 - 100 Peak 5667 from cnoeabs.peaks (4.74, 7.69, 132.28 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 79 + QD PHE 79 OK 100 100 100 100 2.1-2.7 3.7=100 HA TRP 16 - QD PHE 79 far 0 77 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 5668 from cnoeabs.peaks (3.79, 7.69, 132.28 ppm; 4.09 A): 2 out of 7 assignments used, quality = 1.00: * HB2 PHE 79 + QD PHE 79 OK 100 100 100 100 2.5-2.7 2.4=100 HA TRP 80 + QD PHE 79 OK 94 94 100 100 3.4-4.2 10006=83, 2.9/7160=59...(22) HA LYS 98 - QD PHE 79 far 0 89 0 - 6.4-7.7 HB3 TRP 16 - QD PHE 79 far 0 98 0 - 7.9-8.9 HA ALA 73 - QD PHE 79 far 0 89 0 - 8.4-9.2 HA LYS 84 - QD PHE 79 far 0 95 0 - 9.2-9.7 HA3 GLY 97 - QD PHE 79 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 5669 from cnoeabs.peaks (3.67, 7.69, 132.28 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 79 + QD PHE 79 OK 100 100 100 100 2.3-2.3 2.4=100 HA LEU 83 - QD PHE 79 far 0 92 0 - 5.9-6.5 HA GLN 96 - QD PHE 79 far 0 79 0 - 7.7-8.9 HA2 GLY 97 - QD PHE 79 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 5670 from cnoeabs.peaks (7.69, 7.69, 132.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + QD PHE 79 OK 100 100 - 100 Peak 5671 from cnoeabs.peaks (7.30, 7.69, 132.28 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * QE PHE 79 + QD PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 99 - QD PHE 79 far 0 100 0 - 3.9-4.1 HE22 GLN 86 - QD PHE 79 far 0 71 0 - 4.4-5.2 QE PHE 104 - QD PHE 79 far 0 100 0 - 4.8-5.8 HE3 TRP 80 - QD PHE 79 far 0 100 0 - 6.8-7.6 HE22 GLN 81 - QD PHE 79 far 0 80 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 5673 from cnoeabs.peaks (7.69, 7.30, 131.10 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * QD PHE 79 + QE PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 HE3 TRP 16 + QE PHE 104 OK 62 89 100 70 2.9-3.5 4.2/8838=33...(8) QD PHE 79 - QE PHE 104 far 0 91 0 - 4.8-5.8 HE3 TRP 16 - QE PHE 79 far 0 99 0 - 5.4-7.8 H LYS 84 - QE PHE 79 far 0 75 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 5674 from cnoeabs.peaks (7.30, 7.30, 131.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 79 + QE PHE 79 OK 100 100 - 100 QE PHE 104 + QE PHE 104 OK 90 90 - 100 Peak 5675 from cnoeabs.peaks (7.25, 7.30, 131.10 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HZ PHE 79 + QE PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 H PHE 99 + QE PHE 104 OK 63 88 100 71 3.1-3.8 3.3/3796=20, ~11116=17...(8) HE22 GLN 86 - QE PHE 79 lone 4 85 40 13 3.4-4.8 10049/10587=12 H PHE 99 - QE PHE 79 far 0 99 0 - 6.3-7.0 HZ PHE 79 - QE PHE 104 far 0 91 0 - 7.1-8.8 HD21 ASN 85 - QE PHE 79 far 0 63 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 5677 from cnoeabs.peaks (7.30, 7.25, 130.43 ppm; 3.17 A): 1 out of 5 assignments used, quality = 1.00: * QE PHE 79 + HZ PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 86 - HZ PHE 79 far 0 71 0 - 4.8-6.3 QD PHE 99 - HZ PHE 79 far 0 100 0 - 6.0-7.2 QE PHE 104 - HZ PHE 79 far 0 100 0 - 7.1-8.8 HE3 TRP 80 - HZ PHE 79 far 0 100 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 5678 from cnoeabs.peaks (7.25, 7.25, 130.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 79 + HZ PHE 79 OK 100 100 - 100 Peak 5688 from cnoeabs.peaks (7.30, 7.30, 119.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 80 + HE3 TRP 80 OK 100 100 - 100 Peak 5693 from cnoeabs.peaks (7.30, 7.22, 121.83 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * HE3 TRP 80 + HZ3 TRP 80 OK 100 100 100 100 2.5-2.5 2.5=100 HE22 GLN 81 - HZ3 TRP 80 poor 14 75 45 42 2.7-6.3 3.5/10650=23...(3) HH2 TRP 42 - HZ3 TRP 80 far 0 84 0 - 5.3-6.7 H ASN 20 - HZ3 TRP 80 far 0 99 0 - 6.4-7.4 HZ3 TRP 42 - HZ3 TRP 80 far 0 70 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 5694 from cnoeabs.peaks (7.22, 7.22, 121.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 80 + HZ3 TRP 80 OK 100 100 - 100 Peak 5695 from cnoeabs.peaks (6.81, 7.22, 121.83 ppm; 5.71 A): 2 out of 2 assignments used, quality = 1.00: * HZ2 TRP 80 + HZ3 TRP 80 OK 100 100 100 100 4.3-4.3 4.3=100 HD1 TRP 42 + HZ3 TRP 80 OK 93 93 100 100 4.1-5.0 10712=93, 2.6/10777=79...(8) Violated in 0 structures by 0.00 A. Peak 5696 from cnoeabs.peaks (6.87, 7.22, 121.83 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 80 + HZ3 TRP 80 OK 100 100 100 100 2.4-2.4 2.4=100 QD PHE 41 - HZ3 TRP 80 far 0 82 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 5698 from cnoeabs.peaks (7.30, 6.81, 114.23 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: H ASN 20 + HZ2 TRP 80 OK 99 99 100 100 2.7-3.5 8114=91, 8861/2.8=63...(9) * HE3 TRP 80 + HZ2 TRP 80 OK 89 100 100 89 5.0-5.0 5.0=82, 8875/10863=29...(4) HE22 GLN 81 - HZ2 TRP 80 far 4 75 5 - 5.0-10.0 HH2 TRP 42 - HZ2 TRP 80 far 0 83 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 5699 from cnoeabs.peaks (7.22, 6.81, 114.23 ppm; 5.89 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 80 + HZ2 TRP 80 OK 100 100 100 100 4.3-4.3 4.3=100 HD21 ASN 85 - HZ2 TRP 80 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 5700 from cnoeabs.peaks (6.81, 6.81, 114.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 80 + HZ2 TRP 80 OK 100 100 - 100 Peak 5701 from cnoeabs.peaks (6.87, 6.81, 114.23 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 80 + HZ2 TRP 80 OK 100 100 100 100 2.5-2.5 2.5=100 QD PHE 41 - HZ2 TRP 80 far 0 82 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 5703 from cnoeabs.peaks (7.30, 6.87, 124.11 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: * HE3 TRP 80 + HH2 TRP 80 OK 100 100 100 100 4.3-4.3 4.3=100 H ASN 20 + HH2 TRP 80 OK 98 99 100 99 4.4-5.4 8114/2.5=94...(6) HE22 GLN 81 - HH2 TRP 80 poor 15 75 50 41 3.1-7.9 5.9/10515=16...(4) HH2 TRP 42 - HH2 TRP 80 far 0 84 0 - 7.2-8.8 HZ3 TRP 42 - HH2 TRP 80 far 0 69 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 5704 from cnoeabs.peaks (7.22, 6.87, 124.11 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 80 + HH2 TRP 80 OK 100 100 100 100 2.4-2.4 2.4=100 HD21 ASN 85 - HH2 TRP 80 far 0 100 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 5705 from cnoeabs.peaks (6.81, 6.87, 124.11 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HZ2 TRP 80 + HH2 TRP 80 OK 100 100 100 100 2.5-2.5 2.5=100 HD1 TRP 42 - HH2 TRP 80 far 0 93 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 5706 from cnoeabs.peaks (6.87, 6.87, 124.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 80 + HH2 TRP 80 OK 100 100 - 100 Peak 5707 from cnoeabs.peaks (5.11, 7.30, 132.56 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 99 + QD PHE 99 OK 100 100 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 5708 from cnoeabs.peaks (7.30, 7.30, 132.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 99 + QD PHE 99 OK 100 100 - 100 Peak 5709 from cnoeabs.peaks (7.04, 7.30, 132.56 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 99 + QD PHE 99 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 72 - QD PHE 99 far 0 96 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 5711 from cnoeabs.peaks (7.30, 7.04, 130.40 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * QD PHE 99 + QE PHE 99 OK 100 100 100 100 2.2-2.2 2.2=100 QE PHE 79 + QE PHE 99 OK 82 99 95 87 3.5-4.0 2.2/10841=38, ~10846=27...(14) QE PHE 104 - QE PHE 99 far 0 96 0 - 4.7-5.5 H PHE 99 - QE PHE 99 far 0 59 0 - 4.8-5.3 HE22 GLN 86 - QE PHE 99 far 0 87 0 - 8.3-9.2 HE3 TRP 80 - QE PHE 99 far 0 100 0 - 8.4-8.8 HE3 TRP 48 - QE PHE 40 far 0 66 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 5712 from cnoeabs.peaks (7.04, 7.04, 130.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 99 + QE PHE 99 OK 100 100 - 100 QE PHE 40 + QE PHE 40 OK 71 71 - 100 Peak 5713 from cnoeabs.peaks (6.93, 7.04, 130.40 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HZ PHE 99 + QE PHE 99 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 41 - QE PHE 40 far 0 54 0 - 7.0-8.2 QE PHE 41 - QE PHE 40 far 0 51 0 - 8.1-9.7 HE21 GLN 72 - QE PHE 99 far 0 87 0 - 9.0-9.9 H LEU 17 - QE PHE 99 far 0 98 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 5714 from cnoeabs.peaks (7.30, 6.93, 128.27 ppm; 4.22 A): 1 out of 6 assignments used, quality = 1.00: * QD PHE 99 + HZ PHE 99 OK 100 100 100 100 3.8-3.8 3.8=100 QE PHE 79 - HZ PHE 99 far 10 99 10 - 4.7-5.4 H PHE 99 - HZ PHE 99 far 0 59 0 - 6.3-6.9 QE PHE 104 - HZ PHE 99 far 0 96 0 - 6.5-7.6 HE22 GLN 86 - HZ PHE 99 far 0 87 0 - 8.4-9.4 HE3 TRP 80 - HZ PHE 99 far 0 100 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 5715 from cnoeabs.peaks (7.04, 6.93, 128.27 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 99 + HZ PHE 99 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5716 from cnoeabs.peaks (6.93, 6.93, 128.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 99 + HZ PHE 99 OK 100 100 - 100 Peak 5718 from cnoeabs.peaks (2.93, 7.17, 131.19 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 104 + QD PHE 104 OK 99 99 100 100 2.3-2.5 2.5=100 HB3 PHE 104 + QD PHE 104 OK 99 99 100 100 2.3-2.4 2.5=100 Violated in 0 structures by 0.00 A. Peak 5719 from cnoeabs.peaks (2.94, 7.17, 131.19 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 104 + QD PHE 104 OK 99 99 100 100 2.3-2.4 2.5=100 HB2 PHE 104 + QD PHE 104 OK 99 99 100 100 2.3-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5720 from cnoeabs.peaks (7.17, 7.17, 131.19 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 104 + QD PHE 104 OK 99 99 - 100 Peak 5721 from cnoeabs.peaks (7.32, 7.17, 131.19 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.99: * QE PHE 104 + QD PHE 104 OK 99 99 100 100 2.2-2.2 2.2=100 QD PHE 99 - QD PHE 104 far 0 95 0 - 5.2-6.0 QE PHE 79 - QD PHE 104 far 0 98 0 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 5722 from cnoeabs.peaks (6.86, 7.17, 131.19 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 104 + QD PHE 104 OK 99 99 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 5723 from cnoeabs.peaks (7.17, 7.32, 131.48 ppm; 3.98 A): 1 out of 5 assignments used, quality = 0.98: * QD PHE 104 + QE PHE 104 OK 98 98 100 100 2.2-2.2 2.2=100 QD PHE 104 - QE PHE 79 far 0 73 0 - 6.5-8.2 HD1 TRP 16 - QE PHE 104 far 0 90 0 - 6.5-7.6 HD1 TRP 16 - QE PHE 79 far 0 64 0 - 7.4-9.4 HD21 ASN 85 - QE PHE 79 far 0 38 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 5724 from cnoeabs.peaks (7.32, 7.32, 131.48 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: * QE PHE 104 + QE PHE 104 OK 98 98 - 100 QE PHE 79 + QE PHE 79 OK 70 70 - 100 Peak 5725 from cnoeabs.peaks (6.86, 7.32, 131.48 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.98: * HZ PHE 104 + QE PHE 104 OK 98 98 100 100 2.2-2.2 2.2=100 HZ PHE 104 - QE PHE 79 poor 13 73 40 43 5.2-6.5 10924/2.2=23...(4) Violated in 0 structures by 0.00 A. Peak 5726 from cnoeabs.peaks (7.17, 6.86, 128.16 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.97: * QD PHE 104 + HZ PHE 104 OK 97 97 100 100 3.8-3.8 3.8=100 HD1 TRP 16 - HZ PHE 104 far 0 88 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 5727 from cnoeabs.peaks (7.32, 6.86, 128.16 ppm; 3.76 A): 2 out of 3 assignments used, quality = 1.00: * QE PHE 104 + HZ PHE 104 OK 96 96 100 100 2.2-2.2 2.2=100 QD PHE 99 + HZ PHE 104 OK 90 91 100 99 2.0-2.9 10845=80, 10168/10504=37...(13) QE PHE 79 - HZ PHE 104 far 0 94 0 - 5.2-6.5 Violated in 0 structures by 0.00 A. Peak 5728 from cnoeabs.peaks (6.86, 6.86, 128.16 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * HZ PHE 104 + HZ PHE 104 OK 96 96 - 100 Peak 8616 from cnoeabs.peaks (9.74, 7.15, 127.26 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 16 + HD1 TRP 16 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 8634 from cnoeabs.peaks (9.51, 6.70, 125.35 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 48 + HD1 TRP 48 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 8635 from cnoeabs.peaks (3.39, 6.70, 125.35 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 48 + HD1 TRP 48 OK 100 100 100 100 2.8-3.9 3.9=100 HA ILE 77 - HD1 TRP 48 far 0 100 0 - 7.7-8.0 HB3 PHE 40 - HD1 TRP 48 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 8636 from cnoeabs.peaks (2.78, 6.70, 125.35 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 48 + HD1 TRP 48 OK 100 100 100 100 2.7-3.9 3.9=100 HE3 LYS 52 - HD1 TRP 48 far 0 92 0 - 6.5-9.0 Violated in 0 structures by 0.00 A. Peak 8640 from cnoeabs.peaks (9.51, 7.32, 114.28 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 48 + HZ2 TRP 48 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 8641 from cnoeabs.peaks (10.44, 7.20, 127.30 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 60 + HD1 TRP 60 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 8645 from cnoeabs.peaks (3.57, 7.30, 120.80 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TRP 60 + HE3 TRP 60 OK 100 100 100 100 2.5-2.6 4.2=100 HA TRP 48 + HE3 TRP 48 OK 50 50 100 99 4.5-4.8 4.7=93, 3.6/9352=62...(6) HA THR 74 - HE3 TRP 48 far 0 38 0 - 6.4-7.1 HA ILE 67 - HE3 TRP 48 far 0 51 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 8649 from cnoeabs.peaks (10.44, 7.46, 114.23 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 60 + HZ2 TRP 60 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 8652 from cnoeabs.peaks (3.78, 7.68, 119.97 ppm; 6.00 A): 2 out of 6 assignments used, quality = 1.00: * HB3 TRP 16 + HE3 TRP 16 OK 100 100 100 100 2.6-3.2 4.2=100 HA TRP 80 + HE3 TRP 16 OK 99 100 100 99 5.5-6.2 10008/4.3=89, ~10275=63...(6) HB2 SER 105 - HE3 TRP 16 far 0 71 0 - 7.8-10.0 HB3 SER 105 - HE3 TRP 16 far 0 69 0 - 7.8-9.0 HB2 PHE 79 - HE3 TRP 16 far 0 98 0 - 8.4-9.2 HA ALA 73 - HE3 TRP 16 far 0 71 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 8653 from cnoeabs.peaks (3.13, 7.68, 119.97 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 16 + HE3 TRP 16 OK 100 100 100 100 4.1-4.2 4.2=100 HB3 PHE 99 - HE3 TRP 16 far 0 95 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 8654 from cnoeabs.peaks (3.39, 7.27, 120.40 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 48 + HE3 TRP 48 OK 100 100 100 100 2.4-4.0 4.2=100 HB3 PHE 40 - HE3 TRP 48 far 0 100 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 8655 from cnoeabs.peaks (2.78, 7.27, 120.40 ppm; 5.13 A): 2 out of 5 assignments used, quality = 1.00: * HB2 TRP 48 + HE3 TRP 48 OK 100 100 100 100 2.4-4.1 4.2=100 HE3 LYS 52 + HE3 TRP 48 OK 87 92 95 100 4.5-5.8 9444/2.5=83, ~9440=70...(15) HD2 ARG 66 - HE3 TRP 60 far 0 48 0 - 8.6-12.1 HB2 PHE 10 - HE3 TRP 60 far 0 27 0 - 8.7-9.0 HD2 ARG 66 - HE3 TRP 48 far 0 98 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 8656 from cnoeabs.peaks (2.95, 7.30, 120.80 ppm; 5.94 A): 2 out of 2 assignments used, quality = 0.99: * HB2 TRP 60 + HE3 TRP 60 OK 98 98 100 100 4.1-4.1 4.2=100 HE2 LYS 52 + HE3 TRP 48 OK 51 51 100 100 3.8-4.7 9440/2.5=99, 9439/4.3=88...(16) Violated in 0 structures by 0.00 A. Peak 8683 from cnoeabs.peaks (0.82, 6.96, 120.16 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.95: QG2 VAL 6 + HD2 HIS 7 OK 91 98 100 93 5.0-6.0 8679/11223=62...(4) QG1 VAL 6 + HD2 HIS 7 OK 45 94 70 68 5.2-8.2 69/5.9=30, 8678/4.6=28...(4) Violated in 0 structures by 0.00 A. Peak 8721 from cnoeabs.peaks (1.13, 7.04, 131.16 ppm; 5.84 A): 1 out of 7 assignments used, quality = 0.95: QD1 LEU 36 + QD PHE 10 OK 95 95 100 100 3.9-4.1 2.1/8238=100, 8241=93...(17) HG3 ARG 66 - QD PHE 10 far 15 100 15 - 5.7-7.8 HG LEU 51 - QD PHE 10 far 0 87 0 - 7.6-8.2 QG2 THR 5 - QD PHE 10 far 0 100 0 - 8.5-11.4 HG2 LYS 13 - QD PHE 10 far 0 96 0 - 8.5-10.1 HG3 LYS 13 - QD PHE 10 far 0 96 0 - 8.6-10.1 HB2 LEU 51 - QD PHE 10 far 0 76 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 8722 from cnoeabs.peaks (0.97, 7.04, 131.16 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 25 + QD PHE 10 OK 100 100 100 100 2.8-2.9 8968=100, 8950/2.5=80...(18) QG2 THR 37 - QD PHE 10 far 0 85 0 - 4.9-5.1 HG13 ILE 28 - QD PHE 10 far 0 93 0 - 5.9-6.0 Violated in 0 structures by 0.00 A. Peak 8723 from cnoeabs.peaks (0.87, 7.04, 131.16 ppm; 4.65 A): 2 out of 10 assignments used, quality = 0.99: QG1 VAL 69 + QD PHE 10 OK 89 89 100 100 3.6-3.9 8452/2.5=84, 8453/2.5=82...(17) QG2 VAL 25 + QD PHE 10 OK 87 87 100 100 4.7-4.9 2.1/8968=97, ~8950=60...(13) QD1 LEU 51 - QD PHE 10 far 5 97 5 - 5.2-5.6 QG1 VAL 6 - QD PHE 10 far 0 82 0 - 5.7-8.4 QG2 VAL 6 - QD PHE 10 far 0 73 0 - 5.7-7.3 QG2 ILE 11 - QD PHE 10 far 0 92 0 - 6.4-6.4 QD1 LEU 12 - QD PHE 10 far 0 86 0 - 7.5-7.7 QG2 VAL 103 - QD PHE 10 far 0 85 0 - 8.3-9.4 QG2 ILE 67 - QD PHE 10 far 0 76 0 - 8.7-9.0 QG1 VAL 103 - QD PHE 10 far 0 100 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 8724 from cnoeabs.peaks (0.79, 7.04, 131.16 ppm; 4.44 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 36 + QD PHE 10 OK 100 100 100 100 1.8-1.8 8238=100, 2.1/8241=79...(20) QG2 VAL 69 + QD PHE 10 OK 99 99 100 100 4.3-4.7 9806/2.5=72, ~8452=57...(13) HB3 LEU 55 + QD PHE 10 OK 83 92 100 89 4.3-4.9 ~11255=43, 3.1/8353=32...(10) QD1 ILE 11 - QD PHE 10 far 4 89 5 - 4.8-6.2 QG2 ILE 28 - QD PHE 10 far 0 99 0 - 5.6-5.7 QD1 ILE 67 - QD PHE 10 far 0 97 0 - 8.0-8.3 QG1 VAL 29 - QD PHE 10 far 0 65 0 - 8.2-8.3 QD1 ILE 23 - QD PHE 10 far 0 69 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8733 from cnoeabs.peaks (0.80, 7.25, 131.12 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.99: QD2 LEU 36 + QE PHE 10 OK 98 98 100 100 1.9-1.9 8238/2.2=92...(24) HB3 LEU 55 + QE PHE 10 OK 70 72 100 96 3.9-4.8 3.1/11255=74...(14) QG2 VAL 6 - QE PHE 10 poor 13 62 80 26 4.0-6.4 8673/8024=17...(3) QG2 VAL 69 - QE PHE 10 far 0 89 0 - 5.7-6.0 QD1 ILE 11 - QE PHE 10 far 0 67 0 - 6.2-7.7 QG2 ILE 28 - QE PHE 10 far 0 92 0 - 6.5-6.5 QD1 ILE 67 - QE PHE 10 far 0 100 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 8839 from cnoeabs.peaks (0.93, 7.68, 119.97 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 76 + HE3 TRP 16 OK 99 99 100 100 3.8-4.2 9915/2.5=98, ~10880=36...(10) QG1 VAL 14 + HE3 TRP 16 OK 95 96 100 99 2.4-2.8 2.1/8816=73, 8834/4.2=57...(12) HB2 LEU 15 - HE3 TRP 16 far 0 87 0 - 6.7-7.5 QG2 VAL 103 - HE3 TRP 16 far 0 61 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 8840 from cnoeabs.peaks (0.96, 7.45, 121.04 ppm; 5.76 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 14 + HZ3 TRP 16 OK 98 99 100 99 2.8-3.6 ~8816=64, 8839/2.5=45...(10) QG1 VAL 76 + HZ3 TRP 16 OK 96 96 100 100 2.7-3.1 9915=96, 8500/8884=88...(9) HB2 LEU 15 - HZ3 TRP 16 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 9207 from cnoeabs.peaks (0.85, 6.35, 117.96 ppm; 5.35 A): 2 out of 10 assignments used, quality = 1.00: HG LEU 15 + QE TYR 39 OK 100 100 100 100 3.2-3.7 2.1/8104=89, 2.1/8101=82...(9) QG1 VAL 103 + QE TYR 39 OK 34 85 100 39 4.2-5.6 10718/10739=24...(4) QD1 LEU 12 - QE TYR 39 far 10 100 10 - 5.6-7.0 QD1 LEU 109 - QE TYR 39 lone 1 100 35 2 4.9-11.2 QD1 LEU 17 - QE TYR 39 far 0 99 0 - 6.3-7.2 QG2 VAL 25 - QE TYR 39 far 0 100 0 - 7.0-7.9 QD2 LEU 17 - QE TYR 39 far 0 100 0 - 7.2-7.6 QG2 VAL 102 - QE TYR 39 far 0 99 0 - 7.5-8.7 QD1 LEU 51 - QE TYR 39 far 0 98 0 - 7.5-8.6 QG2 ILE 11 - QE TYR 39 far 0 100 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 9208 from cnoeabs.peaks (0.11, 6.35, 117.96 ppm; 5.16 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 15 + QE TYR 39 OK 100 100 100 100 2.7-3.3 8101=99, 2.1/8104=86...(10) QB ALA 22 + QE TYR 39 OK 98 98 100 100 3.9-4.4 8134/2.2=97, 8890=97...(9) Violated in 0 structures by 0.00 A. Peak 9218 from cnoeabs.peaks (1.72, 7.12, 132.45 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: HG12 ILE 23 + QD PHE 40 OK 100 100 100 100 2.0-3.0 8902=100, 2.1/8904=88...(17) HB VAL 25 - QD PHE 40 far 0 98 0 - 5.4-5.7 HG LEU 55 - QD PHE 40 far 0 85 0 - 7.1-7.5 HB3 LEU 36 - QD PHE 40 far 0 80 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 9219 from cnoeabs.peaks (1.09, 7.12, 132.45 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.97: HB2 LEU 51 + QD PHE 40 OK 97 97 100 100 2.4-4.0 3.1/9220=66...(31) HG LEU 51 - QD PHE 40 far 0 90 0 - 5.4-5.7 HB VAL 14 - QD PHE 40 far 0 71 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 9220 from cnoeabs.peaks (0.86, 7.12, 132.45 ppm; 3.96 A increased from 3.72 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 51 + QD PHE 40 OK 100 100 100 100 3.8-4.0 8156/2.2=86...(23) QD1 LEU 12 - QD PHE 40 far 0 99 0 - 4.9-5.7 QG2 VAL 25 - QD PHE 40 far 0 99 0 - 5.1-5.5 QD1 LEU 17 - QD PHE 40 far 0 91 0 - 8.4-9.0 QG1 VAL 69 - QD PHE 40 far 0 65 0 - 8.5-8.8 QG1 VAL 103 - QD PHE 40 far 0 96 0 - 8.9-10.8 QG2 VAL 103 - QD PHE 40 far 0 59 0 - 9.4-11.2 QG2 VAL 102 - QD PHE 40 far 0 94 0 - 9.4-10.2 Violated in 2 structures by 0.00 A. Peak 9224 from cnoeabs.peaks (4.24, 7.12, 132.45 ppm; 4.39 A): 2 out of 3 assignments used, quality = 1.00: HA ALA 24 + QD PHE 40 OK 97 99 100 98 2.8-3.6 8966=79, 9221/6488=59...(12) HA ALA 47 + QD PHE 40 OK 96 96 100 100 3.6-3.9 2.1/9289=78, 9223/2.5=67...(18) HA SER 38 - QD PHE 40 far 0 100 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 9227 from cnoeabs.peaks (9.30, 6.90, 131.10 ppm; 5.57 A): 2 out of 2 assignments used, quality = 1.00: H TRP 42 + QD PHE 41 OK 100 100 100 100 2.6-4.1 4.6=100 H PHE 41 + QD PHE 41 OK 100 100 100 100 2.0-3.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 9230 from cnoeabs.peaks (0.82, 6.90, 131.10 ppm; 5.45 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 17 + QD PHE 41 OK 97 97 100 100 2.7-3.8 11146/2.2=95...(13) QD2 LEU 17 + QD PHE 41 OK 86 90 95 100 4.7-6.1 10830/2.2=92, ~11146=75...(10) QG2 ILE 23 - QD PHE 41 far 0 93 0 - 6.7-7.2 QD1 LEU 109 - QD PHE 41 far 0 93 0 - 6.8-17.4 HG LEU 15 - QD PHE 41 far 0 93 0 - 7.8-8.4 QD1 LEU 12 - QD PHE 41 far 0 86 0 - 9.4-10.1 QD1 LEU 51 - QD PHE 41 far 0 67 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 9231 from cnoeabs.peaks (0.13, 6.90, 131.10 ppm; 5.06 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 22 + QD PHE 41 OK 99 99 100 100 2.5-3.2 8135=98, 11151/2.2=96...(12) QD1 LEU 15 + QD PHE 41 OK 91 95 100 95 4.7-5.6 8821/3.8=67, 8102/2.2=64...(7) Violated in 0 structures by 0.00 A. Peak 9295 from cnoeabs.peaks (3.56, 6.70, 125.35 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: HA THR 74 + HD1 TRP 48 OK 98 98 100 100 3.4-3.7 9914=98, 8498/8478=65...(14) HA TRP 48 + HD1 TRP 48 OK 86 87 100 99 2.8-3.0 9298=83, 9319/8506=48...(9) HA ILE 67 - HD1 TRP 48 far 0 100 0 - 8.1-8.3 HA VAL 76 - HD1 TRP 48 far 0 63 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 9296 from cnoeabs.peaks (3.44, 7.27, 120.40 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.98: HA GLN 49 + HE3 TRP 48 OK 98 98 100 100 2.9-3.4 8316=98, 9354/2.5=74...(8) HA LEU 51 - HE3 TRP 48 far 0 84 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 9304 from cnoeabs.peaks (8.40, 6.70, 125.35 ppm; 5.46 A): 2 out of 3 assignments used, quality = 1.00: H TRP 48 + HD1 TRP 48 OK 99 99 100 100 4.5-4.8 5.6=95, 3.0/9298=85...(7) H ALA 73 + HD1 TRP 48 OK 88 88 100 100 4.3-4.5 2.9/8478=98, 9894=88...(10) H ASP 53 - HD1 TRP 48 far 0 93 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9305 from cnoeabs.peaks (8.49, 6.70, 125.35 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.94: H THR 74 + HD1 TRP 48 OK 94 94 100 100 3.0-3.3 9307/2.6=94, 9913=92...(9) H ASN 78 - HD1 TRP 48 far 0 59 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 9323 from cnoeabs.peaks (1.52, 6.70, 125.35 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 73 + HD1 TRP 48 OK 100 100 100 100 1.7-1.9 8478=99, 9345/2.6=58...(15) HB3 LEU 51 - HD1 TRP 48 far 0 61 0 - 4.7-6.0 HG LEU 12 - HD1 TRP 48 far 0 100 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 9324 from cnoeabs.peaks (0.58, 6.70, 125.35 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 77 + HD1 TRP 48 OK 100 100 100 100 3.3-3.6 8506=100, 8497/9914=57...(9) Violated in 0 structures by 0.00 A. Peak 9325 from cnoeabs.peaks (0.76, 6.70, 125.35 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 23 + HD1 TRP 48 OK 100 100 100 100 3.1-3.5 8746=100, 8546/8506=79...(11) HG2 LYS 52 - HD1 TRP 48 far 7 73 10 - 5.3-7.8 QG2 VAL 69 - HD1 TRP 48 far 0 94 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 9327 from cnoeabs.peaks (2.26, 7.27, 120.40 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 49 + HE3 TRP 48 OK 99 99 100 100 3.3-3.7 9359=99, 3.0/8316=99...(5) HG2 GLN 49 + HE3 TRP 48 OK 59 59 100 100 5.6-6.0 4.0/8316=91, 2.9/9359=91...(4) Violated in 0 structures by 0.00 A. Peak 9329 from cnoeabs.peaks (-0.13, 6.70, 125.35 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + HD1 TRP 48 OK 100 100 100 100 3.0-3.3 9842=98, 9350/2.6=95...(20) Violated in 0 structures by 0.00 A. Peak 9330 from cnoeabs.peaks (0.42, 7.32, 114.28 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + HZ2 TRP 48 OK 100 100 100 100 3.1-3.6 10480=100, 2.1/9840=82...(21) QD1 LEU 55 - HZ2 TRP 48 far 0 99 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 9331 from cnoeabs.peaks (0.40, 7.07, 124.04 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.91: QD1 LEU 70 + HH2 TRP 48 OK 91 91 100 100 3.6-4.4 10480/2.5=84...(17) QD1 LEU 55 - HH2 TRP 48 far 0 77 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 9332 from cnoeabs.peaks (1.60, 7.32, 114.28 ppm; 4.38 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 70 + HZ2 TRP 48 OK 100 100 100 100 2.3-2.6 9834=100, 9344/2.8=78...(21) HG13 ILE 67 - HZ2 TRP 48 far 0 100 0 - 7.7-8.3 HB2 ARG 66 - HZ2 TRP 48 far 0 97 0 - 7.8-8.6 HB2 LEU 55 - HZ2 TRP 48 far 0 100 0 - 9.3-9.7 HG13 ILE 77 - HZ2 TRP 48 far 0 77 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 9333 from cnoeabs.peaks (1.17, 7.07, 124.04 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.99: HD3 LYS 52 + HH2 TRP 48 OK 99 99 100 100 3.3-4.5 9434=99, 1.8/9429=91...(21) HG3 ARG 66 - HH2 TRP 48 far 0 69 0 - 8.0-11.1 Violated in 0 structures by 0.00 A. Peak 9334 from cnoeabs.peaks (2.80, 7.07, 124.04 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: HE3 LYS 52 + HH2 TRP 48 OK 100 100 100 100 2.7-5.2 1.8/9439=100...(22) HB2 TRP 48 - HH2 TRP 48 far 0 96 0 - 6.2-7.2 HD2 ARG 66 - HH2 TRP 48 far 0 100 0 - 7.3-11.3 Violated in 0 structures by 0.00 A. Peak 9335 from cnoeabs.peaks (2.95, 7.07, 124.04 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: HE2 LYS 52 + HH2 TRP 48 OK 100 100 100 100 2.2-3.6 9439=100, 9440/2.4=93...(23) HB2 ASN 71 - HH2 TRP 48 far 0 100 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 9337 from cnoeabs.peaks (1.16, 6.94, 121.94 ppm; 5.27 A): 1 out of 2 assignments used, quality = 1.00: HD3 LYS 52 + HZ3 TRP 48 OK 100 100 100 100 2.7-3.8 1.8/9430=99, 9434/2.4=93...(26) HG3 ARG 66 - HZ3 TRP 48 far 0 77 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 9338 from cnoeabs.peaks (-0.14, 7.32, 114.28 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 70 + HZ2 TRP 48 OK 99 99 100 100 3.3-3.5 9840=98, 2.1/10480=93...(24) Violated in 0 structures by 0.00 A. Peak 9578 from cnoeabs.peaks (7.00, 7.20, 127.30 ppm; 5.48 A): 2 out of 3 assignments used, quality = 1.00: H LYS 58 + HD1 TRP 60 OK 99 99 100 100 5.4-5.7 9545/9603=64...(10) H ILE 61 + HD1 TRP 60 OK 81 81 100 100 4.2-4.5 6794=81, 4.6/6783=79...(11) H ALA 57 - HD1 TRP 60 far 0 90 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 9579 from cnoeabs.peaks (6.89, 7.20, 127.30 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.99: H TRP 60 + HD1 TRP 60 OK 99 99 100 100 2.3-2.4 6783=99, 9582/2.6=57...(10) Violated in 0 structures by 0.00 A. Peak 9587 from cnoeabs.peaks (1.15, 7.26, 125.17 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 36 + HH2 TRP 60 OK 100 100 100 100 2.7-3.0 8239/2.5=94, 2.1/9609=64...(20) HG3 ARG 66 - HH2 TRP 60 far 0 90 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 9588 from cnoeabs.peaks (1.63, 7.46, 114.23 ppm; 4.64 A): 1 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HZ2 TRP 60 OK 100 100 100 100 3.1-4.4 9572=100, 10871/8239=88...(20) HB2 LEU 55 - HZ2 TRP 60 far 0 91 0 - 8.2-8.7 HB ILE 28 - HZ2 TRP 60 far 0 100 0 - 9.1-9.5 HB2 ARG 66 - HZ2 TRP 60 far 0 65 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9589 from cnoeabs.peaks (3.54, 7.22, 122.45 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.71: HB3 TRP 60 + HZ3 TRP 60 OK 71 71 100 99 4.9-4.9 6.4=82, 1894/2.5=69...(6) Violated in 0 structures by 0.00 A. Peak 9603 from cnoeabs.peaks (0.09, 7.20, 127.30 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: QD1 ILE 61 + HD1 TRP 60 OK 98 98 100 100 3.3-3.5 9601/2.6=99...(17) Violated in 0 structures by 0.00 A. Peak 9605 from cnoeabs.peaks (1.36, 7.46, 114.23 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: HD3 LYS 58 + HZ2 TRP 60 OK 100 100 100 100 2.8-5.0 9574=100, 1.8/9572=99...(21) Violated in 0 structures by 0.00 A. Peak 9606 from cnoeabs.peaks (1.16, 7.46, 114.23 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 36 + HZ2 TRP 60 OK 100 100 100 100 1.8-1.9 8239=99, 2.1/9146=66...(19) HG3 ARG 66 - HZ2 TRP 60 far 0 88 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 9607 from cnoeabs.peaks (0.79, 7.46, 114.23 ppm; 5.15 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 36 + HZ2 TRP 60 OK 100 100 100 100 3.2-3.4 2.1/8239=99, 9146=93...(18) HB3 LEU 55 - HZ2 TRP 60 far 0 90 0 - 6.6-7.3 QD1 ILE 11 - HZ2 TRP 60 far 0 85 0 - 8.0-9.7 QG1 VAL 29 - HZ2 TRP 60 far 0 59 0 - 8.0-8.4 QG2 VAL 69 - HZ2 TRP 60 far 0 98 0 - 8.8-9.1 QG2 ILE 28 - HZ2 TRP 60 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9608 from cnoeabs.peaks (0.08, 7.46, 114.23 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.95: QD1 ILE 61 + HZ2 TRP 60 OK 95 95 100 100 2.8-3.0 9601/2.8=97...(16) Violated in 0 structures by 0.00 A. Peak 9609 from cnoeabs.peaks (0.79, 7.26, 125.17 ppm; 4.88 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 36 + HH2 TRP 60 OK 100 100 100 100 3.0-3.2 9146/2.5=90, 2.1/9587=86...(21) QD1 ILE 11 - HH2 TRP 60 far 0 91 0 - 6.5-8.2 QG1 VAL 29 - HH2 TRP 60 far 0 68 0 - 6.7-7.0 QG2 ILE 28 - HH2 TRP 60 far 0 100 0 - 7.0-7.4 HB3 LEU 55 - HH2 TRP 60 far 0 94 0 - 7.1-7.7 QG2 VAL 69 - HH2 TRP 60 far 0 99 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 9610 from cnoeabs.peaks (0.08, 7.26, 125.17 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.95: QD1 ILE 61 + HH2 TRP 60 OK 95 95 100 100 3.4-3.6 8251/9587=92...(14) Violated in 0 structures by 0.00 A. Peak 9611 from cnoeabs.peaks (1.13, 7.22, 122.45 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.85: QD1 LEU 36 + HZ3 TRP 60 OK 85 85 100 100 4.7-5.0 8239/4.3=81, ~9609=72...(14) QG2 THR 5 - HZ3 TRP 60 far 0 99 0 - 8.4-10.6 HG3 ARG 66 - HZ3 TRP 60 far 0 99 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. Peak 10156 from cnoeabs.peaks (3.10, 7.30, 132.56 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.92: * HB3 PHE 99 + QD PHE 99 OK 92 92 100 100 2.5-2.6 2.7=100 HB3 ASN 71 - QD PHE 99 far 0 98 0 - 8.1-9.2 HB2 TRP 16 - QD PHE 99 far 0 65 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 10157 from cnoeabs.peaks (3.02, 7.30, 132.56 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 99 + QD PHE 99 OK 100 100 100 100 2.3-2.3 2.7=100 Violated in 0 structures by 0.00 A. Peak 10161 from cnoeabs.peaks (0.85, 7.30, 132.56 ppm; 4.05 A): 2 out of 7 assignments used, quality = 0.99: QG2 VAL 102 + QD PHE 99 OK 95 95 100 100 2.5-3.2 8844=98, 10216/2.7=72...(17) HD2 LYS 98 + QD PHE 99 OK 87 98 90 100 3.1-4.8 1.8/10148=74...(22) QD1 LEU 12 - QD PHE 99 far 0 99 0 - 7.0-7.4 QG1 VAL 103 - QD PHE 99 far 0 95 0 - 7.8-8.7 QG2 ILE 11 - QD PHE 99 far 0 100 0 - 8.3-8.7 QG1 VAL 69 - QD PHE 99 far 0 63 0 - 9.3-9.7 QG2 VAL 25 - QD PHE 99 far 0 99 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 10162 from cnoeabs.peaks (1.14, 7.30, 132.56 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 98 + QD PHE 99 OK 99 99 100 100 4.2-4.8 1.8/10731=72...(24) HD3 LYS 98 + QD PHE 99 OK 77 86 90 100 3.3-5.4 10148=87, 3.5/10731=53...(23) HB VAL 14 - QD PHE 99 far 0 96 0 - 5.6-6.2 Violated in 1 structures by 0.00 A. Peak 10168 from cnoeabs.peaks (0.30, 7.30, 132.56 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 76 + QD PHE 99 OK 100 100 100 100 2.2-2.7 2393/9921=56...(25) QG1 VAL 21 - QD PHE 99 far 0 98 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 10264 from cnoeabs.peaks (7.15, 7.15, 127.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 16 + HD1 TRP 16 OK 100 100 - 100 Peak 10265 from cnoeabs.peaks (9.76, 7.48, 115.73 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.94: * HE1 TRP 16 + HZ2 TRP 16 OK 94 94 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 10266 from cnoeabs.peaks (11.12, 7.51, 114.90 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 42 + HZ2 TRP 42 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 10271 from cnoeabs.peaks (9.20, 6.81, 114.23 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HE1 TRP 80 + HZ2 TRP 80 OK 100 100 100 100 2.8-2.8 2.8=100 H TRP 16 - HZ2 TRP 80 far 0 83 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10282 from cnoeabs.peaks (8.18, 7.04, 131.16 ppm; 5.45 A): 1 out of 4 assignments used, quality = 1.00: H PHE 10 + QD PHE 10 OK 100 100 100 100 2.4-2.6 4.5=100 H LEU 70 - QD PHE 10 far 0 100 0 - 7.6-8.0 H VAL 29 - QD PHE 10 far 0 93 0 - 7.6-7.7 H VAL 6 - QD PHE 10 far 0 67 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 10284 from cnoeabs.peaks (5.02, 7.04, 131.16 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 27 + QD PHE 10 OK 100 100 100 100 3.0-3.4 9015=100, 8045/3.7=88...(16) HA PRO 35 - QD PHE 10 far 0 87 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 10295 from cnoeabs.peaks (1.32, 7.48, 115.73 ppm; 5.86 A): 1 out of 4 assignments used, quality = 0.81: HG LEU 83 + HZ2 TRP 16 OK 81 81 100 100 2.4-4.6 2.1/10588=100, ~11199=80...(9) HG3 LYS 88 - HZ2 TRP 16 far 0 100 0 - 6.6-8.4 HB3 LYS 98 - HZ2 TRP 16 far 0 96 0 - 6.9-8.7 QB ALA 93 - HZ2 TRP 16 far 0 98 0 - 7.4-10.1 Violated in 0 structures by 0.00 A. Peak 10296 from cnoeabs.peaks (3.77, 7.36, 124.14 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: HA TRP 80 + HH2 TRP 16 OK 100 100 100 100 2.1-3.2 10008=99, 2.9/11037=72...(12) HB2 PHE 79 - HH2 TRP 16 far 4 85 5 - 5.3-6.1 HB3 TRP 16 - HH2 TRP 16 far 0 97 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 10297 from cnoeabs.peaks (0.63, 7.36, 124.14 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.90: QD1 LEU 83 + HH2 TRP 16 OK 77 77 100 100 1.9-2.5 2.1/11199=90, 11198=77...(12) QD1 ILE 90 + HH2 TRP 16 OK 55 79 100 69 2.9-4.2 10686/2.5=61...(3) QD2 LEU 12 - HH2 TRP 16 far 0 100 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 10395 from cnoeabs.peaks (4.59, 7.06, 130.20 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: HB THR 37 + QE PHE 40 OK 100 100 100 100 2.3-3.3 2.1/10400=78...(17) HA PHE 41 - QE PHE 40 far 0 81 0 - 8.1-8.2 HA ASN 71 - QE PHE 99 far 0 86 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10396 from cnoeabs.peaks (3.46, 7.06, 130.20 ppm; 4.16 A): 3 out of 6 assignments used, quality = 1.00: HA LEU 51 + QE PHE 40 OK 100 100 100 100 1.8-2.2 1445/8156=75...(23) HB2 SER 38 + QE PHE 40 OK 79 88 100 89 3.9-4.4 8271=39, 3.9/10881=34...(10) HA ALA 95 + QE PHE 99 OK 41 86 60 78 4.2-5.0 ~10856=37...(6) HB3 TRP 80 - QE PHE 99 far 0 87 0 - 6.2-6.7 HA GLN 49 - QE PHE 40 far 0 99 0 - 7.4-7.6 HA ARG 66 - QE PHE 40 far 0 99 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 10397 from cnoeabs.peaks (2.34, 7.06, 130.20 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 54 + QE PHE 40 OK 100 100 100 100 2.5-3.3 10764/2.2=64...(19) HG2 GLU 75 + QE PHE 99 OK 30 56 60 89 4.2-5.4 1.8/9945=50, 3.0/2301=23...(9) HB2 GLU 101 - QE PHE 99 far 0 82 0 - 8.0-8.8 HB2 PRO 100 - QE PHE 99 far 0 62 0 - 8.8-8.9 HB2 GLN 81 - QE PHE 99 far 0 80 0 - 8.9-10.3 HB2 ASP 26 - QE PHE 40 far 0 93 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 10398 from cnoeabs.peaks (2.26, 7.06, 130.20 ppm; 4.13 A): 3 out of 12 assignments used, quality = 1.00: HG3 GLU 54 + QE PHE 40 OK 100 100 100 100 3.7-4.4 1.8/9946=69, 8337/2.2=56...(18) HB2 GLU 75 + QE PHE 99 OK 85 88 100 97 2.0-3.4 3.0/9945=35...(15) HB3 GLU 75 + QE PHE 99 OK 84 87 100 96 2.0-2.7 3.0/9945=35...(15) HG3 GLU 101 - QE PHE 99 far 0 78 0 - 5.7-6.5 HB3 GLN 72 - QE PHE 99 far 0 83 0 - 6.2-7.1 HG2 GLU 101 - QE PHE 99 far 0 79 0 - 7.4-8.1 HG2 GLN 72 - QE PHE 99 far 0 62 0 - 7.4-8.3 HG2 GLN 96 - QE PHE 99 far 0 89 0 - 8.3-9.4 HG2 GLN 49 - QE PHE 40 far 0 69 0 - 8.5-8.9 HB3 GLN 49 - QE PHE 40 far 0 97 0 - 8.6-8.8 HG2 GLN 72 - QE PHE 40 far 0 77 0 - 9.6-11.1 HG3 GLU 94 - QE PHE 99 far 0 85 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10399 from cnoeabs.peaks (1.10, 7.06, 130.20 ppm; 4.57 A): 3 out of 4 assignments used, quality = 1.00: HB2 LEU 51 + QE PHE 40 OK 100 100 100 100 2.2-4.4 3.1/8156=85, 9219/2.2=73...(20) HG LEU 51 + QE PHE 40 OK 100 100 100 100 4.3-5.2 2.1/8156=97, ~9220=57...(19) HD3 LYS 98 + QE PHE 99 OK 86 86 100 100 3.0-4.9 10148/2.2=83...(26) HB VAL 14 - QE PHE 99 far 0 79 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 10400 from cnoeabs.peaks (1.00, 7.06, 130.20 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 37 + QE PHE 40 OK 100 100 100 100 2.8-3.4 8265=64, 2.1/10395=62...(22) HB3 GLN 50 + QE PHE 40 OK 71 75 100 95 3.8-4.1 ~10752=37, 10754/2.2=30...(12) QG1 VAL 25 - QE PHE 40 far 0 87 0 - 5.1-5.9 QG2 THR 74 - QE PHE 99 far 0 50 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 10402 from cnoeabs.peaks (0.85, 7.06, 130.20 ppm; 3.67 A): 2 out of 11 assignments used, quality = 1.00: QD1 LEU 51 + QE PHE 40 OK 100 100 100 100 2.2-3.2 8156=99, 9220/2.2=60...(28) HD2 LYS 98 + QE PHE 99 OK 65 80 85 96 2.8-4.8 ~10148=39, 10161/2.2=28...(25) QG2 VAL 102 - QE PHE 99 far 13 85 15 - 4.0-4.5 QG2 VAL 25 - QE PHE 40 far 5 100 5 - 4.2-5.4 QD1 LEU 12 - QE PHE 40 far 0 100 0 - 5.0-6.7 QD1 LEU 12 - QE PHE 99 far 0 88 0 - 7.5-8.0 QG1 VAL 103 - QE PHE 40 far 0 91 0 - 9.0-11.5 QG1 VAL 103 - QE PHE 99 far 0 76 0 - 9.1-10.2 QG2 ILE 11 - QE PHE 99 far 0 89 0 - 9.8-10.3 QG2 ILE 11 - QE PHE 40 far 0 100 0 - 9.8-11.0 QG2 VAL 102 - QE PHE 40 far 0 98 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10405 from cnoeabs.peaks (9.32, 6.96, 131.04 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: H PHE 41 + QE PHE 41 OK 97 97 100 100 4.4-5.4 6503/2.2=97, 6502/4.4=85...(5) H TRP 42 + QE PHE 41 OK 87 90 100 97 4.7-5.9 9236/11151=74...(4) Violated in 0 structures by 0.00 A. Peak 10406 from cnoeabs.peaks (2.46, 6.96, 131.04 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.95: HB3 ASN 20 + QE PHE 41 OK 95 97 100 99 3.0-4.7 8113/2.2=91, ~8112=75...(5) HG2 GLN 19 - QE PHE 41 far 0 65 0 - 6.7-9.7 Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (0.83, 6.96, 131.04 ppm; 4.73 A): 2 out of 6 assignments used, quality = 1.00: QD1 LEU 17 + QE PHE 41 OK 99 99 100 100 1.9-2.4 2.1/10830=87...(15) QD2 LEU 17 + QE PHE 41 OK 96 96 100 100 3.3-4.4 10830=99, ~10938=56...(16) QD1 LEU 109 - QE PHE 41 far 5 97 5 - 5.2-16.5 HG LEU 15 - QE PHE 41 far 0 97 0 - 6.4-7.1 QG2 ILE 23 - QE PHE 41 far 0 85 0 - 7.4-7.9 QD1 LEU 12 - QE PHE 41 far 0 94 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 10408 from cnoeabs.peaks (0.12, 6.96, 131.04 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 15 + QE PHE 41 OK 100 100 100 100 3.5-4.3 8821/2.2=91...(10) QB ALA 22 + QE PHE 41 OK 99 99 100 100 3.0-3.6 8135/2.2=98, 11151=96...(14) Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (5.14, 7.34, 121.96 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.97: HA ASP 46 + HZ3 TRP 42 OK 97 97 100 100 4.2-4.8 9262/2.5=96...(6) HA ASN 20 - HZ3 TRP 42 far 0 65 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10410 from cnoeabs.peaks (5.14, 8.16, 120.29 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.98: HA ASP 46 + HE3 TRP 42 OK 98 98 100 100 2.9-3.4 9262=99, 6561/9263=96...(8) HA ASN 20 - HE3 TRP 42 far 0 71 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 10506 from cnoeabs.peaks (2.17, 7.30, 131.10 ppm; 5.84 A): 4 out of 10 assignments used, quality = 0.99: HB VAL 102 + QE PHE 104 OK 77 77 100 100 2.3-3.5 ~11147=80, ~10828=69...(16) HG12 ILE 90 + QE PHE 79 OK 73 73 100 100 3.2-4.8 2.1/10685=100, 9484=36...(8) HG3 GLN 96 + QE PHE 104 OK 60 60 100 100 5.0-5.2 10965=67, 3.5/10958=66...(12) HB3 GLU 94 + QE PHE 79 OK 54 95 100 57 4.7-5.8 3562/10685=33...(5) HG2 GLU 94 - QE PHE 79 far 0 91 0 - 6.6-7.7 HB3 GLU 94 - QE PHE 104 far 0 83 0 - 6.7-7.3 HG12 ILE 90 - QE PHE 104 far 0 61 0 - 7.1-8.8 HB VAL 102 - QE PHE 79 far 0 90 0 - 8.2-9.1 HG2 GLU 94 - QE PHE 104 far 0 78 0 - 8.5-9.1 HG3 GLN 96 - QE PHE 79 far 0 71 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 10507 from cnoeabs.peaks (0.93, 7.30, 131.10 ppm; 5.47 A): 4 out of 9 assignments used, quality = 1.00: QG1 VAL 76 + QE PHE 104 OK 87 87 100 100 3.2-4.0 9918/2.2=94, ~10504=76...(14) QG1 VAL 76 + QE PHE 79 OK 86 98 90 98 4.9-6.4 ~9920=58, ~10837=51...(10) QG1 VAL 14 + QE PHE 104 OK 81 81 100 100 2.2-3.1 11228=90, 11227/2.2=86...(15) QG2 VAL 103 + QE PHE 104 OK 50 58 100 86 5.4-5.9 ~10729=53, ~10865=23...(7) QG1 VAL 14 - QE PHE 79 poor 19 93 20 - 5.8-7.7 HB2 LEU 15 - QE PHE 104 far 0 68 0 - 7.6-8.4 QG2 THR 74 - QE PHE 79 far 0 71 0 - 9.4-10.0 QG1 VAL 69 - QE PHE 104 far 0 52 0 - 9.9-10.4 QG2 THR 74 - QE PHE 104 far 0 60 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10508 from cnoeabs.peaks (0.85, 7.30, 131.10 ppm; 4.87 A): 2 out of 13 assignments used, quality = 0.95: QG2 VAL 102 + QE PHE 104 OK 88 88 100 100 3.9-4.5 11147/2.2=88, ~10828=50...(17) HD2 LYS 98 + QE PHE 79 OK 55 94 65 91 3.8-6.2 ~10700=29, 3.0/10149=26...(13) QG1 VAL 103 - QE PHE 104 far 4 77 5 - 5.5-5.8 HD2 LYS 98 - QE PHE 104 far 0 82 0 - 6.0-7.8 QD1 LEU 12 - QE PHE 104 far 0 91 0 - 7.2-7.7 QG2 VAL 102 - QE PHE 79 far 0 99 0 - 7.2-8.1 QG2 ILE 11 - QE PHE 104 far 0 91 0 - 7.2-7.8 QD1 LEU 109 - QE PHE 104 far 0 90 0 - 7.6-13.7 HG LEU 15 - QE PHE 104 far 0 90 0 - 7.9-8.7 HB2 LYS 84 - QE PHE 79 far 0 98 0 - 9.1-10.8 QD1 LEU 17 - QE PHE 104 far 0 86 0 - 9.1-10.0 QD2 LEU 17 - QE PHE 104 far 0 90 0 - 9.2-9.9 QG2 VAL 25 - QE PHE 104 far 0 91 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10509 from cnoeabs.peaks (0.65, 7.30, 131.10 ppm; 4.79 A): 2 out of 4 assignments used, quality = 0.98: QD1 ILE 90 + QE PHE 79 OK 96 97 100 99 2.2-2.8 10685=97, 8522/8521=30...(10) QD2 LEU 12 + QE PHE 104 OK 31 81 45 85 5.2-5.9 8504/10502=40...(6) QD1 ILE 90 - QE PHE 104 poor 7 86 25 34 4.6-6.0 10933/10511=22, 8522/10842=14 QD2 LEU 12 - QE PHE 79 far 0 93 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 10510 from cnoeabs.peaks (0.57, 7.30, 131.10 ppm; 6.00 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 83 + QE PHE 79 OK 99 99 100 100 2.5-3.0 2.1/10584=100...(17) QD1 LEU 83 + QE PHE 79 OK 75 75 100 100 2.6-3.5 ~10590=88, 10584=75...(14) QD1 LEU 83 - QE PHE 104 lone 1 63 95 2 5.5-6.6 QD2 LEU 83 - QE PHE 104 far 0 90 0 - 6.9-7.9 QD1 ILE 77 - QE PHE 104 far 0 85 0 - 8.4-9.0 QD1 ILE 77 - QE PHE 79 far 0 96 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10511 from cnoeabs.peaks (-0.03, 7.30, 131.10 ppm; 5.58 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 95 + QE PHE 79 OK 99 100 100 100 2.0-4.6 10124/10685=88...(7) QB ALA 95 + QE PHE 104 OK 90 91 100 99 1.9-2.5 10131/2.2=93...(7) HB VAL 21 - QE PHE 104 far 0 89 0 - 7.4-8.1 HB VAL 21 - QE PHE 79 far 0 99 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 10512 from cnoeabs.peaks (5.10, 6.81, 114.23 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: HA ASN 20 + HZ2 TRP 80 OK 99 99 100 100 2.1-2.8 3.0/8114=92...(8) Violated in 0 structures by 0.00 A. Peak 10513 from cnoeabs.peaks (4.49, 6.81, 114.23 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.85: HA GLN 19 + HZ2 TRP 80 OK 85 100 100 85 2.9-4.4 3.6/8114=79, 9425/11007=24 HA GLN 89 - HZ2 TRP 80 far 0 99 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. Peak 10515 from cnoeabs.peaks (3.87, 6.87, 124.11 ppm; 5.77 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 43 + HH2 TRP 80 OK 100 100 100 100 3.5-4.2 11129=100, 1.8/9247=90...(7) HA GLN 81 + HH2 TRP 80 OK 98 100 100 98 4.5-4.6 10661/2.4=93...(5) Violated in 0 structures by 0.00 A. Peak 10517 from cnoeabs.peaks (2.72, 6.81, 114.23 ppm; 5.79 A): 2 out of 3 assignments used, quality = 0.93: HE2 LYS 84 + HZ2 TRP 80 OK 89 89 100 100 2.3-5.3 1.8/11007=88...(7) HB3 ASP 18 + HZ2 TRP 80 OK 41 85 65 74 5.8-6.9 ~10514=65, 8862/8114=26 HB2 ASP 18 - HZ2 TRP 80 far 0 80 0 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 10704 from cnoeabs.peaks (3.50, 6.93, 128.27 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.96: HA VAL 76 + HZ PHE 99 OK 96 96 100 100 2.7-3.3 9922/2.2=94...(16) HA ALA 95 - HZ PHE 99 far 0 75 0 - 6.3-7.1 HB3 TRP 80 - HZ PHE 99 far 0 73 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 10705 from cnoeabs.peaks (0.93, 6.93, 128.27 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.99: QG1 VAL 76 + HZ PHE 99 OK 99 99 100 100 4.7-5.0 2.1/10984=100, 10985=96...(15) QG2 THR 74 - HZ PHE 99 far 8 75 10 - 6.5-7.3 QG1 VAL 14 - HZ PHE 99 far 0 95 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 10709 from cnoeabs.peaks (0.81, 7.15, 127.26 ppm; 6.00 A): 0 out of 7 assignments used, quality = 0.00: QD2 LEU 17 - HD1 TRP 16 far 10 65 15 - 6.3-7.1 QG2 ILE 90 - HD1 TRP 16 far 4 84 5 - 6.4-7.7 QD1 LEU 17 - HD1 TRP 16 far 0 79 0 - 7.5-8.4 QD1 LEU 109 - HD1 TRP 16 far 0 69 0 - 7.8-17.2 HG LEU 15 - HD1 TRP 16 far 0 69 0 - 8.2-8.9 QG2 ILE 23 - HD1 TRP 16 far 0 100 0 - 9.7-10.7 HB2 LYS 84 - HD1 TRP 16 far 0 75 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 10710 from cnoeabs.peaks (11.11, 6.83, 127.11 ppm; 5.93 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 42 + HD1 TRP 42 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 10711 from cnoeabs.peaks (7.29, 6.83, 127.11 ppm; 5.85 A): 1 out of 4 assignments used, quality = 0.99: HE3 TRP 80 + HD1 TRP 42 OK 99 100 100 100 4.7-5.4 2.5/10712=83...(8) H ASN 20 - HD1 TRP 42 far 5 95 5 - 6.4-7.0 HH2 TRP 42 - HD1 TRP 42 far 0 94 0 - 6.6-6.6 HE22 GLN 81 - HD1 TRP 42 far 0 59 0 - 6.7-11.0 Violated in 0 structures by 0.00 A. Peak 10712 from cnoeabs.peaks (7.22, 6.83, 127.11 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.99: HZ3 TRP 80 + HD1 TRP 42 OK 99 100 100 99 4.1-5.0 10777/2.6=74...(8) Violated in 0 structures by 0.00 A. Peak 10713 from cnoeabs.peaks (3.52, 6.83, 127.11 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: HD2 PRO 43 + HD1 TRP 42 OK 98 99 100 99 3.6-4.6 1.8/8563=92, 11130=68...(4) HA PRO 43 + HD1 TRP 42 OK 92 100 100 92 4.2-4.3 3.6/8563=72...(4) HA THR 74 - HD1 TRP 42 far 0 85 0 - 9.1-10.1 HA VAL 76 - HD1 TRP 42 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10714 from cnoeabs.peaks (0.30, 6.83, 127.11 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 21 + HD1 TRP 42 OK 99 99 100 100 1.8-2.0 10860/2.6=85...(9) QG2 VAL 76 - HD1 TRP 42 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10715 from cnoeabs.peaks (3.16, 8.16, 120.29 ppm; 6.00 A): 3 out of 3 assignments used, quality = 1.00: HB3 ASP 46 + HE3 TRP 42 OK 99 99 100 100 4.9-6.1 3.0/9262=97, 4.6/9263=83...(9) HB2 TRP 42 + HE3 TRP 42 OK 98 98 100 100 2.4-2.4 4.2=100 HB3 TRP 42 + HE3 TRP 42 OK 98 98 100 100 3.8-3.9 4.2=100 Violated in 0 structures by 0.00 A. Peak 10716 from cnoeabs.peaks (1.45, 8.16, 120.29 ppm; 5.82 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 45 + HE3 TRP 42 OK 93 95 100 98 6.0-6.4 5.0/9262=72...(8) QB ALA 47 + HE3 TRP 42 OK 87 87 100 100 3.3-3.7 2.9/9263=97, 9282=87...(12) HG2 PRO 43 + HE3 TRP 42 OK 51 79 100 65 6.0-6.3 3.8/11283=58, 10780/4.7=16 HB ILE 77 - HE3 TRP 42 far 0 99 0 - 6.6-7.2 HB3 LEU 51 - HE3 TRP 42 far 0 71 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 10717 from cnoeabs.peaks (-0.32, 6.83, 127.11 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 77 + HD1 TRP 42 OK 99 99 100 100 3.7-4.6 9967=99, 10790/2.6=75...(9) Violated in 0 structures by 0.00 A. Peak 10718 from cnoeabs.peaks (7.88, 8.16, 120.29 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.93: H ALA 47 + HE3 TRP 42 OK 93 93 100 100 2.7-3.0 2.9/9282=95, 9263=93...(10) Violated in 0 structures by 0.00 A. Peak 10723 from cnoeabs.peaks (11.13, 7.22, 121.83 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: HE1 TRP 42 + HZ3 TRP 80 OK 98 98 100 100 2.2-2.9 10777=98, 2.6/10712=84...(8) Violated in 0 structures by 0.00 A. Peak 10725 from cnoeabs.peaks (3.52, 6.87, 124.11 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.97: HD2 PRO 43 + HH2 TRP 80 OK 97 97 100 100 3.3-4.6 1.8/11129=100, 9247=96...(8) HA PRO 43 - HH2 TRP 80 far 0 100 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 10726 from cnoeabs.peaks (5.10, 6.87, 124.11 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.97: HA ASN 20 + HH2 TRP 80 OK 97 97 100 100 2.7-3.2 10512/2.5=91, ~8114=77...(8) Violated in 0 structures by 0.00 A. Peak 10727 from cnoeabs.peaks (1.97, 7.04, 131.16 ppm; 5.55 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLN 27 + QD PHE 10 OK 100 100 100 100 3.0-3.5 3.0/9015=95...(20) HB3 GLN 27 + QD PHE 10 OK 100 100 100 100 3.8-4.8 3.0/9015=95...(19) HB VAL 69 + QD PHE 10 OK 90 100 90 100 5.8-6.2 ~8452=81, ~8453=79...(15) HB2 GLU 54 - QD PHE 10 far 0 95 0 - 6.8-7.4 HB VAL 6 - QD PHE 10 far 0 90 0 - 7.5-10.7 HB3 LEU 70 - QD PHE 10 far 0 86 0 - 9.2-9.6 HB3 GLU 63 - QD PHE 10 far 0 76 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 10728 from cnoeabs.peaks (2.44, 7.04, 131.16 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.95: HB2 ASP 65 + QD PHE 10 OK 95 96 100 100 2.3-2.8 3.0/10466=76...(10) Violated in 0 structures by 0.00 A. Peak 10729 from cnoeabs.peaks (2.27, 7.30, 132.56 ppm; 4.50 A): 3 out of 8 assignments used, quality = 1.00: HB2 GLU 75 + QD PHE 99 OK 99 100 100 99 3.4-3.9 10501/10168=61, ~9945=39...(17) HB3 GLU 75 + QD PHE 99 OK 98 100 100 98 3.7-4.5 ~9945=39, 10499/2.2=32...(17) HG3 GLU 101 + QD PHE 99 OK 79 96 100 82 3.9-4.5 10206/8844=67...(4) HB3 GLN 72 - QD PHE 99 far 5 99 5 - 5.0-5.7 HG2 GLU 101 - QD PHE 99 far 0 97 0 - 5.5-6.0 HG2 GLN 72 - QD PHE 99 far 0 85 0 - 6.4-7.1 HG2 GLN 96 - QD PHE 99 far 0 100 0 - 6.6-7.5 HG3 GLU 94 - QD PHE 99 far 0 95 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10730 from cnoeabs.peaks (2.21, 7.30, 132.56 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.85: HB VAL 102 + QD PHE 99 OK 85 85 100 100 3.7-4.1 2.1/8844=98, ~10216=62...(16) HG3 GLN 96 - QD PHE 99 far 0 96 0 - 8.1-9.0 HG3 GLU 94 - QD PHE 99 far 0 59 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10731 from cnoeabs.peaks (1.29, 7.30, 132.56 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.96: HB3 LYS 98 + QD PHE 99 OK 96 96 100 100 2.7-3.2 3.5/10148=66, 10145=54...(23) QB ALA 93 - QD PHE 99 far 0 94 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 10732 from cnoeabs.peaks (3.49, 7.30, 132.56 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.99: HA ALA 95 + QD PHE 99 OK 97 98 100 99 3.0-4.7 2.1/10856=81...(7) HA VAL 76 + QD PHE 99 OK 69 69 100 100 3.6-4.2 3.2/10168=81, 9921=67...(20) HB3 TRP 80 - QD PHE 99 far 0 97 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 10733 from cnoeabs.peaks (3.63, 7.30, 132.56 ppm; 4.75 A): 2 out of 3 assignments used, quality = 1.00: HD3 PRO 100 + QD PHE 99 OK 99 99 100 100 3.5-4.9 4.5=100 HB3 PHE 79 + QD PHE 99 OK 69 69 100 100 4.5-5.0 2.4/10846=82, ~10841=50...(12) HA2 GLY 97 - QD PHE 99 far 0 71 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 10734 from cnoeabs.peaks (3.81, 7.30, 132.56 ppm; 5.50 A increased from 5.18 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 98 + QD PHE 99 OK 100 100 100 100 5.0-5.4 2747/10148=85...(9) HB2 PHE 79 + QD PHE 99 OK 87 87 100 100 5.1-5.4 2.4/10846=95, ~11094=67...(17) HA ALA 73 - QD PHE 99 far 0 100 0 - 6.4-6.9 HB3 TRP 16 - QD PHE 99 far 0 69 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 10735 from cnoeabs.peaks (0.84, 6.61, 133.02 ppm; 5.71 A): 3 out of 11 assignments used, quality = 1.00: HG LEU 15 + QD TYR 39 OK 100 100 100 100 4.0-4.6 2.1/8822=93, 2.1/8825=87...(13) QD1 LEU 17 + QD TYR 39 OK 98 100 100 98 5.5-6.3 8126/8134=96...(3) QG2 ILE 23 + QD TYR 39 OK 64 69 100 93 4.6-5.5 3.2/10773=67...(4) QD1 LEU 109 - QD TYR 39 poor 20 100 20 - 5.3-12.4 QD1 LEU 12 - QD TYR 39 poor 20 99 20 - 6.1-7.1 QG1 VAL 103 - QD TYR 39 far 7 69 10 - 5.8-7.3 QD2 LEU 17 - QD TYR 39 far 0 100 0 - 6.6-7.2 QG2 VAL 25 - QD TYR 39 far 0 99 0 - 7.0-7.8 QD1 LEU 51 - QD TYR 39 far 0 92 0 - 7.0-8.0 QG2 VAL 102 - QD TYR 39 far 0 100 0 - 8.9-9.6 QG2 ILE 11 - QD TYR 39 far 0 97 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 10736 from cnoeabs.peaks (0.13, 6.61, 133.02 ppm; 4.36 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 22 + QD TYR 39 OK 100 100 100 100 2.3-3.0 8134=100, 8129/2.5=86...(12) QD1 LEU 15 + QD TYR 39 OK 99 99 100 100 2.4-2.8 8822=74, 8101/2.2=56...(14) Violated in 0 structures by 0.00 A. Peak 10737 from cnoeabs.peaks (0.20, 6.61, 133.02 ppm; 5.35 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 24 + QD TYR 39 OK 99 99 100 100 2.2-3.2 8147=99, 8146/3.7=83...(11) QG1 VAL 102 - QD TYR 39 far 0 89 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 10738 from cnoeabs.peaks (0.44, 6.35, 117.96 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 15 + QE TYR 39 OK 100 100 100 100 4.4-4.6 8104=99, 2.1/8101=94...(11) QD2 LEU 51 - QE TYR 39 far 0 65 0 - 7.0-8.6 QD1 LEU 55 - QE TYR 39 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10739 from cnoeabs.peaks (1.60, 6.35, 117.96 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.96: HB3 LYS 13 + QE TYR 39 OK 96 100 100 96 2.8-3.9 8797/8972=68...(6) HG13 ILE 77 - QE TYR 39 far 0 84 0 - 7.9-9.8 HB ILE 11 - QE TYR 39 far 0 73 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 10740 from cnoeabs.peaks (4.51, 6.61, 133.02 ppm; 5.74 A): 1 out of 2 assignments used, quality = 0.98: HA TYR 39 + QD TYR 39 OK 98 98 100 100 2.0-3.1 3.7=100 HA SER 107 - QD TYR 39 far 0 75 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 10741 from cnoeabs.peaks (4.23, 6.61, 133.02 ppm; 6.00 A): 2 out of 5 assignments used, quality = 0.98: HA ALA 24 + QD TYR 39 OK 86 86 100 100 4.1-5.4 2.1/8147=98, ~8972=72...(10) HA SER 38 + QD TYR 39 OK 86 98 100 87 3.5-5.2 1084/4.5=86, 656/8147=5 HA LEU 109 - QD TYR 39 far 7 75 10 - 5.5-13.3 HA ALA 47 - QD TYR 39 far 0 100 0 - 7.2-8.6 HA VAL 102 - QD TYR 39 far 0 97 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10742 from cnoeabs.peaks (7.72, 6.61, 133.02 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: H TYR 39 + QD TYR 39 OK 100 100 100 100 2.3-3.7 4.5=100 HE3 TRP 16 - QD TYR 39 far 0 65 0 - 8.2-8.9 H LEU 51 - QD TYR 39 far 0 90 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 10743 from cnoeabs.peaks (8.90, 6.61, 133.02 ppm; 6.00 A): 2 out of 3 assignments used, quality = 1.00: H LEU 15 + QD TYR 39 OK 98 98 100 100 3.4-3.9 8887/8134=93...(7) H ALA 24 + QD TYR 39 OK 95 95 100 100 3.9-5.3 2.9/8147=93, 8963/2.2=80...(9) H SER 105 - QD TYR 39 far 3 57 5 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 10744 from cnoeabs.peaks (9.07, 6.61, 133.02 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: H PHE 40 + QD TYR 39 OK 100 100 100 100 3.1-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 10745 from cnoeabs.peaks (8.89, 6.35, 117.96 ppm; 5.67 A): 4 out of 4 assignments used, quality = 1.00: H LEU 15 + QE TYR 39 OK 99 99 100 100 2.4-3.5 8887/8890=74...(9) H ALA 24 + QE TYR 39 OK 69 69 100 100 3.5-5.5 2.9/8972=80, 8963=66...(10) H LYS 13 + QE TYR 39 OK 60 71 100 84 4.6-5.8 4.0/10739=57...(4) H SER 105 + QE TYR 39 OK 57 89 100 64 4.5-5.4 10255/8104=46...(4) Violated in 0 structures by 0.00 A. Peak 10746 from cnoeabs.peaks (0.92, 6.35, 117.96 ppm; 5.66 A): 2 out of 5 assignments used, quality = 0.80: HB2 LEU 15 + QE TYR 39 OK 65 65 100 100 2.0-2.9 3.1/8104=84, 3.1/8101=78...(11) QG1 VAL 14 + QE TYR 39 OK 43 82 100 52 4.1-5.1 4.2/11050=39...(4) QG2 VAL 103 - QE TYR 39 far 8 84 10 - 6.0-7.2 QG1 VAL 76 - QE TYR 39 far 5 92 5 - 6.0-7.4 QG1 VAL 69 - QE TYR 39 far 0 79 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 10747 from cnoeabs.peaks (0.18, 6.35, 117.96 ppm; 5.82 A): 1 out of 1 assignment used, quality = 0.96: QB ALA 24 + QE TYR 39 OK 96 96 100 100 2.5-3.5 8972=95, 8147/2.2=94...(12) Violated in 0 structures by 0.00 A. Peak 10748 from cnoeabs.peaks (7.68, 7.12, 132.45 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.99: H LEU 51 + QD PHE 40 OK 96 96 100 100 3.5-4.3 6626/9219=86...(21) H TYR 39 + QD PHE 40 OK 74 75 100 99 5.6-5.8 3.0/10353=89...(4) Violated in 0 structures by 0.00 A. Peak 10749 from cnoeabs.peaks (9.07, 7.12, 132.45 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: H PHE 40 + QD PHE 40 OK 100 100 100 100 2.6-3.3 6488=100, 6486/2.5=80...(11) Violated in 0 structures by 0.00 A. Peak 10750 from cnoeabs.peaks (9.30, 7.12, 132.45 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: H PHE 41 + QD PHE 40 OK 100 100 100 100 3.7-4.3 4.6=100 H TRP 42 - QD PHE 40 far 0 100 0 - 7.3-7.5 H LEU 36 - QD PHE 40 far 0 82 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 10752 from cnoeabs.peaks (1.61, 7.12, 132.45 ppm; 4.85 A): 1 out of 7 assignments used, quality = 0.97: HB2 GLN 50 + QD PHE 40 OK 97 97 100 100 2.4-3.1 1.8/10754=63...(14) HB2 ARG 44 - QD PHE 40 far 0 99 0 - 7.3-8.1 HB3 LYS 13 - QD PHE 40 far 0 98 0 - 7.3-9.7 HG13 ILE 77 - QD PHE 40 far 0 59 0 - 7.6-8.4 HG2 ARG 44 - QD PHE 40 far 0 59 0 - 7.6-9.5 HB2 LEU 55 - QD PHE 40 far 0 99 0 - 9.0-9.6 HB2 LEU 70 - QD PHE 40 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10753 from cnoeabs.peaks (1.43, 7.12, 132.45 ppm; 4.19 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 47 + QD PHE 40 OK 100 100 100 100 3.5-4.2 9289=100, 8307/2.5=78...(22) QB ALA 45 + QD PHE 40 OK 52 63 100 83 4.2-4.8 8296/9389=32...(8) HB3 LYS 52 - QD PHE 40 far 0 65 0 - 7.5-8.3 HG LEU 70 - QD PHE 40 far 0 100 0 - 8.2-8.5 QB ALA 57 - QD PHE 40 far 0 99 0 - 8.8-8.9 HB ILE 77 - QD PHE 40 far 0 77 0 - 9.3-10.0 HB2 LEU 36 - QD PHE 40 far 0 82 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10754 from cnoeabs.peaks (1.02, 7.12, 132.45 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 50 + QD PHE 40 OK 99 100 100 100 3.0-3.4 1.8/10752=63...(15) QG2 THR 37 + QD PHE 40 OK 44 82 55 97 4.6-5.2 8265/2.2=48, ~10395=47...(12) Violated in 0 structures by 0.00 A. Peak 10755 from cnoeabs.peaks (0.77, 7.12, 132.45 ppm; 4.70 A): 2 out of 7 assignments used, quality = 0.97: QD1 ILE 23 + QD PHE 40 OK 95 95 100 100 3.0-3.7 8904=95, 2.1/8902=80...(20) QG2 ILE 23 + QD PHE 40 OK 46 71 65 100 4.7-5.4 3.3/8904=71, 3.2/8902=67...(12) HG2 LYS 52 - QD PHE 40 far 0 88 0 - 6.9-8.2 QG2 VAL 69 - QD PHE 40 far 0 99 0 - 7.3-7.5 QD2 LEU 36 - QD PHE 40 far 0 91 0 - 8.1-8.4 HB3 LEU 55 - QD PHE 40 far 0 100 0 - 9.8-10.1 QD2 LEU 109 - QD PHE 40 far 0 95 0 - 10.0-17.6 Violated in 0 structures by 0.00 A. Peak 10756 from cnoeabs.peaks (3.47, 7.12, 132.45 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 51 + QD PHE 40 OK 99 100 100 100 3.1-3.8 1483/9220=66...(18) HB2 SER 38 + QD PHE 40 OK 33 97 45 76 4.6-5.0 8271/2.2=36, 8271/3.8=21...(8) HA GLN 49 - QD PHE 40 far 0 92 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 10757 from cnoeabs.peaks (3.68, 7.12, 132.45 ppm; 5.44 A increased from 5.12 A): 1 out of 3 assignments used, quality = 0.93: HA GLN 50 + QD PHE 40 OK 93 93 100 100 4.8-5.2 3.0/10752=79...(12) HB3 SER 38 - QD PHE 40 far 0 91 0 - 6.2-6.5 HA LEU 55 - QD PHE 40 far 0 82 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 10758 from cnoeabs.peaks (3.69, 7.06, 130.20 ppm; 5.32 A): 3 out of 7 assignments used, quality = 1.00: HA GLN 50 + QE PHE 40 OK 99 100 100 100 4.4-4.7 10757/2.2=72, ~10752=53...(12) HB3 SER 38 + QE PHE 40 OK 94 99 100 95 5.4-5.8 1090/10881=61...(7) HB3 PHE 79 + QE PHE 99 OK 70 70 100 100 2.3-2.8 9992/2.2=80...(16) HA GLN 96 - QE PHE 99 far 0 88 0 - 7.1-7.7 HA LEU 55 - QE PHE 40 far 0 96 0 - 7.4-7.8 HA2 GLY 97 - QE PHE 99 far 0 69 0 - 8.4-9.1 HA LEU 83 - QE PHE 99 far 0 88 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 10759 from cnoeabs.peaks (0.47, 7.12, 132.45 ppm; 4.61 A): 1 out of 5 assignments used, quality = 1.00: QD2 LEU 51 + QD PHE 40 OK 100 100 100 100 3.7-4.3 2.1/9220=88...(28) QG2 VAL 14 - QD PHE 40 far 0 82 0 - 6.6-7.4 HG12 ILE 77 - QD PHE 40 far 0 85 0 - 7.7-8.4 HB2 LYS 52 - QD PHE 40 far 0 100 0 - 8.7-9.2 QD2 LEU 15 - QD PHE 40 far 0 69 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10760 from cnoeabs.peaks (4.59, 7.09, 128.43 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: HB THR 37 + HZ PHE 40 OK 100 100 100 100 2.0-3.1 10395/2.2=96, ~10400=74...(13) Violated in 0 structures by 0.00 A. Peak 10762 from cnoeabs.peaks (4.24, 7.06, 130.20 ppm; 6.00 A): 3 out of 5 assignments used, quality = 1.00: HA SER 38 + QE PHE 40 OK 99 100 100 99 5.6-6.0 3.0/10881=80...(10) HA ALA 24 + QE PHE 40 OK 99 99 100 100 3.0-4.5 8966/2.2=97, 9221/6.5=56...(8) HA ALA 47 + QE PHE 40 OK 96 96 100 100 5.3-5.6 9288/2.2=87, ~9289=83...(10) HA VAL 102 - QE PHE 99 far 0 89 0 - 7.5-8.1 HB THR 74 - QE PHE 99 far 0 80 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 10763 from cnoeabs.peaks (3.47, 7.09, 128.43 ppm; 5.94 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 51 + HZ PHE 40 OK 100 100 100 100 2.5-3.9 1483/10768=81...(21) HB2 SER 38 + HZ PHE 40 OK 89 91 100 98 4.5-5.3 9181/10760=54...(10) HA GLN 49 - HZ PHE 40 far 0 98 0 - 8.4-8.8 HA ARG 66 - HZ PHE 40 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 10764 from cnoeabs.peaks (2.35, 7.09, 128.43 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: HG2 GLU 54 + HZ PHE 40 OK 100 100 100 100 1.8-1.9 9946/2.2=81...(24) HG2 GLU 56 - HZ PHE 40 far 0 70 0 - 9.1-10.9 HB2 PHE 41 - HZ PHE 40 far 0 71 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 10765 from cnoeabs.peaks (2.26, 7.09, 128.43 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 54 + HZ PHE 40 OK 100 100 100 100 2.5-3.6 1.8/10764=81, ~9946=69...(21) HB3 GLN 49 - HZ PHE 40 far 0 100 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 10766 from cnoeabs.peaks (2.14, 7.09, 128.43 ppm; 5.51 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLU 54 + HZ PHE 40 OK 100 100 100 100 2.6-3.5 1649/10765=82...(24) HG2 GLU 110 - HZ PHE 40 far 0 79 0 - 9.0-24.4 Violated in 0 structures by 0.00 A. Peak 10767 from cnoeabs.peaks (1.00, 7.09, 128.43 ppm; 5.14 A): 2 out of 3 assignments used, quality = 1.00: QG2 THR 37 + HZ PHE 40 OK 100 100 100 100 2.7-4.1 10400/2.2=90...(15) HB3 GLN 50 + HZ PHE 40 OK 69 75 100 92 4.5-5.2 1.8/9385=43...(7) QG1 VAL 25 - HZ PHE 40 far 0 87 0 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 10768 from cnoeabs.peaks (0.85, 7.09, 128.43 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 51 + HZ PHE 40 OK 99 99 100 100 3.4-5.0 8156/2.2=100...(20) QG2 VAL 25 - HZ PHE 40 far 5 100 5 - 5.8-7.4 QD1 LEU 12 - HZ PHE 40 far 0 100 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. Peak 10769 from cnoeabs.peaks (0.28, 7.06, 130.20 ppm; 5.46 A): 2 out of 4 assignments used, quality = 0.94: QG2 VAL 76 + QE PHE 99 OK 83 83 100 100 2.9-3.1 10984/2.2=95...(24) HG2 LYS 98 + QE PHE 99 OK 66 66 100 100 2.8-5.0 ~10148=63, ~10731=58...(22) QG1 VAL 21 - QE PHE 99 far 0 64 0 - 7.5-8.0 QG1 VAL 21 - QE PHE 40 far 0 79 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10771 from cnoeabs.peaks (4.52, 7.12, 132.45 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.99: HA TYR 39 + QD PHE 40 OK 99 99 100 100 4.2-4.8 10353=99, 6480/6488=91...(4) HA ALA 45 - QD PHE 40 far 0 100 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 10772 from cnoeabs.peaks (5.06, 7.06, 130.20 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.79: HA PHE 40 + QE PHE 40 OK 79 79 100 100 4.3-4.6 5.6=100 HA PRO 35 - QE PHE 40 far 0 98 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 10773 from cnoeabs.peaks (0.48, 6.70, 125.35 ppm; 5.31 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 51 + HD1 TRP 48 OK 100 100 100 100 3.2-3.5 10423=100, 8495/8478=96...(11) HG12 ILE 77 - HD1 TRP 48 far 0 90 0 - 6.3-6.6 QG2 VAL 14 - HD1 TRP 48 far 0 87 0 - 6.6-6.9 HB2 LYS 52 - HD1 TRP 48 far 0 100 0 - 7.3-8.7 Violated in 0 structures by 0.00 A. Peak 10776 from cnoeabs.peaks (0.05, 7.30, 120.80 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.98: HG12 ILE 61 + HE3 TRP 60 OK 88 96 100 92 5.4-6.4 3.8/10891=63...(5) HG13 ILE 61 + HE3 TRP 60 OK 81 92 95 93 5.6-6.5 3.8/10891=63...(6) Violated in 0 structures by 0.00 A. Peak 10778 from cnoeabs.peaks (1.57, 7.20, 127.30 ppm; 6.00 A): 1 out of 4 assignments used, quality = 0.98: HB3 LYS 58 + HD1 TRP 60 OK 98 98 100 100 3.2-4.0 9618/6794=84, ~9600=83...(18) HG LEU 36 - HD1 TRP 60 far 0 100 0 - 8.0-8.2 QB ALA 62 - HD1 TRP 60 far 0 99 0 - 8.5-8.6 HB2 LEU 55 - HD1 TRP 60 far 0 61 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10779 from cnoeabs.peaks (1.35, 7.20, 127.30 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HD1 TRP 60 OK 100 100 100 100 4.4-5.7 9596/2.6=97, ~9594=85...(18) QB ALA 3 - HD1 TRP 60 far 0 77 0 - 9.1-16.4 Violated in 0 structures by 0.00 A. Peak 10780 from cnoeabs.peaks (0.34, 7.20, 127.30 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.99: HB2 LYS 58 + HD1 TRP 60 OK 99 99 100 100 1.9-2.2 8413/9579=90...(16) QG2 ILE 61 + HD1 TRP 60 OK 30 100 30 100 6.2-6.7 1915/6794=87...(6) QD2 LEU 55 - HD1 TRP 60 far 0 99 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 10781 from cnoeabs.peaks (2.26, 6.93, 128.27 ppm; 4.93 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 75 + HZ PHE 99 OK 99 99 100 100 3.7-4.7 10501/10984=73, ~9945=47...(16) HB3 GLU 75 + HZ PHE 99 OK 98 99 100 99 3.3-4.0 ~9945=47, 10499/2.2=35...(17) HG3 GLU 101 - HZ PHE 99 far 0 91 0 - 8.1-8.7 HB3 GLN 72 - HZ PHE 99 far 0 95 0 - 8.5-9.0 HG2 GLN 72 - HZ PHE 99 far 0 73 0 - 9.4-10.0 HG2 GLU 101 - HZ PHE 99 far 0 92 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10782 from cnoeabs.peaks (3.66, 6.93, 128.27 ppm; 5.78 A): 1 out of 4 assignments used, quality = 0.99: HB3 PHE 79 + HZ PHE 99 OK 99 99 100 100 2.5-2.9 9992=99, 1.8/10849=97...(14) HD3 PRO 100 - HZ PHE 99 far 0 73 0 - 7.5-8.2 HA GLN 96 - HZ PHE 99 far 0 61 0 - 9.2-9.9 HA LEU 83 - HZ PHE 99 far 0 79 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10783 from cnoeabs.peaks (0.30, 7.22, 121.83 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.98: QG1 VAL 21 + HZ3 TRP 80 OK 98 99 100 100 3.3-3.5 8875/2.5=96...(10) QG2 VAL 76 - HZ3 TRP 80 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10784 from cnoeabs.peaks (0.91, 7.36, 124.14 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.87: QG1 VAL 76 + HH2 TRP 16 OK 77 79 100 98 4.1-4.8 9915/2.4=79...(8) QG1 VAL 14 + HH2 TRP 16 OK 43 65 100 65 4.8-5.7 8834/7.3=34, 8839/4.3=28...(5) Violated in 0 structures by 0.00 A. Peak 10786 from cnoeabs.peaks (3.48, 7.36, 124.14 ppm; 6.00 A): 3 out of 3 assignments used, quality = 1.00: HB3 TRP 80 + HH2 TRP 16 OK 99 99 100 100 4.4-5.2 3.0/10008=99, 10981=87...(7) HA ALA 95 + HH2 TRP 16 OK 71 99 100 72 4.6-5.9 ~10934=48...(3) HA VAL 76 + HH2 TRP 16 OK 63 63 100 99 5.3-6.1 ~9915=74, 7152/11037=53...(9) Violated in 0 structures by 0.00 A. Peak 10787 from cnoeabs.peaks (4.72, 7.68, 119.97 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.99: HA TRP 16 + HE3 TRP 16 OK 99 99 100 100 2.0-3.3 4.8=100 HA PHE 79 - HE3 TRP 16 far 0 91 0 - 9.3-9.9 HA ILE 90 - HE3 TRP 16 far 0 61 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10788 from cnoeabs.peaks (0.63, 7.48, 115.73 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 83 + HZ2 TRP 16 OK 78 78 100 99 1.9-2.0 2.1/10588=85...(7) QD1 ILE 90 + HZ2 TRP 16 OK 67 76 100 87 2.2-4.4 10686=77, 10297/2.5=27 Violated in 0 structures by 0.00 A. Peak 10790 from cnoeabs.peaks (0.11, 6.83, 129.42 ppm; 5.37 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 15 + HZ PHE 41 OK 99 99 100 100 3.4-4.3 8821=98, 2.1/8824=87...(7) QB ALA 22 + HZ PHE 41 OK 96 96 100 100 3.8-4.3 11151/2.2=97, 11152=93...(9) Violated in 0 structures by 0.00 A. Peak 10792 from cnoeabs.peaks (0.32, 7.04, 131.16 ppm; 5.25 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 55 + QD PHE 10 OK 96 96 100 100 2.9-3.2 8248/8238=95...(16) QG2 ILE 61 + QD PHE 10 OK 89 89 100 100 3.5-4.7 8383/2.2=88...(14) HB2 LYS 58 - QD PHE 10 far 0 67 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 10793 from cnoeabs.peaks (0.32, 7.25, 131.12 ppm; 5.53 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 55 + QE PHE 10 OK 99 99 100 100 3.3-3.6 11255=80, 8250/10879=63...(16) QG2 ILE 61 + QE PHE 10 OK 95 95 100 100 2.6-4.0 8383=95, 11038/2.2=94...(21) HB2 LYS 58 + QE PHE 10 OK 72 78 95 98 5.5-6.2 1.8/9570=75, 3.6/9573=70...(6) Violated in 0 structures by 0.00 A. Peak 10796 from cnoeabs.peaks (3.88, 7.32, 129.98 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.88: HA ILE 61 + HZ PHE 10 OK 88 88 100 100 2.4-2.6 3.2/11038=94...(12) Violated in 0 structures by 0.00 A. Peak 10798 from cnoeabs.peaks (0.34, 7.32, 129.98 ppm; 5.49 A): 3 out of 3 assignments used, quality = 1.00: QG2 ILE 61 + HZ PHE 10 OK 100 100 100 100 2.6-4.2 8383/2.2=99, 11038=98...(15) QD2 LEU 55 + HZ PHE 10 OK 89 97 100 91 5.3-5.5 8351/11045=54...(7) HB2 LYS 58 + HZ PHE 10 OK 65 100 75 87 5.9-6.6 ~9570=55, 9547/11045=51...(6) Violated in 0 structures by 0.00 A. Peak 10799 from cnoeabs.peaks (0.07, 7.32, 129.98 ppm; 6.00 A): 3 out of 3 assignments used, quality = 0.98: QD1 ILE 61 + HZ PHE 10 OK 77 77 100 100 2.0-2.3 3.3/11038=93...(16) HG12 ILE 61 + HZ PHE 10 OK 73 73 100 100 4.5-5.0 3.2/11038=94, ~8383=73...(15) HG13 ILE 61 + HZ PHE 10 OK 65 65 100 100 3.1-4.9 3.2/11038=94, ~8383=73...(16) Violated in 0 structures by 0.00 A. Peak 10801 from cnoeabs.peaks (1.10, 7.32, 129.98 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.90: QG2 THR 8 + HZ PHE 10 OK 90 92 100 98 3.8-4.0 8025/3.8=80, 8023=63...(7) HG3 ARG 66 - HZ PHE 10 far 12 80 15 - 6.2-9.0 QG2 THR 5 - HZ PHE 10 far 0 77 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. Peak 10802 from cnoeabs.peaks (4.48, 7.04, 131.16 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.97: HA SER 9 + QD PHE 10 OK 97 97 100 100 2.2-2.3 8697=98, 3.6/6075=97...(10) HA TRP 60 - QD PHE 10 far 0 80 0 - 8.8-9.0 HA ASN 68 - QD PHE 10 far 0 82 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 10804 from cnoeabs.peaks (3.77, 7.48, 115.73 ppm; 6.00 A): 2 out of 5 assignments used, quality = 1.00: HA TRP 80 + HZ2 TRP 16 OK 100 100 100 100 2.7-4.6 10008/2.5=100...(12) HB3 TRP 16 + HZ2 TRP 16 OK 78 100 100 79 6.2-6.3 6.5=78 HA LYS 84 - HZ2 TRP 16 far 4 73 5 - 6.5-9.4 HB2 PHE 79 - HZ2 TRP 16 far 0 95 0 - 7.5-8.2 HA LYS 98 - HZ2 TRP 16 far 0 61 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 10805 from cnoeabs.peaks (8.16, 7.69, 132.28 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: H PHE 79 + QD PHE 79 OK 100 100 100 100 4.1-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 10806 from cnoeabs.peaks (8.87, 7.69, 132.28 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.98: H TRP 80 + QD PHE 79 OK 98 98 100 100 3.1-4.0 4.5=100 H LEU 15 - QD PHE 79 far 0 89 0 - 9.4-10.6 H GLU 101 - QD PHE 79 far 0 95 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 10807 from cnoeabs.peaks (7.67, 7.36, 124.14 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: HE3 TRP 16 + HH2 TRP 16 OK 100 100 100 100 4.3-4.3 4.3=100 QD PHE 79 + HH2 TRP 16 OK 96 98 100 98 2.6-3.3 10006/10008=56...(14) H LYS 84 - HH2 TRP 16 far 0 96 0 - 6.6-8.0 H GLU 94 - HH2 TRP 16 far 0 80 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 10808 from cnoeabs.peaks (8.88, 7.36, 124.14 ppm; 5.84 A): 1 out of 3 assignments used, quality = 1.00: H TRP 80 + HH2 TRP 16 OK 100 100 100 100 3.6-4.4 11037=100, 2.9/10008=98...(13) H LEU 15 - HH2 TRP 16 far 0 99 0 - 8.9-9.4 H SER 105 - HH2 TRP 16 far 0 91 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 10810 from cnoeabs.peaks (4.61, 6.90, 131.10 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.99: HA PHE 41 + QD PHE 41 OK 99 99 100 100 2.8-3.1 3.7=100 HB THR 37 - QD PHE 41 far 0 96 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10811 from cnoeabs.peaks (7.49, 7.34, 121.96 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.94: HZ2 TRP 42 + HZ3 TRP 42 OK 94 94 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 10812 from cnoeabs.peaks (7.51, 7.50, 121.41 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 10817 from cnoeabs.peaks (-0.31, 7.51, 114.90 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: QG2 ILE 77 + HZ2 TRP 42 OK 98 98 100 100 2.5-2.8 9966=98, 10790/2.8=72...(9) Violated in 0 structures by 0.00 A. Peak 10818 from cnoeabs.peaks (3.98, 6.70, 125.35 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.79: HA LEU 70 + HD1 TRP 48 OK 79 79 100 100 3.3-3.5 9341/2.6=95, 4.0/9842=83...(14) Violated in 0 structures by 0.00 A. Peak 10819 from cnoeabs.peaks (1.24, 6.94, 121.94 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: HD2 LYS 52 + HZ3 TRP 48 OK 100 100 100 100 2.8-4.1 9430=100, 9429/2.4=90...(27) HG12 ILE 67 - HZ3 TRP 48 far 0 99 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10820 from cnoeabs.peaks (2.81, 6.94, 121.94 ppm; 5.94 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 52 + HZ3 TRP 48 OK 100 100 100 100 3.4-4.1 9444=99, 1.8/9440=99...(21) HB2 TRP 48 + HZ3 TRP 48 OK 81 90 100 90 4.8-6.3 6.4=79, 10892/4.3=25...(4) HD2 ARG 66 - HZ3 TRP 48 far 0 99 0 - 8.3-12.4 Violated in 0 structures by 0.00 A. Peak 10821 from cnoeabs.peaks (2.94, 6.94, 121.94 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HE2 LYS 52 + HZ3 TRP 48 OK 100 100 100 100 2.3-3.1 9439/2.4=100...(21) HD3 ARG 66 - HZ3 TRP 48 far 0 65 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 10823 from cnoeabs.peaks (1.24, 7.07, 124.04 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.99: HD2 LYS 52 + HH2 TRP 48 OK 99 99 100 100 3.3-5.2 9429=99, 1.8/9434=97...(22) HG12 ILE 67 - HH2 TRP 48 far 0 97 0 - 7.7-8.8 Violated in 4 structures by 0.01 A. Peak 10824 from cnoeabs.peaks (1.38, 7.07, 124.04 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.88: HB3 LYS 52 + HH2 TRP 48 OK 88 93 95 100 4.8-6.6 3.4/9429=93, 3.4/9434=93...(15) Violated in 11 structures by 0.23 A. Peak 10826 from cnoeabs.peaks (1.94, 7.32, 114.28 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 70 + HZ2 TRP 48 OK 100 100 100 100 3.3-3.8 9837=100, 1.8/9332=96...(21) HB VAL 69 - HZ2 TRP 48 far 0 79 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 10827 from cnoeabs.peaks (3.98, 7.32, 114.28 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.81: HA LEU 70 + HZ2 TRP 48 OK 81 81 100 100 4.7-4.9 2.9/9332=97, 9341/2.8=95...(13) HA ALA 64 - HZ2 TRP 48 far 0 97 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10828 from cnoeabs.peaks (-0.13, 7.07, 124.04 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 70 + HH2 TRP 48 OK 99 99 100 100 4.2-4.6 9840/2.5=99, 9841=98...(19) Violated in 0 structures by 0.00 A. Peak 10831 from cnoeabs.peaks (7.57, 7.27, 120.40 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: H GLN 49 + HE3 TRP 48 OK 100 100 100 100 3.1-3.6 9352=97, 3.0/8316=93...(9) HD21 ASN 78 - HE3 TRP 48 far 0 100 0 - 9.4-10.5 H GLU 75 - HE3 TRP 48 far 0 73 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10832 from cnoeabs.peaks (6.70, 7.26, 125.17 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 27 + HH2 TRP 60 OK 100 100 100 100 2.9-3.2 10812=88, 9148/9587=79...(12) Violated in 0 structures by 0.00 A. Peak 10833 from cnoeabs.peaks (6.70, 7.22, 122.45 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 27 + HZ3 TRP 60 OK 100 100 100 100 4.2-4.5 10812/2.4=100...(8) Violated in 0 structures by 0.00 A. Peak 10834 from cnoeabs.peaks (3.50, 7.69, 132.28 ppm; 4.97 A): 3 out of 3 assignments used, quality = 0.99: HA VAL 76 + QD PHE 79 OK 93 93 100 100 3.4-4.2 9920=93, 2398/2.4=88...(14) HA ALA 95 + QD PHE 79 OK 81 82 100 99 4.5-4.9 10133=82, 2.1/10838=54...(10) HB3 TRP 80 + QD PHE 79 OK 63 80 80 98 4.7-5.8 3.0/10006=76...(8) Violated in 0 structures by 0.00 A. Peak 10835 from cnoeabs.peaks (0.63, 7.69, 132.28 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.95: QD1 LEU 83 + QD PHE 79 OK 82 82 100 100 3.3-4.3 10584/2.2=79...(15) QD1 ILE 90 + QD PHE 79 OK 70 73 100 96 4.0-4.6 10509/2.2=74...(10) QD2 LEU 12 - QD PHE 79 far 0 100 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 10836 from cnoeabs.peaks (0.93, 7.69, 132.28 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.97: QG1 VAL 76 + QD PHE 79 OK 95 95 100 100 3.4-4.6 3.2/9920=93...(16) QG1 VAL 14 + QD PHE 79 OK 41 88 100 47 5.2-6.3 10917/10846=29...(5) QG2 THR 74 - QD PHE 79 far 0 63 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 10837 from cnoeabs.peaks (0.30, 7.69, 132.28 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 76 + QD PHE 79 OK 100 100 100 100 4.0-4.7 2393/9920=95...(17) QG1 VAL 21 - QD PHE 79 far 15 98 15 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 10838 from cnoeabs.peaks (-0.05, 7.69, 132.28 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.82: QB ALA 95 + QD PHE 79 OK 82 82 100 100 3.1-4.5 2.1/10133=95, ~8521=41...(10) HB VAL 21 - QD PHE 79 far 0 75 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 10839 from cnoeabs.peaks (0.55, 7.69, 132.28 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 83 + QD PHE 79 OK 99 99 100 100 3.2-3.9 ~10584=75, 10590=67...(18) QD1 ILE 77 - QD PHE 79 far 0 73 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 10840 from cnoeabs.peaks (6.96, 7.69, 132.28 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.73: HZ PHE 99 + QD PHE 79 OK 73 73 100 100 3.3-3.8 2.2/10841=81...(16) Violated in 0 structures by 0.00 A. Peak 10841 from cnoeabs.peaks (7.04, 7.69, 132.28 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 99 + QD PHE 79 OK 99 99 100 100 2.0-2.5 2.2/10846=80...(20) HE21 GLN 81 - QD PHE 79 far 0 97 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 10842 from cnoeabs.peaks (3.48, 7.30, 131.10 ppm; 6.00 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 95 + QE PHE 79 OK 100 100 100 100 2.9-4.3 8522/10685=95...(9) HA ALA 95 + QE PHE 104 OK 91 91 100 99 4.1-4.8 ~10131=77, ~11120=71...(8) HB3 TRP 80 + QE PHE 79 OK 44 100 45 97 6.2-7.6 ~10006=72, 3.0/2524=42...(7) HB3 TRP 80 - QE PHE 104 far 0 91 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 10844 from cnoeabs.peaks (7.67, 6.93, 128.27 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 79 + HZ PHE 99 OK 97 97 100 100 3.3-3.8 2.4/9992=99...(16) HE3 TRP 16 - HZ PHE 99 far 0 100 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 10845 from cnoeabs.peaks (6.86, 7.30, 132.56 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.98: HZ PHE 104 + QD PHE 99 OK 98 100 100 99 2.0-2.9 5727=49, 11147/8844=47...(14) Violated in 0 structures by 0.00 A. Peak 10846 from cnoeabs.peaks (7.69, 7.30, 132.56 ppm; 4.22 A increased from 3.97 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 79 + QD PHE 99 OK 99 100 100 100 3.9-4.1 10841/2.2=64, 5671=49...(22) HE3 TRP 16 - QD PHE 99 far 0 98 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 10847 from cnoeabs.peaks (7.68, 7.04, 130.40 ppm; 4.85 A): 2 out of 7 assignments used, quality = 1.00: QD PHE 79 + QE PHE 99 OK 99 99 100 100 2.0-2.5 10841=98, 10846/2.2=84...(22) H LEU 51 + QE PHE 40 OK 74 75 100 99 3.7-4.3 4.6/8156=68, ~10756=37...(15) H TYR 39 - QE PHE 40 far 0 54 0 - 5.9-6.3 HE3 TRP 16 - QE PHE 99 far 0 100 0 - 6.4-7.1 HE22 GLN 96 - QE PHE 99 far 0 59 0 - 8.8-10.4 H GLU 94 - QE PHE 99 far 0 71 0 - 9.0-9.9 H LYS 84 - QE PHE 99 far 0 90 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 10849 from cnoeabs.peaks (3.77, 6.93, 128.27 ppm; 4.88 A): 1 out of 4 assignments used, quality = 0.95: HB2 PHE 79 + HZ PHE 99 OK 95 95 100 100 2.0-2.2 1.8/9992=91, 8517=90...(16) HA LYS 98 - HZ PHE 99 far 0 61 0 - 6.5-7.5 HA TRP 80 - HZ PHE 99 far 0 100 0 - 6.7-7.1 HA ALA 73 - HZ PHE 99 far 0 61 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (2.26, 7.04, 130.40 ppm; 3.95 A): 3 out of 12 assignments used, quality = 1.00: HB2 GLU 75 + QE PHE 99 OK 97 99 100 98 2.0-3.4 3.0/9945=45, 10499=36...(15) HB3 GLU 75 + QE PHE 99 OK 96 99 100 97 2.0-2.7 3.0/9945=45, 10499=36...(15) HG3 GLU 54 + QE PHE 40 OK 83 83 100 100 3.7-4.4 1.8/9946=78, 8337/2.2=53...(18) HG3 GLU 101 - QE PHE 99 far 0 90 0 - 5.7-6.5 HB3 GLN 72 - QE PHE 99 far 0 95 0 - 6.2-7.1 HG2 GLU 101 - QE PHE 99 far 0 92 0 - 7.4-8.1 HG2 GLN 72 - QE PHE 99 far 0 73 0 - 7.4-8.3 HG2 GLN 96 - QE PHE 99 far 0 100 0 - 8.3-9.4 HG2 GLN 49 - QE PHE 40 far 0 48 0 - 8.5-8.9 HB3 GLN 49 - QE PHE 40 far 0 79 0 - 8.6-8.8 HG2 GLN 72 - QE PHE 40 far 0 54 0 - 9.6-11.1 HG3 GLU 94 - QE PHE 99 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10853 from cnoeabs.peaks (1.95, 7.04, 130.40 ppm; 5.14 A): 1 out of 11 assignments used, quality = 0.83: HB2 GLU 54 + QE PHE 40 OK 83 83 100 100 4.0-4.7 3.0/9946=88...(20) HB2 GLN 72 - QE PHE 99 far 9 63 15 - 5.5-6.5 HB3 GLU 101 - QE PHE 99 far 0 99 0 - 6.5-7.4 HB VAL 69 - QE PHE 40 far 0 74 0 - 7.1-8.5 HG13 ILE 90 - QE PHE 99 far 0 100 0 - 7.2-8.7 HG2 PRO 100 - QE PHE 99 far 0 99 0 - 7.2-7.7 HB2 GLU 94 - QE PHE 99 far 0 85 0 - 7.6-8.5 HG3 PRO 100 - QE PHE 99 far 0 99 0 - 7.8-8.0 HB ILE 90 - QE PHE 99 far 0 73 0 - 8.6-10.0 HB3 LEU 70 - QE PHE 40 far 0 82 0 - 9.4-10.4 HB3 GLN 27 - QE PHE 40 far 0 67 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 10854 from cnoeabs.peaks (0.28, 7.04, 130.40 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 76 + QE PHE 99 OK 99 99 100 100 2.9-3.1 10984/2.2=91...(24) HG2 LYS 98 + QE PHE 99 OK 69 69 100 100 2.8-5.0 ~10148=53, ~10731=48...(21) QG1 VAL 21 - QE PHE 99 far 0 88 0 - 7.5-8.0 QG1 VAL 21 - QE PHE 40 far 0 67 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10855 from cnoeabs.peaks (0.28, 6.93, 128.27 ppm; 5.33 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 76 + HZ PHE 99 OK 99 99 100 100 3.4-4.0 10984=99, 2.1/10985=82...(16) HG2 LYS 98 + HZ PHE 99 OK 58 69 95 88 3.8-6.0 10854/2.2=35, ~10402=26...(11) QG1 VAL 21 - HZ PHE 99 far 0 88 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 10856 from cnoeabs.peaks (-0.01, 7.30, 132.56 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.93: QB ALA 95 + QD PHE 99 OK 93 99 100 94 2.4-3.9 11120/10845=53...(9) HB VAL 21 - QD PHE 99 far 0 100 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 10858 from cnoeabs.peaks (3.11, 6.86, 128.16 ppm; 5.68 A): 1 out of 2 assignments used, quality = 0.95: HB3 PHE 99 + HZ PHE 104 OK 95 95 100 100 3.1-5.1 2.7/10845=97, 11105=81...(10) HB2 TRP 16 - HZ PHE 104 far 0 79 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 10859 from cnoeabs.peaks (2.98, 6.86, 128.16 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.62: HB2 PHE 99 + HZ PHE 104 OK 62 62 100 100 2.0-3.4 2.7/10845=99...(8) Violated in 0 structures by 0.00 A. Peak 10860 from cnoeabs.peaks (2.25, 6.86, 128.16 ppm; 6.00 A): 1 out of 7 assignments used, quality = 0.90: HG2 GLN 96 + HZ PHE 104 OK 90 90 100 100 4.7-5.5 ~10965=75, 10963/3.8=66...(9) HB2 GLU 75 - HZ PHE 104 far 0 85 0 - 7.3-8.2 HG3 GLU 101 - HZ PHE 104 far 0 64 0 - 7.9-8.7 HB3 GLU 75 - HZ PHE 104 far 0 83 0 - 8.2-8.9 HB3 GLN 72 - HZ PHE 104 far 0 73 0 - 8.8-9.4 HG2 GLU 101 - HZ PHE 104 far 0 66 0 - 8.9-9.8 HG3 GLU 94 - HZ PHE 104 far 0 96 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10861 from cnoeabs.peaks (0.84, 6.86, 128.16 ppm; 5.60 A): 2 out of 6 assignments used, quality = 0.97: QG2 VAL 102 + HZ PHE 104 OK 96 96 100 100 3.9-4.3 11147=99, 10211/10504=93...(15) HD2 LYS 98 + HZ PHE 104 OK 25 82 55 54 5.3-7.6 10161/10845=38...(5) QG1 VAL 103 - HZ PHE 104 far 0 76 0 - 6.7-7.2 QD1 LEU 12 - HZ PHE 104 far 0 97 0 - 7.9-8.5 QG2 ILE 11 - HZ PHE 104 far 0 96 0 - 8.9-9.2 QD1 LEU 109 - HZ PHE 104 far 0 97 0 - 9.5-16.3 Violated in 0 structures by 0.00 A. Peak 10862 from cnoeabs.peaks (0.91, 6.86, 128.16 ppm; 6.00 A): 1 out of 4 assignments used, quality = 0.62: QG1 VAL 76 + HZ PHE 104 OK 62 62 100 100 3.9-4.1 2.1/10504=100, 9918=68...(10) HD2 LYS 98 - HZ PHE 104 poor 12 54 60 36 5.3-7.6 10147/10845=22, ~10873=9 QG1 VAL 103 - HZ PHE 104 far 0 62 0 - 6.7-7.2 QG2 VAL 103 - HZ PHE 104 far 0 94 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 10863 from cnoeabs.peaks (0.29, 6.86, 128.16 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 76 + HZ PHE 104 OK 97 97 100 100 3.0-3.4 10504=100, 2.1/9918=93...(12) QG1 VAL 21 - HZ PHE 104 far 0 91 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 10864 from cnoeabs.peaks (-0.04, 6.86, 128.16 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.90: QB ALA 95 + HZ PHE 104 OK 90 91 100 99 2.1-3.2 10131=84, 10856/10845=57...(10) HB VAL 21 - HZ PHE 104 far 0 87 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 10865 from cnoeabs.peaks (0.86, 7.17, 131.19 ppm; 5.40 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 103 + QD PHE 104 OK 95 95 100 100 3.9-5.1 10233/3.7=79...(12) QG2 VAL 102 + QD PHE 104 OK 93 93 100 100 5.4-5.8 2.1/10828=82...(11) QG2 VAL 103 + QD PHE 104 OK 56 58 100 97 4.6-5.3 3.2/10729=76, ~10725=51...(8) QD1 LEU 109 - QD PHE 104 far 5 95 5 - 5.8-12.2 HG LEU 15 - QD PHE 104 far 0 95 0 - 6.3-7.2 QG2 ILE 11 - QD PHE 104 far 0 99 0 - 7.0-7.7 QD1 LEU 12 - QD PHE 104 far 0 98 0 - 7.7-8.2 HD2 LYS 98 - QD PHE 104 far 0 97 0 - 8.0-9.8 QD2 LEU 17 - QD PHE 104 far 0 96 0 - 8.3-9.2 QD1 LEU 17 - QD PHE 104 far 0 90 0 - 8.7-9.6 QG2 VAL 25 - QD PHE 104 far 0 98 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 10866 from cnoeabs.peaks (3.13, 7.17, 131.19 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.98: HB2 TRP 16 + QD PHE 104 OK 98 98 100 100 4.6-5.1 1.8/10867=84, ~8838=81...(10) HB3 PHE 99 - QD PHE 104 poor 20 98 20 - 5.4-7.1 Violated in 0 structures by 0.00 A. Peak 10867 from cnoeabs.peaks (3.75, 7.17, 131.19 ppm; 6.00 A): 1 out of 4 assignments used, quality = 0.85: HB3 TRP 16 + QD PHE 104 OK 85 85 100 100 2.9-3.5 8838/2.2=85...(9) HA3 GLY 97 - QD PHE 104 far 0 96 0 - 7.3-7.8 HA TRP 80 - QD PHE 104 far 0 93 0 - 8.2-9.3 HB2 PHE 79 - QD PHE 104 far 0 66 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10868 from cnoeabs.peaks (3.07, 7.32, 131.48 ppm; 5.73 A): 0 out of 0 assignments used, quality = 0.00: Peak 10869 from cnoeabs.peaks (3.68, 7.32, 131.48 ppm; 6.00 A): 3 out of 7 assignments used, quality = 0.99: HA GLN 96 + QE PHE 104 OK 88 88 100 100 2.0-2.8 10696/2.2=89, 11258=63...(9) HB3 PHE 79 + QE PHE 79 OK 71 71 100 100 4.4-4.4 4.4=100 HA LEU 83 + QE PHE 79 OK 68 70 100 98 5.2-6.0 3.8/10584=93...(5) HB3 PHE 79 - QE PHE 104 poor 19 96 20 - 6.0-7.1 HA2 GLY 97 - QE PHE 104 lone 8 96 100 8 5.7-6.2 10703/5675=6 HA GLN 96 - QE PHE 79 far 0 62 0 - 7.0-8.8 HA2 GLY 97 - QE PHE 79 far 0 70 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 10870 from cnoeabs.peaks (5.40, 7.06, 130.20 ppm; 6.00 A): 0 out of 2 assignments used, quality = 0.00: HA VAL 14 - QE PHE 40 far 0 61 0 - 8.6-9.8 HA VAL 14 - QE PHE 99 far 0 49 0 - 8.9-9.4 Violated in 20 structures by 2.23 A. Peak 10873 from cnoeabs.peaks (1.14, 7.32, 131.48 ppm; 6.00 A): 4 out of 8 assignments used, quality = 1.00: HB VAL 14 + QE PHE 104 OK 95 95 100 100 3.3-4.0 2.1/11228=85, ~11227=78...(11) HB2 LYS 98 + QE PHE 79 OK 63 69 100 91 3.9-5.5 10123/8521=40, ~10700=33...(11) HD3 LYS 98 + QE PHE 79 OK 57 61 100 94 4.1-6.0 10700/2.2=49, ~10701=34...(11) HB2 LYS 98 + QE PHE 104 OK 51 95 100 53 5.3-6.3 4.2/5675=18...(6) HD3 LYS 98 - QE PHE 104 far 13 87 15 - 6.4-8.2 HG2 LYS 13 - QE PHE 104 far 0 94 0 - 7.9-9.1 HG3 LYS 13 - QE PHE 104 far 0 94 0 - 7.9-10.0 HB VAL 14 - QE PHE 79 far 0 69 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 10874 from cnoeabs.peaks (2.20, 7.32, 131.48 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLN 96 + QE PHE 104 OK 98 98 100 100 5.0-5.2 10964/2.2=93, 10965=79...(12) HB VAL 102 + QE PHE 104 OK 97 97 100 100 2.3-3.5 ~11147=83, ~10828=72...(16) HB VAL 102 - QE PHE 79 far 0 72 0 - 8.2-9.1 HG3 GLN 96 - QE PHE 79 far 0 73 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 10876 from cnoeabs.peaks (3.65, 7.04, 131.16 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 9 + QD PHE 10 OK 100 100 100 100 3.9-4.7 3.0/8697=97, 4.3/6075=91...(11) HB3 SER 9 + QD PHE 10 OK 100 100 100 100 3.8-4.1 3.0/8697=97, 4.3/6075=91...(8) HB3 SER 34 - QD PHE 10 far 0 99 0 - 7.2-8.4 HA GLU 63 - QD PHE 10 far 0 82 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 10877 from cnoeabs.peaks (0.85, 7.25, 131.12 ppm; 5.50 A increased from 4.63 A): 2 out of 7 assignments used, quality = 0.74: QG1 VAL 69 + QE PHE 10 OK 62 62 100 99 5.3-5.6 8452/4.4=53, 8453/4.4=52...(11) QG2 VAL 6 + QE PHE 10 OK 33 94 80 44 4.0-6.4 8673/8024=32...(3) QG1 VAL 6 - QE PHE 10 lone 9 97 55 17 4.0-6.7 8688/8021=13, 2.1/10930=3 QD1 LEU 51 - QE PHE 10 far 0 100 0 - 6.3-6.7 QG2 VAL 25 - QE PHE 10 far 0 99 0 - 6.4-6.6 QG2 ILE 11 - QE PHE 10 far 0 100 0 - 8.1-8.2 QD1 LEU 12 - QE PHE 10 far 0 99 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 10878 from cnoeabs.peaks (0.96, 7.25, 131.12 ppm; 5.80 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 25 + QE PHE 10 OK 93 93 100 100 4.4-4.5 8968/2.2=94, 8967=93...(12) HG13 ILE 28 - QE PHE 10 far 0 100 0 - 7.4-7.5 Violated in 0 structures by 0.00 A. Peak 10879 from cnoeabs.peaks (1.15, 7.25, 131.12 ppm; 5.63 A): 1 out of 5 assignments used, quality = 1.00: QD1 LEU 36 + QE PHE 10 OK 100 100 100 100 3.1-3.3 8241/2.2=99, ~8238=86...(19) HG3 ARG 66 - QE PHE 10 far 14 94 15 - 5.6-8.0 QG2 THR 5 - QE PHE 10 far 0 96 0 - 7.2-10.1 HG LEU 51 - QE PHE 10 far 0 60 0 - 8.8-9.4 HB2 LEU 12 - QE PHE 10 far 0 72 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 10880 from cnoeabs.peaks (3.52, 7.45, 121.04 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 76 + HZ3 TRP 16 OK 100 100 100 100 4.6-5.2 3.2/9915=99...(8) Violated in 0 structures by 0.00 A. Peak 10881 from cnoeabs.peaks (4.60, 7.12, 132.45 ppm; 5.79 A): 2 out of 2 assignments used, quality = 1.00: HB THR 37 + QD PHE 40 OK 100 100 100 100 4.3-5.0 10395/2.2=96, ~10400=80...(11) HA PHE 41 + QD PHE 40 OK 91 93 100 98 6.0-6.2 3.0/6497=94, ~6496=65 Violated in 0 structures by 0.00 A. Peak 10882 from cnoeabs.peaks (0.47, 7.06, 130.20 ppm; 5.44 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 51 + QE PHE 40 OK 100 100 100 100 3.4-4.7 2.1/8156=99...(21) HG3 LYS 98 + QE PHE 99 OK 88 88 100 100 2.8-5.5 10915/2.2=64, ~10148=63...(22) QG2 VAL 14 + QE PHE 99 OK 53 59 100 89 5.4-5.9 9950/9922=53...(6) QD1 LEU 55 - QE PHE 40 poor 18 59 45 68 5.5-6.2 8259/10400=35...(7) QG2 VAL 14 - QE PHE 40 far 0 73 0 - 7.7-8.9 HB2 LYS 52 - QE PHE 40 far 0 100 0 - 7.9-8.3 HG12 ILE 77 - QE PHE 99 far 0 62 0 - 8.3-8.7 QD2 LEU 51 - QE PHE 99 far 0 87 0 - 9.6-10.2 HG12 ILE 77 - QE PHE 40 far 0 77 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 10883 from cnoeabs.peaks (1.45, 7.06, 130.20 ppm; 5.54 A): 3 out of 9 assignments used, quality = 0.97: QB ALA 47 + QE PHE 40 OK 82 82 100 100 5.3-5.9 9289/2.2=80, 8307/4.4=65...(13) HB3 LEU 51 + QE PHE 40 OK 77 77 100 100 3.0-4.5 3.1/8156=97, ~9219=78...(21) QB ALA 45 + QE PHE 40 OK 35 97 95 38 5.5-6.4 10753/2.2=25, 8295/10890=16 QB ALA 57 - QE PHE 40 far 0 98 0 - 7.0-7.3 HG LEU 70 - QE PHE 40 far 0 82 0 - 7.1-8.2 HB ILE 77 - QE PHE 99 far 0 87 0 - 7.4-7.9 HB2 LEU 36 - QE PHE 40 far 0 100 0 - 7.9-8.7 HD3 LYS 13 - QE PHE 40 far 0 87 0 - 8.6-11.4 HD2 LYS 13 - QE PHE 40 far 0 87 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 10884 from cnoeabs.peaks (1.71, 7.06, 130.20 ppm; 6.00 A): 3 out of 7 assignments used, quality = 1.00: HG12 ILE 23 + QE PHE 40 OK 99 99 100 100 3.9-5.1 8902/2.2=98, ~8904=83...(13) HB VAL 25 + QE PHE 40 OK 89 100 100 89 3.8-5.0 668/8156=47, 9218/2.2=40...(9) HG LEU 55 + QE PHE 40 OK 57 75 100 76 5.2-5.8 11011/8156=34...(6) HB3 LEU 36 - QE PHE 40 poor 16 69 60 39 6.2-7.0 8263/10400=32...(3) HB3 LYS 88 - QE PHE 99 far 0 73 0 - 8.9-10.4 HB2 GLN 96 - QE PHE 99 far 0 85 0 - 9.3-9.8 HB3 ARG 66 - QE PHE 40 far 0 100 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10885 from cnoeabs.peaks (2.15, 7.06, 130.20 ppm; 5.07 A): 1 out of 6 assignments used, quality = 1.00: HB3 GLU 54 + QE PHE 40 OK 100 100 100 100 3.0-3.8 10683/8156=84...(19) HG12 ILE 90 - QE PHE 99 far 0 83 0 - 6.8-8.7 HG2 GLU 110 - QE PHE 40 far 0 96 0 - 7.2-21.2 HB3 GLU 94 - QE PHE 99 far 0 89 0 - 7.4-8.7 HG2 GLU 94 - QE PHE 99 far 0 89 0 - 9.6-10.9 HB2 PRO 35 - QE PHE 40 far 0 69 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10886 from cnoeabs.peaks (3.79, 7.06, 130.20 ppm; 5.77 A): 3 out of 7 assignments used, quality = 0.99: HB2 PHE 79 + QE PHE 99 OK 88 88 100 100 3.0-3.4 8517/2.2=96, ~9992=82...(17) HA LYS 98 + QE PHE 99 OK 78 79 100 99 5.5-6.2 ~10731=63, ~10145=43...(13) HA TRP 80 + QE PHE 99 OK 52 74 100 70 5.6-6.0 10006/10841=54...(3) HA ALA 73 - QE PHE 99 far 0 79 0 - 6.4-7.3 HB3 TRP 16 - QE PHE 99 far 0 82 0 - 8.6-9.4 HA3 GLY 97 - QE PHE 99 far 0 70 0 - 8.7-9.2 HA ALA 73 - QE PHE 40 far 0 94 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 10887 from cnoeabs.peaks (0.85, 6.83, 129.42 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 17 + HZ PHE 41 OK 97 97 100 100 3.1-4.7 2.1/10938=98...(9) QD1 LEU 17 + HZ PHE 41 OK 93 93 100 100 2.3-3.8 11146/2.2=95, 10938=93...(10) HG LEU 15 - HZ PHE 41 far 14 96 15 - 6.5-7.3 QD1 LEU 109 - HZ PHE 41 lone 1 96 25 2 4.8-18.4 Violated in 0 structures by 0.00 A. Peak 10890 from cnoeabs.peaks (3.56, 7.27, 120.40 ppm; 6.00 A): 2 out of 4 assignments used, quality = 0.94: HA TRP 48 + HE3 TRP 48 OK 90 90 100 100 4.5-4.8 4.7=100 HB3 TRP 60 + HE3 TRP 60 OK 45 45 100 100 2.5-2.6 4.2=100 HA THR 74 - HE3 TRP 48 far 15 97 15 - 6.4-7.1 HA ILE 67 - HE3 TRP 48 far 0 100 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 10891 from cnoeabs.peaks (3.89, 7.30, 120.80 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.97: HA ILE 61 + HE3 TRP 60 OK 97 99 100 98 3.8-4.0 11085/2.5=68...(6) Violated in 0 structures by 0.00 A. Peak 10892 from cnoeabs.peaks (2.78, 7.32, 114.28 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.98: HB2 TRP 48 + HZ2 TRP 48 OK 91 100 100 91 6.1-6.5 6.5=79, ~9342=32...(4) HE3 LYS 52 + HZ2 TRP 48 OK 83 92 90 100 3.1-6.8 ~9439=90, 9334/2.5=79...(16) HD2 ARG 66 - HZ2 TRP 48 far 0 99 0 - 7.6-10.7 Violated in 0 structures by 0.00 A. Peak 10893 from cnoeabs.peaks (6.91, 7.30, 120.80 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.84: H TRP 60 + HE3 TRP 60 OK 75 75 100 100 5.1-5.2 3.0/1874=74, 5.4=70...(8) HZ3 TRP 48 + HE3 TRP 48 OK 35 35 100 100 2.5-2.5 2.5=100 H ASP 65 - HE3 TRP 60 far 0 79 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 10895 from cnoeabs.peaks (1.46, 7.46, 114.23 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: HG3 LYS 58 + HZ2 TRP 60 OK 100 100 100 100 3.9-4.4 1809/9572=85...(18) HB2 LEU 36 + HZ2 TRP 60 OK 100 100 100 100 4.6-4.9 1059/8239=96...(12) QB ALA 57 - HZ2 TRP 60 far 0 91 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 10897 from cnoeabs.peaks (3.87, 7.22, 121.83 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 81 + HZ3 TRP 80 OK 100 100 100 100 3.1-3.6 10661=98, 10659/2.5=74...(11) HD3 PRO 43 + HZ3 TRP 80 OK 100 100 100 100 3.7-5.0 9248=100, 11129/2.4=98...(9) Violated in 0 structures by 0.00 A. Peak 10898 from cnoeabs.peaks (3.50, 7.22, 121.83 ppm; 6.00 A): 3 out of 4 assignments used, quality = 0.98: HD2 PRO 43 + HZ3 TRP 80 OK 85 85 100 100 3.1-5.7 1.8/9248=97, ~11129=82...(8) HB3 TRP 80 + HZ3 TRP 80 OK 69 75 100 92 4.9-5.0 6.4=81, 11273/10783=38 HA PRO 43 + HZ3 TRP 80 OK 59 99 70 86 6.2-6.8 3.6/9248=80, 10713/10712=25 HA VAL 76 - HZ3 TRP 80 far 0 96 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10899 from cnoeabs.peaks (1.36, 7.69, 132.28 ppm; 6.00 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 83 + QD PHE 79 OK 100 100 100 100 3.8-4.6 2.1/10839=94, ~10584=90...(14) HG3 LYS 88 - QD PHE 79 poor 17 65 50 52 5.8-8.0 10075/10839=51 HB2 LYS 88 - QD PHE 79 far 0 69 0 - 6.8-7.5 HG3 LYS 84 - QD PHE 79 far 0 94 0 - 7.7-11.3 HD3 LYS 84 - QD PHE 79 far 0 97 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 10902 from cnoeabs.peaks (2.79, 6.81, 114.23 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.98: HE3 LYS 84 + HZ2 TRP 80 OK 98 98 100 100 3.8-4.1 11007=87, ~10906=62...(10) HG2 GLN 81 - HZ2 TRP 80 poor 20 99 20 - 5.8-8.9 Violated in 0 structures by 0.00 A. Peak 10903 from cnoeabs.peaks (6.79, 7.30, 119.77 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.97: HZ2 TRP 80 + HE3 TRP 80 OK 92 92 100 100 5.0-5.0 5.0=100 HD1 TRP 42 + HE3 TRP 80 OK 60 61 100 99 4.7-5.4 10711=61, ~10777=60...(8) Violated in 0 structures by 0.00 A. Peak 10904 from cnoeabs.peaks (3.47, 7.30, 119.77 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.99: HB3 TRP 80 + HE3 TRP 80 OK 99 99 100 100 2.5-2.6 4.2=100 Violated in 0 structures by 0.00 A. Peak 10906 from cnoeabs.peaks (2.71, 6.87, 124.11 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.98: HE2 LYS 84 + HH2 TRP 80 OK 98 98 100 100 2.5-5.8 ~11007=85, ~10902=62...(10) HB3 ASP 18 - HH2 TRP 80 far 0 65 0 - 7.7-9.0 HB2 ASP 18 - HH2 TRP 80 far 0 59 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 10907 from cnoeabs.peaks (2.79, 6.87, 124.11 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 84 + HH2 TRP 80 OK 100 100 100 100 2.9-5.4 11007/2.5=99...(10) HG2 GLN 81 + HH2 TRP 80 OK 54 98 65 84 4.1-7.5 10650/2.4=60...(4) Violated in 0 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (1.47, 6.87, 124.11 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.99: HG2 PRO 43 + HH2 TRP 80 OK 99 99 100 100 5.5-6.1 2.3/11129=99...(6) HB ILE 77 - HH2 TRP 80 far 0 99 0 - 9.4-10.1 Violated in 14 structures by 0.03 A. Peak 10912 from cnoeabs.peaks (8.86, 7.30, 132.56 ppm; 6.00 A): 2 out of 5 assignments used, quality = 1.00: H GLU 101 + QD PHE 99 OK 98 98 100 100 4.1-4.6 10188/3.0=97...(11) H TRP 80 + QD PHE 99 OK 79 93 85 99 6.3-6.6 4.5/10846=80...(7) H LEU 15 - QD PHE 99 far 0 78 0 - 9.0-9.5 H SER 105 - QD PHE 99 far 0 100 0 - 9.5-10.3 H LYS 13 - QD PHE 99 far 0 98 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 10914 from cnoeabs.peaks (0.66, 7.30, 132.56 ppm; 5.62 A): 2 out of 3 assignments used, quality = 0.84: QD2 LEU 12 + QD PHE 99 OK 70 76 100 92 4.9-5.3 8072/10168=70...(6) QD1 ILE 90 + QD PHE 99 OK 47 100 55 85 5.0-6.6 10124/10856=69...(3) QG2 VAL 21 - QD PHE 99 far 0 59 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 10915 from cnoeabs.peaks (0.45, 7.30, 132.56 ppm; 5.71 A increased from 5.37 A): 1 out of 2 assignments used, quality = 0.89: HG3 LYS 98 + QD PHE 99 OK 89 89 100 100 2.9-5.5 3.0/10148=94...(20) QD2 LEU 51 - QD PHE 99 far 0 86 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 10916 from cnoeabs.peaks (0.23, 7.30, 132.56 ppm; 5.07 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 102 + QD PHE 99 OK 100 100 100 100 3.9-4.5 2.1/8844=99...(21) HG2 LYS 98 + QD PHE 99 OK 86 86 100 100 3.6-5.2 3.0/10148=84...(19) Violated in 0 structures by 0.00 A. Peak 10917 from cnoeabs.peaks (0.94, 7.30, 132.56 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 76 + QD PHE 99 OK 100 100 100 100 3.7-4.2 2.1/10168=92...(24) QG1 VAL 14 + QD PHE 99 OK 77 99 100 77 4.9-5.4 2.1/8817=36...(8) QG2 THR 74 - QD PHE 99 far 0 90 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 10918 from cnoeabs.peaks (2.25, 7.04, 130.40 ppm; 3.95 A): 3 out of 9 assignments used, quality = 1.00: HB2 GLU 75 + QE PHE 99 OK 88 90 100 97 2.0-3.4 3.0/9945=45, 10499=33...(15) HB3 GLU 75 + QE PHE 99 OK 86 89 100 96 2.0-2.7 3.0/9945=45, 10499=32...(15) HG3 GLU 54 + QE PHE 40 OK 79 79 100 100 3.7-4.4 1.8/9946=78, 8337/2.2=52...(18) HG3 GLU 101 - QE PHE 99 far 0 69 0 - 5.7-6.5 HB3 GLN 72 - QE PHE 99 far 0 79 0 - 6.2-7.1 HG2 GLU 101 - QE PHE 99 far 0 71 0 - 7.4-8.1 HG2 GLN 96 - QE PHE 99 far 0 95 0 - 8.3-9.4 HB3 GLN 49 - QE PHE 40 far 0 83 0 - 8.6-8.8 HG3 GLU 94 - QE PHE 99 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10919 from cnoeabs.peaks (1.13, 7.04, 130.40 ppm; 4.83 A): 4 out of 9 assignments used, quality = 1.00: HD3 LYS 98 + QE PHE 99 OK 95 95 100 100 3.0-4.9 10148/2.2=84, ~10731=40...(26) HB2 LYS 98 + QE PHE 99 OK 91 95 95 100 4.5-5.5 ~10731=59, 10162/2.2=47...(25) HG LEU 51 + QE PHE 40 OK 71 71 100 100 4.3-5.2 2.1/8156=99, ~9220=63...(19) HB2 LEU 51 + QE PHE 40 OK 62 62 100 100 2.2-4.4 3.1/8156=90, ~9220=49...(20) HB VAL 14 - QE PHE 99 far 0 99 0 - 6.9-7.3 QD1 LEU 36 - QE PHE 40 far 0 72 0 - 7.3-7.7 HD3 LYS 52 - QE PHE 40 far 0 62 0 - 8.1-9.0 HG3 LYS 13 - QE PHE 40 far 0 73 0 - 8.1-10.8 HG2 LYS 13 - QE PHE 40 far 0 73 0 - 8.6-11.1 Violated in 0 structures by 0.00 A. Peak 10920 from cnoeabs.peaks (0.83, 7.04, 130.40 ppm; 3.90 A): 3 out of 15 assignments used, quality = 1.00: QG2 VAL 102 + QE PHE 99 OK 98 99 100 99 4.0-4.5 8844/2.2=80...(12) QD1 LEU 51 + QE PHE 40 OK 65 65 100 100 2.2-3.2 8156=96, 9220/2.2=50...(28) HD2 LYS 98 + QE PHE 99 OK 59 67 90 97 2.8-4.8 ~10148=44, ~10731=25...(24) QG2 VAL 25 - QE PHE 40 far 11 76 15 - 4.2-5.4 QD1 LEU 12 - QE PHE 40 far 0 77 0 - 5.0-6.7 QG2 ILE 23 - QE PHE 40 far 0 59 0 - 6.2-7.2 HG2 LYS 52 - QE PHE 40 far 0 43 0 - 6.5-7.8 QG2 ILE 23 - QE PHE 99 far 0 79 0 - 7.3-7.7 QD1 LEU 12 - QE PHE 99 far 0 97 0 - 7.5-8.0 QG1 VAL 103 - QE PHE 40 far 0 43 0 - 9.0-11.5 QG1 VAL 103 - QE PHE 99 far 0 59 0 - 9.1-10.2 QG2 ILE 11 - QE PHE 99 far 0 93 0 - 9.8-10.3 QG2 ILE 11 - QE PHE 40 far 0 72 0 - 9.8-11.0 QG2 VAL 102 - QE PHE 40 far 0 82 0 - 9.8-11.3 QD1 ILE 67 - QE PHE 40 far 0 56 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10921 from cnoeabs.peaks (3.49, 7.04, 130.40 ppm; 4.34 A): 4 out of 7 assignments used, quality = 0.99: HA VAL 76 + QE PHE 99 OK 79 79 100 100 2.4-3.1 9922=78, 9923/2.2=64...(22) HB2 SER 38 + QE PHE 40 OK 73 83 100 88 3.9-4.4 8271=41, 8271/2.2=31...(10) HA ALA 95 + QE PHE 99 OK 72 95 90 84 4.2-5.0 ~10856=41...(6) HA LEU 51 + QE PHE 40 OK 68 69 100 100 1.8-2.2 1445/8156=71...(23) HB3 TRP 80 - QE PHE 99 far 0 94 0 - 6.2-6.7 HA GLN 49 - QE PHE 40 far 0 48 0 - 7.4-7.6 HA ARG 66 - QE PHE 40 far 0 51 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 10922 from cnoeabs.peaks (3.65, 7.04, 130.40 ppm; 5.58 A): 2 out of 4 assignments used, quality = 0.99: HB3 PHE 79 + QE PHE 99 OK 98 98 100 100 2.3-2.8 9992/2.2=95...(17) HD3 PRO 100 + QE PHE 99 OK 65 79 85 97 5.6-6.5 2778/4.5=68...(6) HA2 GLY 97 - QE PHE 99 far 0 98 0 - 8.4-9.1 HA LEU 83 - QE PHE 99 far 0 73 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 10923 from cnoeabs.peaks (0.21, 7.17, 131.19 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.94: QG1 VAL 102 + QD PHE 104 OK 94 94 100 100 3.7-4.3 10828=94, 10925/3.8=68...(18) QB ALA 24 - QD PHE 104 far 0 96 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 10924 from cnoeabs.peaks (7.68, 6.86, 128.16 ppm; 6.00 A): 3 out of 4 assignments used, quality = 0.99: QD PHE 79 + HZ PHE 104 OK 94 96 100 98 5.1-5.6 10846/10845=84...(6) HE3 TRP 16 + HZ PHE 104 OK 79 97 100 82 5.2-5.7 8839/9918=40...(5) HE22 GLN 96 + HZ PHE 104 OK 54 54 100 100 5.1-6.4 ~11260=78, 3.5/10860=68...(11) H GLU 94 - HZ PHE 104 far 0 66 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 10925 from cnoeabs.peaks (0.21, 6.86, 128.16 ppm; 5.83 A): 1 out of 2 assignments used, quality = 0.90: QG1 VAL 102 + HZ PHE 104 OK 90 90 100 100 3.2-3.9 2.1/11147=98...(16) QB ALA 24 - HZ PHE 104 far 0 93 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10926 from cnoeabs.peaks (7.48, 7.20, 127.30 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.93: HZ2 TRP 60 + HD1 TRP 60 OK 93 93 100 100 5.0-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 10927 from cnoeabs.peaks (-0.02, 7.15, 127.26 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.79: QB ALA 95 + HD1 TRP 16 OK 79 100 100 79 4.8-6.1 10934/5.0=45, 11231=39...(4) HB VAL 21 - HD1 TRP 16 far 5 100 5 - 6.4-8.9 Violated in 2 structures by 0.01 A. Peak 10928 from cnoeabs.peaks (3.10, 7.30, 131.10 ppm; 5.68 A): 2 out of 4 assignments used, quality = 0.89: HB3 PHE 99 + QE PHE 104 OK 82 82 100 100 3.3-5.2 11116/2.2=87, ~10845=73...(14) HB2 TRP 16 + QE PHE 104 OK 42 56 75 100 5.8-6.3 1.8/8838=95, ~10867=58...(6) HB3 PHE 99 - QE PHE 79 far 0 94 0 - 7.8-8.3 HB2 TRP 16 - QE PHE 79 far 0 67 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 10929 from cnoeabs.peaks (2.06, 7.25, 131.12 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.94: HG2 GLN 27 + QE PHE 10 OK 94 94 100 100 4.7-5.9 11088/2.2=81...(16) Violated in 0 structures by 0.00 A. Peak 10930 from cnoeabs.peaks (1.96, 7.25, 131.12 ppm; 6.00 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLN 27 + QE PHE 10 OK 99 99 100 100 3.0-3.6 ~9015=77, 3.0/10929=73...(21) HB3 GLN 27 + QE PHE 10 OK 97 97 100 100 4.1-5.2 ~9015=77, 3.0/10929=73...(20) HB VAL 6 - QE PHE 10 poor 10 80 35 35 5.4-9.4 2.1/10877=28, 2.1/10877=8 HB2 GLU 54 - QE PHE 10 far 0 99 0 - 6.8-7.7 HB VAL 69 - QE PHE 10 far 0 99 0 - 7.8-8.2 HB3 GLU 63 - QE PHE 10 far 0 87 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 10931 from cnoeabs.peaks (7.67, 7.17, 131.19 ppm; 6.00 A): 2 out of 5 assignments used, quality = 0.99: HE3 TRP 16 + QD PHE 104 OK 96 97 100 99 3.0-4.0 4.2/10866=62...(10) HE22 GLN 96 + QD PHE 104 OK 79 79 100 100 1.9-2.2 3.5/10964=80, 10959=80...(18) H GLU 94 - QD PHE 104 far 0 88 0 - 6.6-7.5 QD PHE 79 - QD PHE 104 far 0 92 0 - 6.7-7.8 HD21 ASN 108 - QD PHE 104 far 0 80 0 - 9.0-15.4 Violated in 0 structures by 0.00 A. Peak 10932 from cnoeabs.peaks (2.18, 7.17, 131.19 ppm; 6.00 A): 2 out of 5 assignments used, quality = 1.00: HB VAL 102 + QD PHE 104 OK 97 98 100 100 4.1-4.8 2.1/10828=92...(8) HG3 GLN 96 + QD PHE 104 OK 89 89 100 100 3.5-4.1 10964=91, 1.8/10963=84...(10) HB3 GLU 94 - QD PHE 104 far 0 77 0 - 7.4-8.0 HG2 GLU 94 - QD PHE 104 far 0 70 0 - 8.7-9.5 HG2 GLU 110 - QD PHE 104 far 0 96 0 - 9.2-18.3 Violated in 0 structures by 0.00 A. Peak 10933 from cnoeabs.peaks (2.62, 7.30, 119.77 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: HB3 GLN 81 + HE3 TRP 80 OK 98 98 100 100 2.3-4.0 4.0/10619=73...(9) Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.958 Average number of used assignments : 1.415 Average rank of reference assignment: 1.075 Peaks with increased upper limit : 1080 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 4.96 A Atom Residue Shift Peaks Used Expect HA3 GLY 106 4.234 14 2 7 Peaks: selected : 7421 in nnoeabs.peaks : 1649 in cnoeabs.peaks : 5772 assigned : 7273 unassigned : 148 without assignment possibility : 45 with violation below 0.5 A : 20 with violation between 0.5 and 3.0 A : 70 with violation above 3.0 A : 13 in nnoeabs.peaks : 31 in cnoeabs.peaks : 117 with diagonal assignment : 783 Cross peaks: with off-diagonal assignment : 6490 with unique assignment : 4298 with short-range assignment |i-j|<=1: 4493 with medium-range assignment 1<|i-j|<5 : 876 with long-range assignment |i-j|>=5: 1121 Comparison with reference assignment: Cross peaks with reference assignment : 4001 with identical reference assignment : 2602 with compatible reference assignment : 3828 with incompatible reference assignment : 59 with additional reference assignment : 17 with additional assignment : 2603