# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 4 2A-H N 8.45 ambi=1 { N:125.1 } atom: 5 2A-HA A 4.39 ambi=1 { CA:52.5 } ::sumAvg: 2.605 atom: 4 2A-H N 8.45 ambi=1 { N:125.1 } atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } ::sumAvg: 2.59 atom: 4 2A-H N 8.45 ambi=1 { N:125.1 } atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } ::sumAvg: 4.82 atom: 11 3G-H N 8.45 ambi=1 { N:108 } atom: 5 2A-HA A 4.39 ambi=1 { CA:52.5 } ::sumAvg: 2.86 atom: 11 3G-H N 8.45 ambi=1 { N:108 } atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } ::sumAvg: 3.02 atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } ::sumAvg: 4.785 atom: 11 3G-H N 8.45 ambi=1 { N:108 } atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } ::sumAvg: 2.355 atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } ::sumAvg: 4.595 atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } atom: 18 4Q-HA A 4.34 ambi=1 { CA:56.6 } ::sumAvg: 2.605 atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } atom: 21 4Q-QG G 2.39 ambi=2 { CG:33.7 } ::sumAvg: 3.33 atom: 23 4Q-HE21 E2 6.89 ambi=2 { NE2:112.3 } atom: 18 4Q-HA A 4.34 ambi=1 { CA:56.6 } :: atom: 24 4Q-HE22 E2 7.6 ambi=2 { NE2:112.3 } atom: 18 4Q-HA A 4.34 ambi=1 { CA:56.6 } ::sumAvg: 4.95 atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 18 4Q-HA A 4.34 ambi=1 { CA:56.6 } ::sumAvg: 2.85 atom: 23 4Q-HE21 E2 6.89 ambi=2 { NE2:112.3 } atom: 19 4Q-HB2 B 2.01 ambi=2 { CB:29.3 } :: atom: 24 4Q-HE22 E2 7.6 ambi=2 { NE2:112.3 } atom: 19 4Q-HB2 B 2.01 ambi=2 { CB:29.3 } :: atom: 23 4Q-HE21 E2 6.89 ambi=2 { NE2:112.3 } atom: 20 4Q-HB3 B 2.11 ambi=2 { CB:29.3 } :: atom: 24 4Q-HE22 E2 7.6 ambi=2 { NE2:112.3 } atom: 20 4Q-HB3 B 2.11 ambi=2 { CB:29.3 } ::sumAvg: 3.185 atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 19 4Q-HB2 B 2.01 ambi=2 { CB:29.3 } :: atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 20 4Q-HB3 B 2.11 ambi=2 { CB:29.3 } ::sumAvg: 3.755 atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 21 4Q-QG G 2.39 ambi=2 { CG:33.7 } ::sumAvg: 3.65 atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 95 11L-HB2 B 1.7 ambi=2 { CB:41.7 } :: atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } ::sumAvg: 4.925 atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 32 5S-HA A 4.39 ambi=1 { CA:59.1 } ::sumAvg: 2.89 atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 33 5S-HB2 B 3.88 ambi=2 { CB:63.5 } :: atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 34 5S-HB3 B 3.94 ambi=2 { CB:63.5 } ::sumAvg: 3.105 atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } atom: 35 5S-HG G 5.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.935 atom: 40 6D-H N 8.3 ambi=1 { N:122.7 } atom: 35 5S-HG G 5.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.72 atom: 62 8K-H N 8.13 ambi=1 { N:120.9 } atom: 41 6D-HA A 4.54 ambi=1 { CA:55.1 } ::sumAvg: 4.025 atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } atom: 41 6D-HA A 4.54 ambi=1 { CA:55.1 } ::sumAvg: 3.975 atom: 62 8K-H N 8.13 ambi=1 { N:120.9 } atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } ::sumAvg: 4.74 atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } ::sumAvg: 4.03 atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } atom: 63 8K-HA A 4.09 ambi=1 { CA:58.4 } ::sumAvg: 4.21 atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } ::sumAvg: 4.98 atom: 93 11L-H N 8.08 ambi=1 { N:120.9 } atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } ::sumAvg: 4.8 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } ::sumAvg: 4.885 atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } atom: 68 8K-QD D 1.7 ambi=2 { CD:28.8 } ::sumAvg: 4.845 atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } ::sumAvg: 4.765 atom: 93 11L-H N 8.08 ambi=1 { N:120.9 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } ::sumAvg: 4.305 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } ::sumAvg: 3.61 atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } ::sumAvg: 4.52 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } ::sumAvg: 4.79 atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } ::sumAvg: 4.96 atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } atom: 95 11L-HB2 B 1.7 ambi=2 { CB:41.7 } :: atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } ::sumAvg: 4.8 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } ::sumAvg: 4.22 atom: 93 11L-H N 8.08 ambi=1 { N:120.9 } atom: 87 10A-HA A 4.2 ambi=1 { CA:54.6 } ::sumAvg: 3.495 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 87 10A-HA A 4.2 ambi=1 { CA:54.6 } ::sumAvg: 4.56 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } ::sumAvg: 4.675 atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } ::sumAvg: 4.57 atom: 93 11L-H N 8.08 ambi=1 { N:120.9 } atom: 97 11L-HG G 1.56 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.4 atom: 128 14Q-H N 7.62 ambi=1 { N:118.9 } atom: 93 11L-H N 8.08 ambi=1 { N:120.9 } ::sumAvg: 4.8 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } ::sumAvg: 4.31 atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } ::sumAvg: 4.385 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } ::sumAvg: 4.255 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } ::sumAvg: 4.8 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 128 14Q-H N 7.62 ambi=1 { N:118.9 } ::sumAvg: 4.25 atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.25 atom: 128 14Q-H N 7.62 ambi=1 { N:118.9 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } ::sumAvg: 4.405 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } ::sumAvg: 3.48 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } ::sumAvg: 4.02 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } :: atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } ::sumAvg: 4.975 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.175 atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.65 atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.635 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } ::sumAvg: 4.595 atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } ::sumAvg: 4.295 atom: 128 14Q-H N 7.62 ambi=1 { N:118.9 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } ::sumAvg: 4.105 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 128 14Q-H N 7.62 ambi=1 { N:118.9 } ::sumAvg: 4.105 atom: 128 14Q-H N 7.62 ambi=1 { N:118.9 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.77 atom: 134 14Q-HE21 E2 7.39 ambi=1 { NE2:111.6 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } :: atom: 135 14Q-HE22 E2 6.79 ambi=1 { NE2:111.6 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 4.21 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 4.445 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 4.465 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } ::sumAvg: 4.825 atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } ::sumAvg: 4.9 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } ::sumAvg: 2.825 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.32 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.23 atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 4.23 atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } atom: 172 18V-H N 7.96 ambi=1 { N:123 } ::sumAvg: 4.915 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 4.915 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.885 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.355 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } ::sumAvg: 4.81 atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } ::sumAvg: 4.955 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 2.235 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 4.77 atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.935 atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 3.535 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 4.505 atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 3.995 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.7 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.685 atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.08 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.165 atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.705 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } ::sumAvg: 4.625 atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } ::sumAvg: 3.7 atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } ::sumAvg: 4.425 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 2.925 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 4.87 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 164 17R-HG2 G 1.63 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.065 atom: 172 18V-H N 7.96 ambi=1 { N:123 } atom: 165 17R-QD D 3.27 ambi=2 { CD:44 } ::sumAvg: 4.785 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } ::sumAvg: 4.525 atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.885 atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.8 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.69 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } ::sumAvg: 4.71 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } ::sumAvg: 4.27 atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } ::sumAvg: 4.8 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } ::sumAvg: 4.8 atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } ::sumAvg: 4.025 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } ::sumAvg: 4.025 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 190 20K-HA A 3.71 ambi=1 { CA:59.3 } ::sumAvg: 4.33 atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 4.065 atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.845 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } ::sumAvg: 3.485 atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } ::sumAvg: 4.075 atom: 629 62L-H N 7.83 ambi=1 { N:119 } atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } ::sumAvg: 4.775 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } ::sumAvg: 4.99 atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.065 atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } ::sumAvg: 4.785 atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.985 atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } :: atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } ::sumAvg: 4.71 atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 238 24N-HD21 D2 7.85 ambi=1 { ND2:113.6 } ::sumAvg: 4.27 atom: 238 24N-HD21 D2 7.85 ambi=1 { ND2:113.6 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 4.27 atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 3.315 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 3.315 atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 4.27 atom: 238 24N-HD21 D2 7.85 ambi=1 { ND2:113.6 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } :: atom: 239 24N-HD22 D2 7.1 ambi=1 { ND2:113.6 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } ::sumAvg: 3.71 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } ::sumAvg: 2.855 atom: 238 24N-HD21 D2 7.85 ambi=1 { ND2:113.6 } atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } :: atom: 239 24N-HD22 D2 7.1 ambi=1 { ND2:113.6 } atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } :: atom: 238 24N-HD21 D2 7.85 ambi=1 { ND2:113.6 } atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } :: atom: 239 24N-HD22 D2 7.1 ambi=1 { ND2:113.6 } atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } ::sumAvg: 2.62 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } :: atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } ::sumAvg: 3.25 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } :: atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } ::sumAvg: 2.515 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 251 26R-H N 8.05 ambi=1 { N:120.5 } ::sumAvg: 3.53 atom: 251 26R-H N 8.05 ambi=1 { N:120.5 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 3.53 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.455 atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 4.455 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } ::sumAvg: 4.43 atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 4.43 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 3.585 atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 3.915 atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } ::sumAvg: 3.245 atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } ::sumAvg: 4.76 atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } ::sumAvg: 3.84 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 3.545 atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.47 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.19 atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } ::sumAvg: 3.79 atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } :: atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } ::sumAvg: 4.585 atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.9 atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } :: atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } ::sumAvg: 4.84 atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.915 atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 3.075 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 4.895 atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 4.7 atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 4.525 atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.655 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.35 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } ::sumAvg: 4.25 atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.96 atom: 294 29Q-HE21 E2 7.68 ambi=1 { NE2:110.7 } atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } ::sumAvg: 4.725 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } ::sumAvg: 4.475 atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } ::sumAvg: 4.295 atom: 294 29Q-HE21 E2 7.68 ambi=1 { NE2:110.7 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } :: atom: 295 29Q-HE22 E2 6.86 ambi=1 { NE2:110.7 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } ::sumAvg: 4.88 atom: 294 29Q-HE21 E2 7.68 ambi=1 { NE2:110.7 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } :: atom: 295 29Q-HE22 E2 6.86 ambi=1 { NE2:110.7 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.355 atom: 302 30I-H N 7.53 ambi=1 { N:118.6 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } ::sumAvg: 4.53 atom: 302 30I-H N 7.53 ambi=1 { N:118.6 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4.105 atom: 302 30I-H N 7.53 ambi=1 { N:118.6 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.075 atom: 302 30I-H N 7.53 ambi=1 { N:118.6 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.99 atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 4.62 atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 4.335 atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 4.21 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 4.585 atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } :: atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 3.97 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 4.125 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.405 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.47 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 4.645 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } ::sumAvg: 4.645 atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.66 atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.545 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.795 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.82 atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 4.925 atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.695 atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 4 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } ::sumAvg: 4.515 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.845 atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } ::sumAvg: 4.505 atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } ::sumAvg: 3.92 atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.665 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } ::sumAvg: 3.535 atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } ::sumAvg: 4.06 atom: 373 36Q-H N 7.6 ambi=1 { N:113.3 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } ::sumAvg: 4.01 atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 4.865 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } ::sumAvg: 4.43 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } ::sumAvg: 4.47 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } :: atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } ::sumAvg: 4.125 atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } :: atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } ::sumAvg: 4.65 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 3.28 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.225 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 373 36Q-H N 7.6 ambi=1 { N:113.3 } ::sumAvg: 4.185 atom: 373 36Q-H N 7.6 ambi=1 { N:113.3 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 4.185 atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.98 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.61 atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } :: atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } ::sumAvg: 3.185 atom: 387 37G-H N 7.55 ambi=1 { N:108.4 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } :: atom: 387 37G-H N 7.55 ambi=1 { N:108.4 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } ::sumAvg: 4.84 atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.605 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.975 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.765 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 3.855 atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 3.67 atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } :: atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } ::sumAvg: 4.91 atom: 379 36Q-HE21 E2 7.52 ambi=1 { NE2:112.8 } atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } :: atom: 380 36Q-HE22 E2 6.88 ambi=1 { NE2:112.8 } atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } :: atom: 379 36Q-HE21 E2 7.52 ambi=1 { NE2:112.8 } atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } :: atom: 380 36Q-HE22 E2 6.88 ambi=1 { NE2:112.8 } atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } ::sumAvg: 3.455 atom: 387 37G-H N 7.55 ambi=1 { N:108.4 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 4.785 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } ::sumAvg: 3.34 atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } ::sumAvg: 4.2 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 4.86 atom: 438 42E-H N 9.64 ambi=1 { N:119 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.54 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.845 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.295 atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.01 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.93 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.81 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } ::sumAvg: 4.82 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 4.915 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 3.575 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 4.725 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.115 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 4.28 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.15 atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.17 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 4.785 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 4.815 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } :: atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 4.39 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } :: atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 4.795 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 408 39R-HG2 G 1.52 ambi=2 { CG:27.2 } :: atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 409 39R-HG3 G 1.88 ambi=2 { CG:27.2 } ::sumAvg: 2.92 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } ::sumAvg: 2.63 atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.255 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } ::sumAvg: 4.61 atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.195 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } ::sumAvg: 4.195 atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.595 atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.73 atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 4.245 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } ::sumAvg: 4.875 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.49 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 4.49 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.85 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 4.85 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 4.765 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.07 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.71 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 3.7 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 3.835 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.72 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 4.72 atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 3.915 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.585 atom: 438 42E-H N 9.64 ambi=1 { N:119 } atom: 429 41V-HB B 2.11 ambi=1 { CB:31.6 } ::sumAvg: 2.635 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 4.835 atom: 803 77Q-HE21 E2 7.21 ambi=1 { NE2:111.2 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 804 77Q-HE22 E2 6.75 ambi=1 { NE2:111.2 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 803 77Q-HE21 E2 7.21 ambi=1 { NE2:111.2 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } :: atom: 804 77Q-HE22 E2 6.75 ambi=1 { NE2:111.2 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 3.72 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 4.82 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 4.56 atom: 438 42E-H N 9.64 ambi=1 { N:119 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.24 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 438 42E-H N 9.64 ambi=1 { N:119 } ::sumAvg: 4.24 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 438 42E-H N 9.64 ambi=1 { N:119 } ::sumAvg: 4.805 atom: 438 42E-H N 9.64 ambi=1 { N:119 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.8 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } ::sumAvg: 4.615 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 442 42E-HG2 G 2.27 ambi=2 { CG:37 } :: atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 443 42E-HG3 G 2.48 ambi=2 { CG:37 } ::sumAvg: 4.595 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } ::sumAvg: 4.21 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.21 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.885 atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } ::sumAvg: 4.83 atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.83 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 3.535 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.58 atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.005 atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.825 atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.545 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 3.765 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.37 atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } ::sumAvg: 4.835 atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.635 atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.285 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 4.845 atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.91 atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.26 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.445 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 3.25 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } ::sumAvg: 4.3 atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } ::sumAvg: 4.3 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } ::sumAvg: 4.905 atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } ::sumAvg: 4.905 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } :: atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } ::sumAvg: 4.395 atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.92 atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 4.66 atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 4.505 atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.59 atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.77 atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 3.89 atom: 521 51N-H N 8.04 ambi=1 { N:118 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.395 atom: 529 52L-H N 8.56 ambi=1 { N:120.6 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 3.42 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 3.89 atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.76 atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } ::sumAvg: 4.435 atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } ::sumAvg: 4.205 atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } ::sumAvg: 4.205 atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } :: atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } ::sumAvg: 4.46 atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } atom: 480 46T-HG2 G2 1.25 ambi=1 { CG2:21.7 } ::sumAvg: 4.54 atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.53 atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } atom: 487 47A-HA A 4.2 ambi=1 { CA:54.8 } ::sumAvg: 4.12 atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.91 atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } ::sumAvg: 4.855 atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } ::sumAvg: 4.04 atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } ::sumAvg: 4.14 atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } :: atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } ::sumAvg: 4.88 atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 3.535 atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.385 atom: 629 62L-H N 7.83 ambi=1 { N:119 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 3.56 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.15 atom: 521 51N-H N 8.04 ambi=1 { N:118 } atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } :: atom: 521 51N-H N 8.04 ambi=1 { N:118 } atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } ::sumAvg: 3.84 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } :: atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } ::sumAvg: 4.88 atom: 521 51N-H N 8.04 ambi=1 { N:118 } atom: 529 52L-H N 8.56 ambi=1 { N:120.6 } ::sumAvg: 4.595 atom: 529 52L-H N 8.56 ambi=1 { N:120.6 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } ::sumAvg: 4.595 atom: 521 51N-H N 8.04 ambi=1 { N:118 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } ::sumAvg: 3.16 atom: 521 51N-H N 8.04 ambi=1 { N:118 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.465 atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } ::sumAvg: 4.92 atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } :: atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } ::sumAvg: 3.505 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } :: atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } ::sumAvg: 4.815 atom: 529 52L-H N 8.56 ambi=1 { N:120.6 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 4.74 atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } atom: 530 52L-HA A 3.76 ambi=1 { CA:59 } ::sumAvg: 4.56 atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 4.805 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 4.97 atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } :: atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } ::sumAvg: 4.295 atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.25 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } ::sumAvg: 4.25 atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 544 53T-HA A 3.88 ambi=1 { CA:66.5 } ::sumAvg: 4.245 atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.935 atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 553 54T-HA A 3.88 ambi=1 { CA:66.6 } ::sumAvg: 3.68 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 553 54T-HA A 3.88 ambi=1 { CA:66.6 } ::sumAvg: 4.38 atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } atom: 553 54T-HA A 3.88 ambi=1 { CA:66.6 } :: atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } atom: 553 54T-HA A 3.88 ambi=1 { CA:66.6 } ::sumAvg: 4.65 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } ::sumAvg: 4.305 atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.26 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.945 atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 4.875 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.875 atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.445 atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } :: atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 3.57 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.11 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 4.71 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 4.52 atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 4.39 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } ::sumAvg: 4.39 atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 3.96 atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 4.905 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } ::sumAvg: 4.62 atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } ::sumAvg: 4.135 atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } ::sumAvg: 3.045 atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } :: atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } ::sumAvg: 4.97 atom: 576 57A-H N 8.09 ambi=1 { N:124 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.065 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 576 57A-H N 8.09 ambi=1 { N:124 } ::sumAvg: 4.065 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } ::sumAvg: 4.485 atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } ::sumAvg: 3.615 atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } ::sumAvg: 4.46 atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } :: atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.08 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.495 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } :: atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } ::sumAvg: 4.7 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 3.11 atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 3.11 atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 4.54 atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } :: atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 4.095 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 3.525 atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 4.43 atom: 629 62L-H N 7.83 ambi=1 { N:119 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 4.25 atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } :: atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.685 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 4.685 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.88 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } ::sumAvg: 4.17 atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.17 atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.945 atom: 629 62L-H N 7.83 ambi=1 { N:119 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.945 atom: 629 62L-H N 7.83 ambi=1 { N:119 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 629 62L-H N 7.83 ambi=1 { N:119 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.995 atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.96 atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 4.49 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } ::sumAvg: 4.345 atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } ::sumAvg: 3.485 atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } ::sumAvg: 4.43 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.46 atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.69 atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.775 atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } ::sumAvg: 2.69 atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 3.98 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } ::sumAvg: 3.98 atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } ::sumAvg: 4.82 atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } ::sumAvg: 4.82 atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.355 atom: 629 62L-H N 7.83 ambi=1 { N:119 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 4.785 atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.785 atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } ::sumAvg: 4.28 atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } :: atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } ::sumAvg: 4.725 atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 4.995 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } ::sumAvg: 4.53 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 3.975 atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 3.975 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.765 atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 4.765 atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.725 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 4.725 atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } ::sumAvg: 4.38 atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } ::sumAvg: 3.435 atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } ::sumAvg: 4.875 atom: 715 70A-H N 8.73 ambi=1 { N:122.8 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } ::sumAvg: 4.355 atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 3.94 atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } ::sumAvg: 3.94 atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } :: atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } ::sumAvg: 3.895 atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 3.98 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 3.98 atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.86 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } :: atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } ::sumAvg: 4.185 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } ::sumAvg: 4.35 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } ::sumAvg: 4.605 atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 3.875 atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } ::sumAvg: 4.65 atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 4.56 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 4.19 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.465 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.465 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.955 atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 4.455 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.455 atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.795 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } ::sumAvg: 4.635 atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.145 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } ::sumAvg: 4.895 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 4.64 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.71 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.2 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.82 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 4.865 atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.865 atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } ::sumAvg: 3.65 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 3.8 atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.95 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } :: atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } ::sumAvg: 4.755 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 708 69E-HG2 G 2.14 ambi=2 { CG:36 } :: atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 709 69E-HG3 G 2.21 ambi=2 { CG:36 } ::sumAvg: 4.98 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } ::sumAvg: 4.98 atom: 743 72R-H N 8.78 ambi=1 { N:123.6 } atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } ::sumAvg: 4.925 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } ::sumAvg: 4.745 atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.88 atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 4.795 atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 3.66 atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.775 atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } ::sumAvg: 4.26 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } ::sumAvg: 4.865 atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } :: atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } ::sumAvg: 3.48 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } :: atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } ::sumAvg: 4.09 atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } :: atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } ::sumAvg: 2.945 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } :: atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } ::sumAvg: 4.93 atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } atom: 728 71R-HD2 D 2.85 ambi=2 { CD:42.9 } :: atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } atom: 729 71R-HD3 D 3.16 ambi=2 { CD:42.9 } ::sumAvg: 2.58 atom: 743 72R-H N 8.78 ambi=1 { N:123.6 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.845 atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } atom: 749 72R-QD D 3.13 ambi=2 { CD:43.2 } ::sumAvg: 4.87 atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } ::sumAvg: 4.14 atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } ::sumAvg: 4.14 atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } :: atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } atom: 786 76R-HB3 B 1.93 ambi=2 { CB:32.7 } ::sumAvg: 4.675 atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } :: atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } ::sumAvg: 4.105 atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } :: atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } ::sumAvg: 4.625 atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } ::sumAvg: 4.03 atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } ::sumAvg: 4.41 atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } ::sumAvg: 4.41 atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 4.715 atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } ::sumAvg: 4.715 atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 776 75T-HB B 4.52 ambi=1 { CB:69 } ::sumAvg: 3.21 atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 2.3 atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } ::sumAvg: 4.765 atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } :: atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 786 76R-HB3 B 1.93 ambi=2 { CB:32.7 } ::sumAvg: 4.315 atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 787 76R-HG2 G 1.51 ambi=2 { CG:27.5 } :: atom: 774 75T-H N 8.78 ambi=1 { N:118 } atom: 788 76R-HG3 G 1.69 ambi=2 { CG:27.5 } ::sumAvg: 4.545 atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } atom: 776 75T-HB B 4.52 ambi=1 { CB:69 } ::sumAvg: 3.9 atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 4.495 atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } ::sumAvg: 4.775 atom: 803 77Q-HE21 E2 7.21 ambi=1 { NE2:111.2 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.655 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 801 77Q-HG2 G 1.93 ambi=2 { CG:34.5 } :: atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 802 77Q-HG3 G 2.11 ambi=2 { CG:34.5 } ::sumAvg: 3.995 atom: 803 77Q-HE21 E2 7.21 ambi=1 { NE2:111.2 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 3.52 atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 2.925 atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } ::sumAvg: 4.705 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } ::sumAvg: 4.945 atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 3.66 atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } ::sumAvg: 4.885 atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 4.37 atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } ::sumAvg: 4.37 atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } :: atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } ::sumAvg: 3.435 atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } :: atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } atom: 848 80R-HG3 G 1.64 ambi=2 { CG:25.9 } ::sumAvg: 2.965 atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } ::sumAvg: 2.39 atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } ::sumAvg: 4.58 atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 4.61 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 4.61 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 2.525 atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 3.86 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.395 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.395 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 2.95 atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 3.865 atom: 886 84E-H N 8.93 ambi=1 { N:120.3 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 4.45 atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 4.045 atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 4.045 atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.32 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 4.32 atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.875 atom: 886 84E-H N 8.93 ambi=1 { N:120.3 } atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } ::sumAvg: 3.065 atom: 886 84E-H N 8.93 ambi=1 { N:120.3 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 4.79 atom: 886 84E-H N 8.93 ambi=1 { N:120.3 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 4.5 atom: 886 84E-H N 8.93 ambi=1 { N:120.3 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.795 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } ::sumAvg: 4.485 atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } ::sumAvg: 4.185 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.63 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } ::sumAvg: 4.88 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } ::sumAvg: 4.635 atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } ::sumAvg: 4.275 atom: 897 85D-H N 8.95 ambi=1 { N:119.4 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.085 atom: 897 85D-H N 8.95 ambi=1 { N:119.4 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.7 atom: 897 85D-H N 8.95 ambi=1 { N:119.4 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.725 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 897 85D-H N 8.95 ambi=1 { N:119.4 } ::sumAvg: 4.725 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } ::sumAvg: 4.505 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } ::sumAvg: 4.305 atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 2.875 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 4.865 atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.255 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 4.255 atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 4.695 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 4.695 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 3.525 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 4.54 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 4.245 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 4.565 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 4 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 925 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } ::sumAvg: 4.88 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 4.035 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.035 atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } ::sumAvg: 4.94 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.94 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } ::sumAvg: 4.29 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } ::sumAvg: 4.235 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.855 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.7 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.365 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } ::sumAvg: 4.05 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } ::sumAvg: 4.48 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.48 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.765 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.765 atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.69 atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } ::sumAvg: 4.735 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } ::sumAvg: 3.525 atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } atom: 925 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } ::sumAvg: 3.33 atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } :: atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } ::sumAvg: 3.035 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } :: atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } ::sumAvg: 4.645 atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } ::sumAvg: 2.39 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.97 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.05 atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.745 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 4.185 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.35 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 4.17 atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } ::sumAvg: 4.275 atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 4.5 atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 3.7 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 4.215 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 3.905 atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } :: atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 4.945 atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } :: atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 4.695 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } :: atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } ::sumAvg: 4.925 atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.35 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } ::sumAvg: 4.61 atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.85 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.85 atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } ::sumAvg: 4.685 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } ::sumAvg: 3.575 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } ::sumAvg: 4.335 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.655 atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } :: atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.815 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.69 atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } ::sumAvg: 4.085 atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.26 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 4.26 atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.745 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 4.745 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } ::sumAvg: 4.41 atom: 1026 96V-H N 8.34 ambi=1 { N:120 } atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } ::sumAvg: 4.265 atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } ::sumAvg: 4.2 atom: 1026 96V-H N 8.34 ambi=1 { N:120 } atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } ::sumAvg: 4.89 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 981 92L-HD1 D1 0.97 ambi=2 { CD1:22.8 } :: atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 982 92L-HD2 D2 0.89 ambi=2 { CD2:25.8 } ::sumAvg: 4.64 atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.245 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } ::sumAvg: 4.245 atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } ::sumAvg: 4.835 atom: 1026 96V-H N 8.34 ambi=1 { N:120 } atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } ::sumAvg: 4.835 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 1017 95V-HB B 2.37 ambi=1 { CB:31.9 } ::sumAvg: 4.805 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } ::sumAvg: 4.25 atom: 1026 96V-H N 8.34 ambi=1 { N:120 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.25 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 4.785 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } ::sumAvg: 4.76 atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.76 atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.95 atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } atom: 1002 94Q-HA A 3.79 ambi=1 { CA:60 } :: atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } atom: 1002 94Q-HA A 3.79 ambi=1 { CA:60 } ::sumAvg: 4.985 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 4.15 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } ::sumAvg: 4.185 atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.185 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.96 atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } atom: 1044 98D-H N 8.17 ambi=1 { N:118.5 } ::sumAvg: 4.76 atom: 1044 98D-H N 8.17 ambi=1 { N:118.5 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.76 atom: 1026 96V-H N 8.34 ambi=1 { N:120 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.455 atom: 1063 100H-H N 7.98 ambi=1 { N:114 } atom: 1027 96V-HA A 3.81 ambi=1 { CA:66.1 } ::sumAvg: 4.495 atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 3.145 atom: 1044 98D-H N 8.17 ambi=1 { N:118.5 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 1044 98D-H N 8.17 ambi=1 { N:118.5 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 4.975 atom: 1063 100H-H N 7.98 ambi=1 { N:114 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 1063 100H-H N 7.98 ambi=1 { N:114 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 4.875 atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } ::sumAvg: 4.81 atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } ::sumAvg: 4.865 atom: 1052 99E-H N 8.22 ambi=1 { N:116.6 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.825 atom: 1063 100H-H N 7.98 ambi=1 { N:114 } atom: 1045 98D-HA A 4.32 ambi=1 { CA:57.1 } ::sumAvg: 4.57 atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.17 atom: 1063 100H-H N 7.98 ambi=1 { N:114 } atom: 1067 100H-HD2 D2 7.16 ambi=1 { CD2:121.1 } ::sumAvg: 3.93 atom: 1063 100H-H N 7.98 ambi=1 { N:114 } atom: 1078 101L-HD1 D1 0.87 ambi=2 { CD1:26.3 } :: atom: 1063 100H-H N 7.98 ambi=1 { N:114 } atom: 1079 101L-HD2 D2 0.8 ambi=2 { CD2:22.8 } ::sumAvg: 4.975 atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } ::sumAvg: 3.415 atom: 1087 102E-H N 8.1 ambi=1 { N:119.1 } atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } ::sumAvg: 4.99 atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } atom: 1077 101L-HG G 1.67 ambi=1 { CG:27.3 } ::sumAvg: 3.5 atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } ::sumAvg: 4.955 atom: 1087 102E-H N 8.1 ambi=1 { N:119.1 } atom: 1077 101L-HG G 1.67 ambi=1 { CG:27.3 } ::sumAvg: 4.705 atom: 1098 103H-H N 8.01 ambi=1 { N:117.3 } atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } ::sumAvg: 2.905 atom: 1098 103H-H N 8.01 ambi=1 { N:117.3 } atom: 1091 102E-QG G 2.14 ambi=2 { CG:35.9 } ::sumAvg: 3.705 # Missing interactons for c_aro.peaks atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } ::sumAvg: 3.96 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } ::sumAvg: 4.7 atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 2.81 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 3.575 atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 4.975 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.485 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } ::sumAvg: 3.79 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.455 atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 3.845 atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } ::sumAvg: 4.56 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } ::sumAvg: 4.115 atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 3.795 atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 3.755 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.285 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 3.44 atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.55 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.36 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.28 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 3.31 atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 4.425 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 3.915 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.04 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 3.23 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.72 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.835 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.735 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } :: atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } ::sumAvg: 3.58 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } ::sumAvg: 4.605 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } ::sumAvg: 4.24 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } :: atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } ::sumAvg: 4.49 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } ::sumAvg: 4.495 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } ::sumAvg: 4.925 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } ::sumAvg: 3.14 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.365 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } ::sumAvg: 2.985 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.2 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.595 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.915 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } ::sumAvg: 3.85 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } ::sumAvg: 4.485 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } ::sumAvg: 3.37 atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } ::sumAvg: 4.095 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 3.125 atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 4.74 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 3.815 atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 4.775 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 789 76R-QD D 3.13 ambi=2 { CD:43.4 } ::sumAvg: 4.935 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 3.835 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 3.935 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 801 77Q-HG2 G 1.93 ambi=2 { CG:34.5 } :: atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 802 77Q-HG3 G 2.11 ambi=2 { CG:34.5 } ::sumAvg: 4.79 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 803 77Q-HE21 E2 7.21 ambi=1 { NE2:111.2 } ::sumAvg: 3.52 atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.19 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 3.235 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 3.045 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 4.59 atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 3.93 atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } ::sumAvg: 3.66 atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.555 atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } ::sumAvg: 4.77 atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 4.62 atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } ::sumAvg: 3.945 atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.17 atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } :: atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } ::sumAvg: 4.86 atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } :: atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } ::sumAvg: 4.945 atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } :: atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } ::sumAvg: 4.695 atom: 1067 100H-HD2 D2 7.16 ambi=1 { CD2:121.1 } atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } ::sumAvg: 3.84 atom: 1067 100H-HD2 D2 7.16 ambi=1 { CD2:121.1 } atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } :: atom: 1067 100H-HD2 D2 7.16 ambi=1 { CD2:121.1 } atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } ::sumAvg: 3.2 # Missing interactons for c_ali.peaks atom: 5 2A-HA A 4.39 ambi=1 { CA:52.5 } atom: 4 2A-H N 8.45 ambi=1 { N:125.1 } ::sumAvg: 2.605 atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } atom: 4 2A-H N 8.45 ambi=1 { N:125.1 } ::sumAvg: 2.59 atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 4 2A-H N 8.45 ambi=1 { N:125.1 } ::sumAvg: 4.82 atom: 5 2A-HA A 4.39 ambi=1 { CA:52.5 } atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } ::sumAvg: 2.12 atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } atom: 5 2A-HA A 4.39 ambi=1 { CA:52.5 } ::sumAvg: 2.12 atom: 5 2A-HA A 4.39 ambi=1 { CA:52.5 } atom: 11 3G-H N 8.45 ambi=1 { N:108 } ::sumAvg: 2.86 atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } atom: 11 3G-H N 8.45 ambi=1 { N:108 } ::sumAvg: 3.02 atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } ::sumAvg: 3.91 atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } ::sumAvg: 3.91 atom: 6 2A-HB B 1.41 ambi=1 { CB:19.2 } atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } ::sumAvg: 4.785 atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 11 3G-H N 8.45 ambi=1 { N:108 } ::sumAvg: 2.355 atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } ::sumAvg: 2.515 atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 19 4Q-HB2 B 2.01 ambi=2 { CB:29.3 } :: atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 20 4Q-HB3 B 2.11 ambi=2 { CB:29.3 } ::sumAvg: 4.525 atom: 19 4Q-HB2 B 2.01 ambi=2 { CB:29.3 } atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } :: atom: 20 4Q-HB3 B 2.11 ambi=2 { CB:29.3 } atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } ::sumAvg: 4.525 atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 21 4Q-QG G 2.39 ambi=2 { CG:33.7 } ::sumAvg: 4.525 atom: 12 3G-QA A 4.03 ambi=2 { CA:45.2 } atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } ::sumAvg: 4.595 atom: 19 4Q-HB2 B 2.01 ambi=2 { CB:29.3 } atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } :: atom: 20 4Q-HB3 B 2.11 ambi=2 { CB:29.3 } atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } ::sumAvg: 3.06 atom: 21 4Q-QG G 2.39 ambi=2 { CG:33.7 } atom: 17 4Q-H N 8.55 ambi=1 { N:120.5 } ::sumAvg: 3.33 atom: 18 4Q-HA A 4.34 ambi=1 { CA:56.6 } atom: 23 4Q-HE21 E2 6.89 ambi=2 { NE2:112.3 } :: atom: 18 4Q-HA A 4.34 ambi=1 { CA:56.6 } atom: 24 4Q-HE22 E2 7.6 ambi=2 { NE2:112.3 } ::sumAvg: 4.95 atom: 19 4Q-HB2 B 2.01 ambi=2 { CB:29.3 } atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } :: atom: 20 4Q-HB3 B 2.11 ambi=2 { CB:29.3 } atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } ::sumAvg: 3.755 atom: 21 4Q-QG G 2.39 ambi=2 { CG:33.7 } atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } ::sumAvg: 3.65 atom: 95 11L-HB2 B 1.7 ambi=2 { CB:41.7 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } :: atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } ::sumAvg: 4.27 atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 95 11L-HB2 B 1.7 ambi=2 { CB:41.7 } :: atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 95 11L-HB2 B 1.7 ambi=2 { CB:41.7 } :: atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } :: atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } ::sumAvg: 3.855 atom: 95 11L-HB2 B 1.7 ambi=2 { CB:41.7 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } :: atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.925 atom: 32 5S-HA A 4.39 ambi=1 { CA:59.1 } atom: 31 5S-H N 8.54 ambi=1 { N:117.1 } ::sumAvg: 2.89 atom: 32 5S-HA A 4.39 ambi=1 { CA:59.1 } atom: 35 5S-HG G 5.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.255 atom: 32 5S-HA A 4.39 ambi=1 { CA:59.1 } atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } ::sumAvg: 4.895 atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } atom: 32 5S-HA A 4.39 ambi=1 { CA:59.1 } ::sumAvg: 4.895 atom: 41 6D-HA A 4.54 ambi=1 { CA:55.1 } atom: 62 8K-H N 8.13 ambi=1 { N:120.9 } ::sumAvg: 4.025 atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } atom: 49 7R-HA A 4.15 ambi=1 { CA:58 } ::sumAvg: 4.4 atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } atom: 62 8K-H N 8.13 ambi=1 { N:120.9 } ::sumAvg: 4.74 atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } ::sumAvg: 4.03 atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } atom: 42 6D-QB B 2.71 ambi=2 { CB:40.8 } ::sumAvg: 3.405 atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } atom: 48 7R-H N 8.27 ambi=1 { N:122.1 } ::sumAvg: 4.825 atom: 49 7R-HA A 4.15 ambi=1 { CA:58 } atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } ::sumAvg: 4.225 atom: 50 7R-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 63 8K-HA A 4.09 ambi=1 { CA:58.4 } :: atom: 51 7R-HB3 B 1.97 ambi=2 { CB:30.1 } atom: 63 8K-HA A 4.09 ambi=1 { CA:58.4 } ::sumAvg: 4.685 atom: 51 7R-HB3 B 1.97 ambi=2 { CB:30.1 } atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } ::sumAvg: 4.81 atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 51 7R-HB3 B 1.97 ambi=2 { CB:30.1 } ::sumAvg: 4.81 atom: 52 7R-HG2 G 1.66 ambi=2 { CG:27.2 } atom: 62 8K-H N 8.13 ambi=1 { N:120.9 } :: atom: 53 7R-HG3 G 1.75 ambi=2 { CG:27.2 } atom: 62 8K-H N 8.13 ambi=1 { N:120.9 } ::sumAvg: 4.405 atom: 63 8K-HA A 4.09 ambi=1 { CA:58.4 } atom: 70 8K-QE E 2.92 ambi=2 { CE:41.8 } ::sumAvg: 4.925 atom: 63 8K-HA A 4.09 ambi=1 { CA:58.4 } atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } ::sumAvg: 3.5 atom: 63 8K-HA A 4.09 ambi=1 { CA:58.4 } atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } ::sumAvg: 4.21 atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 63 8K-HA A 4.09 ambi=1 { CA:58.4 } ::sumAvg: 4.775 atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } ::sumAvg: 3.17 atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } ::sumAvg: 4.355 atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } ::sumAvg: 4.355 atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } ::sumAvg: 4.385 atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } ::sumAvg: 4.98 atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } :: atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 64 8K-QB B 1.87 ambi=2 { CB:31.7 } ::sumAvg: 4.175 atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } ::sumAvg: 4.36 atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } ::sumAvg: 3.275 atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } ::sumAvg: 4.55 atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } atom: 98 11L-HD1 D1 0.89 ambi=2 { CD1:25.1 } :: atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } atom: 99 11L-HD2 D2 0.93 ambi=2 { CD2:24.1 } ::sumAvg: 4.225 atom: 98 11L-HD1 D1 0.89 ambi=2 { CD1:25.1 } atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } :: atom: 99 11L-HD2 D2 0.93 ambi=2 { CD2:24.1 } atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } ::sumAvg: 4.225 atom: 110 12L-HG G 1.92 ambi=1 { CG:26.9 } atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } ::sumAvg: 3.98 atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } ::sumAvg: 3.81 atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } :: atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 66 8K-QG G 1.45 ambi=2 { CG:24.7 } ::sumAvg: 3.81 atom: 68 8K-QD D 1.7 ambi=2 { CD:28.8 } atom: 79 9A-H N 8.05 ambi=1 { N:121.6 } ::sumAvg: 4.845 atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 68 8K-QD D 1.7 ambi=2 { CD:28.8 } :: atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 68 8K-QD D 1.7 ambi=2 { CD:28.8 } ::sumAvg: 4.21 atom: 110 12L-HG G 1.92 ambi=1 { CG:26.9 } atom: 70 8K-QE E 2.92 ambi=2 { CE:41.8 } ::sumAvg: 4.86 atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } ::sumAvg: 3.06 atom: 110 12L-HG G 1.92 ambi=1 { CG:26.9 } atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } ::sumAvg: 3.775 atom: 80 9A-HA A 3.95 ambi=1 { CA:55.1 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.52 atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } atom: 87 10A-HA A 4.2 ambi=1 { CA:54.6 } ::sumAvg: 3.92 atom: 87 10A-HA A 4.2 ambi=1 { CA:54.6 } atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } ::sumAvg: 3.92 atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } ::sumAvg: 4.435 atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } ::sumAvg: 4.435 atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } :: atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } ::sumAvg: 4.125 atom: 81 9A-HB B 1.45 ambi=1 { CB:18.1 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.96 atom: 95 11L-HB2 B 1.7 ambi=2 { CB:41.7 } atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } :: atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } atom: 86 10A-H N 7.91 ambi=1 { N:120.2 } ::sumAvg: 4.8 atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 87 10A-HA A 4.2 ambi=1 { CA:54.6 } ::sumAvg: 2.125 atom: 87 10A-HA A 4.2 ambi=1 { CA:54.6 } atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } ::sumAvg: 4.56 atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } ::sumAvg: 4.5 atom: 96 11L-HB3 B 1.88 ambi=2 { CB:41.7 } atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } ::sumAvg: 4.5 atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.57 atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } ::sumAvg: 4.06 atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } ::sumAvg: 4.965 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 88 10A-HB B 1.46 ambi=1 { CB:18.1 } ::sumAvg: 4.965 atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 93 11L-H N 8.08 ambi=1 { N:120.9 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 93 11L-H N 8.08 ambi=1 { N:120.9 } ::sumAvg: 4.725 atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } atom: 97 11L-HG G 1.56 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.1 atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } ::sumAvg: 3.53 atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.19 atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } ::sumAvg: 3.495 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } ::sumAvg: 3.495 atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 4.31 atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 94 11L-HA A 4.12 ambi=1 { CA:57.8 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.18 atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } atom: 97 11L-HG G 1.56 ambi=1 {attached_atom is not_assigned} :: atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } atom: 97 11L-HG G 1.56 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.745 atom: 144 15V-HB B 2.32 ambi=1 { CB:30.5 } atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } ::sumAvg: 2.73 atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } ::sumAvg: 3.52 atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 4.8 atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } ::sumAvg: 4.8 atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.385 atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 2.815 atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } ::sumAvg: 4.255 atom: 144 15V-HB B 2.32 ambi=1 { CB:30.5 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 4.495 atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 144 15V-HB B 2.32 ambi=1 { CB:30.5 } ::sumAvg: 4.495 atom: 144 15V-HB B 2.32 ambi=1 { CB:30.5 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.595 atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } :: atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } atom: 106 12L-H N 8.48 ambi=1 { N:118.7 } ::sumAvg: 4.8 atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 3.495 atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 2.515 atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } :: atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } ::sumAvg: 2.515 atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.72 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 107 12L-HA A 4.04 ambi=1 { CA:58.1 } ::sumAvg: 4.72 atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } ::sumAvg: 4.385 atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } :: atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } ::sumAvg: 4.385 atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } ::sumAvg: 4.725 atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } :: atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } :: atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } :: atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } ::sumAvg: 4.725 atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.405 atom: 108 12L-HB2 B 1.53 ambi=2 { CB:40.1 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } :: atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } ::sumAvg: 4.975 atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.365 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 109 12L-HB3 B 1.97 ambi=2 { CB:40.1 } ::sumAvg: 4.365 atom: 110 12L-HG G 1.92 ambi=1 { CG:26.9 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.44 atom: 110 12L-HG G 1.92 ambi=1 { CG:26.9 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 110 12L-HG G 1.92 ambi=1 { CG:26.9 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.885 atom: 144 15V-HB B 2.32 ambi=1 { CB:30.5 } atom: 111 12L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 144 15V-HB B 2.32 ambi=1 { CB:30.5 } atom: 112 12L-HD2 D2 0.82 ambi=2 { CD2:21.6 } ::sumAvg: 4.42 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.745 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 120 13D-H N 7.99 ambi=1 { N:119.5 } ::sumAvg: 4.635 atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 4.595 atom: 121 13D-HA A 4.42 ambi=1 { CA:57.5 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.295 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } :: atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } ::sumAvg: 4.295 atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } ::sumAvg: 4.405 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } ::sumAvg: 4.405 atom: 122 13D-HB2 B 2.64 ambi=2 { CB:40.5 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } :: atom: 123 13D-HB3 B 2.84 ambi=2 { CB:40.5 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.655 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 128 14Q-H N 7.62 ambi=1 { N:118.9 } ::sumAvg: 4.77 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } ::sumAvg: 4.78 atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 4.78 atom: 132 14Q-HG2 G 2.34 ambi=2 { CG:33 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } :: atom: 133 14Q-HG3 G 2.56 ambi=2 { CG:33 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 3.36 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 134 14Q-HE21 E2 7.39 ambi=1 { NE2:111.6 } :: atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 135 14Q-HE22 E2 6.79 ambi=1 { NE2:111.6 } ::sumAvg: 4.21 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 3.56 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } ::sumAvg: 4.445 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.87 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 4.87 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 3.42 atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 3.42 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 164 17R-HG2 G 1.63 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.97 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 172 18V-H N 7.96 ambi=1 { N:123 } ::sumAvg: 4.465 atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.53 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 129 14Q-HA A 4.23 ambi=1 { CA:58.1 } ::sumAvg: 4.53 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 143 15V-HA A 3.38 ambi=1 { CA:66.6 } ::sumAvg: 4.125 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 134 14Q-HE21 E2 7.39 ambi=1 { NE2:111.6 } :: atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 135 14Q-HE22 E2 6.79 ambi=1 { NE2:111.6 } ::sumAvg: 2.915 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 3.01 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } ::sumAvg: 4.825 atom: 130 14Q-QB B 2.37 ambi=2 { CB:27.8 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.9 atom: 132 14Q-HG2 G 2.34 ambi=2 { CG:33 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } :: atom: 133 14Q-HG3 G 2.56 ambi=2 { CG:33 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 4.12 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 132 14Q-HG2 G 2.34 ambi=2 { CG:33 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 132 14Q-HG2 G 2.34 ambi=2 { CG:33 } :: atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 133 14Q-HG3 G 2.56 ambi=2 { CG:33 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 133 14Q-HG3 G 2.56 ambi=2 { CG:33 } ::sumAvg: 4.89 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 142 15V-H N 8.48 ambi=1 { N:121.3 } ::sumAvg: 4.32 atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } :: atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 3.56 atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 3.56 atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 3.785 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 3.785 atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } :: atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } ::sumAvg: 4.74 atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } :: atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } ::sumAvg: 4.355 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 146 15V-HG2 G2 1.01 ambi=2 { CG2:23.9 } :: atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 145 15V-HG1 G1 0.93 ambi=2 { CG1:24 } ::sumAvg: 4.7 atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } ::sumAvg: 4.225 atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } ::sumAvg: 4.81 atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 4.955 atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } ::sumAvg: 4.77 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 153 16A-H N 8.08 ambi=1 { N:121.4 } ::sumAvg: 4.935 atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } ::sumAvg: 4.97 atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 4.97 atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } ::sumAvg: 4.805 atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 4.805 atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 172 18V-H N 7.96 ambi=1 { N:123 } ::sumAvg: 4.505 atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } ::sumAvg: 3.8 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 154 16A-HA A 4.45 ambi=1 { CA:54.6 } ::sumAvg: 3.8 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } ::sumAvg: 4.485 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } ::sumAvg: 3.915 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 4.17 atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } ::sumAvg: 4.17 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 172 18V-H N 7.96 ambi=1 { N:123 } ::sumAvg: 4.7 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } ::sumAvg: 4.685 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } ::sumAvg: 4.955 atom: 155 16A-HB B 1.33 ambi=1 { CB:17.7 } atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } ::sumAvg: 4.48 atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.965 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 160 17R-H N 7.48 ambi=1 { N:116.9 } ::sumAvg: 4.08 atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.975 atom: 161 17R-HA A 3.91 ambi=1 { CA:59.7 } atom: 197 20K-QE E 2.97 ambi=2 { CE:42.4 } ::sumAvg: 4.305 atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } ::sumAvg: 4.215 atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 4.215 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 3.57 atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } ::sumAvg: 4.87 atom: 195 20K-QD D 1.68 ambi=2 { CD:29.4 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 4.96 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } :: atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } atom: 162 17R-QB B 2.12 ambi=2 { CB:30.4 } ::sumAvg: 4.27 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 164 17R-HG2 G 1.63 ambi=2 {attached_atom is not_assigned} :: atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } atom: 164 17R-HG2 G 1.63 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.87 atom: 165 17R-QD D 3.27 ambi=2 { CD:44 } atom: 172 18V-H N 7.96 ambi=1 { N:123 } ::sumAvg: 4.785 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 165 17R-QD D 3.27 ambi=2 { CD:44 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 165 17R-QD D 3.27 ambi=2 { CD:44 } ::sumAvg: 4.665 atom: 165 17R-QD D 3.27 ambi=2 { CD:44 } atom: 661 64S-QB B 4.01 ambi=2 { CB:63 } ::sumAvg: 4.555 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 172 18V-H N 7.96 ambi=1 { N:123 } ::sumAvg: 4.55 atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } atom: 183 19G-H N 8.27 ambi=1 { N:105.4 } ::sumAvg: 3.53 atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } atom: 189 20K-H N 8.25 ambi=1 { N:118.7 } ::sumAvg: 4.575 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } ::sumAvg: 3 atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } ::sumAvg: 4.525 atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } ::sumAvg: 3.67 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } ::sumAvg: 3.67 atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 173 18V-HA A 3.69 ambi=1 { CA:66.6 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 3.33 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } ::sumAvg: 4.535 atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } ::sumAvg: 4.87 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } ::sumAvg: 4.87 atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 4.225 atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } :: atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } ::sumAvg: 4.225 atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } :: atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } atom: 174 18V-HB B 2.39 ambi=1 { CB:31.3 } ::sumAvg: 4.99 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 3.28 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } ::sumAvg: 4.8 atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.215 atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.95 atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } :: atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } :: atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } ::sumAvg: 4.35 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 175 18V-HG1 G1 0.87 ambi=2 { CG1:22.1 } :: atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 176 18V-HG2 G2 1.17 ambi=2 { CG2:21.6 } ::sumAvg: 4.915 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } ::sumAvg: 4.46 atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } ::sumAvg: 4.46 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } ::sumAvg: 4.035 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } ::sumAvg: 4.72 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } ::sumAvg: 4.72 atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } ::sumAvg: 4.5 atom: 184 19G-QA A 3.43 ambi=2 { CA:48.5 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 4.385 atom: 190 20K-HA A 3.71 ambi=1 { CA:59.3 } atom: 191 20K-QB B 1.85 ambi=2 { CB:32.6 } ::sumAvg: 2.375 atom: 190 20K-HA A 3.71 ambi=1 { CA:59.3 } atom: 195 20K-QD D 1.68 ambi=2 { CD:29.4 } ::sumAvg: 4.255 atom: 190 20K-HA A 3.71 ambi=1 { CA:59.3 } atom: 197 20K-QE E 2.97 ambi=2 { CE:42.4 } ::sumAvg: 4.53 atom: 190 20K-HA A 3.71 ambi=1 { CA:59.3 } atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } ::sumAvg: 4.33 atom: 190 20K-HA A 3.71 ambi=1 { CA:59.3 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 3.6 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } ::sumAvg: 4.8 atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } ::sumAvg: 4.31 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } ::sumAvg: 4.73 atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } :: atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } ::sumAvg: 4.73 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 3.89 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } :: atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } ::sumAvg: 4.15 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 3.565 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } :: atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } ::sumAvg: 3.565 atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } ::sumAvg: 4.71 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } :: atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } atom: 206 21A-H N 7.64 ambi=1 { N:121.7 } ::sumAvg: 4.8 atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 4.075 atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.8 atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } ::sumAvg: 4.8 atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.52 atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 4.76 atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } :: atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } atom: 207 21A-HA A 3.79 ambi=1 { CA:55.2 } ::sumAvg: 4.76 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } ::sumAvg: 3.965 atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } ::sumAvg: 3.965 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.31 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 4.425 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.925 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.775 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } ::sumAvg: 4.83 atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } ::sumAvg: 4.83 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 3.145 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.775 atom: 208 21A-HB B 1.57 ambi=1 { CB:19.2 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } ::sumAvg: 4.825 atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } ::sumAvg: 3.485 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 213 22L-H N 7.33 ambi=1 { N:114.2 } ::sumAvg: 4.99 atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } ::sumAvg: 2.605 atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } ::sumAvg: 3.11 atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } ::sumAvg: 4.785 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } ::sumAvg: 4.785 atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.9 atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } ::sumAvg: 4.9 atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 4.785 atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 4.92 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } ::sumAvg: 4.92 atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 214 22L-HA A 4.14 ambi=1 { CA:54.6 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.015 atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 3.41 atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } ::sumAvg: 4.435 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } :: atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } ::sumAvg: 4.435 atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.515 atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } ::sumAvg: 4.515 atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 3.935 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } :: atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } :: atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } :: atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } ::sumAvg: 3.935 atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 215 22L-HB2 B 1.61 ambi=2 { CB:42.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 216 22L-HB3 B 1.93 ambi=2 { CB:42.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.905 atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 4.985 atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.055 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } :: atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } ::sumAvg: 4.055 atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 217 22L-HG G 1.94 ambi=1 { CG:26 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.705 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } ::sumAvg: 4.48 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.48 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.835 atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.835 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 4.985 atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } ::sumAvg: 2.825 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 2.825 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } ::sumAvg: 4.4 atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.4 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.865 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.865 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 4.04 atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.04 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } :: atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } ::sumAvg: 4.475 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 4.185 atom: 218 22L-HD1 D1 0.69 ambi=2 { CD1:25.7 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 219 22L-HD2 D2 0.63 ambi=2 { CD2:22.7 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } ::sumAvg: 2.965 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 227 23A-H N 7.16 ambi=1 { N:118.2 } ::sumAvg: 2.87 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 2.12 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 2.87 atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.87 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } :: atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } atom: 228 23A-HA A 4.72 ambi=1 { CA:53 } ::sumAvg: 4.87 atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 3.49 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.535 atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } :: atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } atom: 229 23A-HB B 1.34 ambi=1 { CB:18.2 } ::sumAvg: 4.65 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 4.71 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 2.87 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 234 24N-H N 7.44 ambi=1 { N:116.8 } ::sumAvg: 4.27 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } :: atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } ::sumAvg: 4.455 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } ::sumAvg: 4.455 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } :: atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } ::sumAvg: 2.53 atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } :: atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } ::sumAvg: 2.53 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 238 24N-HD21 D2 7.85 ambi=1 { ND2:113.6 } :: atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 239 24N-HD22 D2 7.1 ambi=1 { ND2:113.6 } ::sumAvg: 3.71 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 2.855 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 4.995 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } ::sumAvg: 4.995 atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.165 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } :: atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } atom: 235 24N-HA A 4.73 ambi=1 { CA:53.5 } ::sumAvg: 4.165 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } :: atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } ::sumAvg: 4.775 atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } :: atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 3.25 atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 236 24N-HB2 B 2.32 ambi=2 { CB:41.7 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } :: atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 237 24N-HB3 B 2.94 ambi=2 { CB:41.7 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 4.595 atom: 246 25G-HA2 A 3.65 ambi=2 { CA:47.6 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } :: atom: 247 25G-HA3 A 4.11 ambi=2 { CA:47.6 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 2.515 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 3.585 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } :: atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } atom: 245 25G-H N 9.37 ambi=1 { N:114.8 } ::sumAvg: 3.915 atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 3.245 atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 4.225 atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } ::sumAvg: 4.76 atom: 253 26R-QB B 1.93 ambi=2 { CB:29.9 } atom: 251 26R-H N 8.05 ambi=1 { N:120.5 } ::sumAvg: 2.475 atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } ::sumAvg: 2.85 atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 3.465 atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 4.76 atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } ::sumAvg: 4.76 atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } ::sumAvg: 3.84 atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 4.805 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } ::sumAvg: 4.805 atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 292 29Q-HG2 G 2.58 ambi=2 { CG:34.4 } :: atom: 252 26R-HA A 4.15 ambi=1 { CA:57 } atom: 293 29Q-HG3 G 2.25 ambi=2 { CG:34.4 } ::sumAvg: 4.61 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } :: atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 2.84 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 3.84 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4.47 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 3.77 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 4.19 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 4.915 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.915 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.635 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 3.315 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 3.315 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.96 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.915 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.915 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 4.275 atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } ::sumAvg: 4.275 atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } ::sumAvg: 4.89 atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } ::sumAvg: 2.825 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } ::sumAvg: 3.48 atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } ::sumAvg: 3.48 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.1 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.235 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.585 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } ::sumAvg: 4.585 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 3.94 atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 3.79 atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 4.7 atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 255 26R-QG G 1.74 ambi=2 { CG:26.8 } ::sumAvg: 4.7 atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } :: atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.585 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.86 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 263 27R-H N 7.93 ambi=1 { N:117.9 } ::sumAvg: 4.105 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 3.985 atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 2.52 atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } ::sumAvg: 4.39 atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 4.39 atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } ::sumAvg: 3.45 atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } ::sumAvg: 4 atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } :: atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } ::sumAvg: 4.745 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 4.745 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } :: atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 3.055 atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.08 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 264 27R-HA A 3.71 ambi=1 { CA:61 } ::sumAvg: 4.41 atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } :: atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } ::sumAvg: 2.475 atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } :: atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } :: atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } :: atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } ::sumAvg: 2.475 atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } ::sumAvg: 3.61 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } :: atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } ::sumAvg: 4.685 atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } ::sumAvg: 4.865 atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } :: atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } ::sumAvg: 4.865 atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 4.4 atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } ::sumAvg: 3.875 atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 265 27R-HB2 B 1.84 ambi=2 { CB:30.4 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 266 27R-HB3 B 2.08 ambi=2 { CB:30.4 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 3.16 atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } :: atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 3.8 atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } :: atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } :: atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } ::sumAvg: 3.78 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } :: atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } ::sumAvg: 3.78 atom: 267 27R-HD2 D 3.02 ambi=2 { CD:45.2 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} :: atom: 268 27R-HD3 D 3.53 ambi=2 { CD:45.2 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.4 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } ::sumAvg: 4.84 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 274 28L-H N 7.64 ambi=1 { N:117.6 } ::sumAvg: 4.915 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } ::sumAvg: 4.58 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } ::sumAvg: 4.58 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 3.22 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } ::sumAvg: 3.22 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } ::sumAvg: 3.455 atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } ::sumAvg: 3.08 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 2.65 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4.3 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 3.96 atom: 275 28L-HA A 3.95 ambi=1 { CA:57.6 } atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } ::sumAvg: 4.7 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } ::sumAvg: 2.45 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } ::sumAvg: 3.855 atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 3.855 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } ::sumAvg: 4.895 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.785 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 3.785 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4.7 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.89 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } :: atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } ::sumAvg: 4.89 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 4.905 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 2.81 atom: 276 28L-HB2 B 1.51 ambi=2 { CB:41.9 } atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } :: atom: 277 28L-HB3 B 2.24 ambi=2 { CB:41.9 } atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } ::sumAvg: 3.575 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } ::sumAvg: 4.525 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.315 atom: 278 28L-HG G 2.07 ambi=1 { CG:26.5 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 4.975 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } ::sumAvg: 3.46 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } :: atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 280 28L-HD2 D2 0.99 ambi=2 { CD2:23.6 } ::sumAvg: 2.07 atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 3.76 atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } atom: 279 28L-HD1 D1 1.07 ambi=2 { CD1:27.6 } ::sumAvg: 3.76 atom: 304 30I-HB B 1.89 ambi=1 { CB:37.4 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } ::sumAvg: 4.86 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } :: atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } ::sumAvg: 4.12 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 288 29Q-H N 8.11 ambi=1 { N:119.3 } ::sumAvg: 4.96 atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.775 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } ::sumAvg: 4.775 atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } atom: 302 30I-H N 7.53 ambi=1 { N:118.6 } ::sumAvg: 3.485 atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } ::sumAvg: 4.475 atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.96 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 289 29Q-HA A 3.88 ambi=1 { CA:59.1 } ::sumAvg: 4.96 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } ::sumAvg: 4.33 atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } :: atom: 303 30I-HA A 3.34 ambi=1 { CA:65.9 } atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } ::sumAvg: 4.33 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 292 29Q-HG2 G 2.58 ambi=2 { CG:34.4 } ::sumAvg: 2.4 atom: 292 29Q-HG2 G 2.58 ambi=2 { CG:34.4 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } ::sumAvg: 2.4 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 294 29Q-HE21 E2 7.68 ambi=1 { NE2:110.7 } :: atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 295 29Q-HE22 E2 6.86 ambi=1 { NE2:110.7 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 294 29Q-HE21 E2 7.68 ambi=1 { NE2:110.7 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 295 29Q-HE22 E2 6.86 ambi=1 { NE2:110.7 } ::sumAvg: 3.115 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } ::sumAvg: 3.625 atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } :: atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } ::sumAvg: 3.625 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 4.875 atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } :: atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.685 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } :: atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } ::sumAvg: 4.685 atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } :: atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } ::sumAvg: 4.555 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 290 29Q-HB2 B 2.14 ambi=2 { CB:28.8 } :: atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 291 29Q-HB3 B 2.26 ambi=2 { CB:28.8 } ::sumAvg: 3.145 atom: 293 29Q-HG3 G 2.25 ambi=2 { CG:34.4 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.28 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 293 29Q-HG3 G 2.25 ambi=2 { CG:34.4 } ::sumAvg: 4.28 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 292 29Q-HG2 G 2.58 ambi=2 { CG:34.4 } :: atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 293 29Q-HG3 G 2.25 ambi=2 { CG:34.4 } ::sumAvg: 3.68 atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 294 29Q-HE21 E2 7.68 ambi=1 { NE2:110.7 } :: atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 295 29Q-HE22 E2 6.86 ambi=1 { NE2:110.7 } ::sumAvg: 4.88 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 294 29Q-HE21 E2 7.68 ambi=1 { NE2:110.7 } :: atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 295 29Q-HE22 E2 6.86 ambi=1 { NE2:110.7 } ::sumAvg: 4.355 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 3.5 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } ::sumAvg: 4.145 atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 4.145 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } ::sumAvg: 4.62 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 3.725 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } :: atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } ::sumAvg: 3.935 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.895 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 4.895 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 4.64 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 4.64 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 3.91 atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 3.91 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 4.125 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } ::sumAvg: 4.87 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 4.7 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 3.565 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 3.565 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } :: atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } ::sumAvg: 4.96 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 4.96 atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.13 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 307 30I-HG2 G2 0.58 ambi=1 { CG2:18 } ::sumAvg: 2.39 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 3.33 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } ::sumAvg: 3.33 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } :: atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 3.355 atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 3.52 atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } ::sumAvg: 3.52 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } :: atom: 305 30I-HG12 G1 0.6 ambi=2 { CG1:29.3 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 4.99 atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.05 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 306 30I-HG13 G1 1.93 ambi=2 { CG1:29.3 } ::sumAvg: 4.05 atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } ::sumAvg: 4.83 atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 4.83 atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } ::sumAvg: 4.335 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 2.69 atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 3.745 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 3.745 atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 3.245 atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } ::sumAvg: 4.21 atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.79 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 4.79 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 317 31L-HA A 3.52 ambi=1 { CA:58.1 } ::sumAvg: 3.99 atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } ::sumAvg: 2.475 atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 2.325 atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } ::sumAvg: 4.39 atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } ::sumAvg: 4.39 atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.27 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } ::sumAvg: 4.27 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } ::sumAvg: 4.75 atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.54 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } ::sumAvg: 4.54 atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } ::sumAvg: 3.98 atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.36 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } :: atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } ::sumAvg: 4.36 atom: 318 31L-HB2 B 0.62 ambi=2 { CB:41.1 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } :: atom: 319 31L-HB3 B 1.23 ambi=2 { CB:41.1 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 3.49 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 3.87 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 4.27 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } ::sumAvg: 2.69 atom: 308 30I-HD1 D1 0.66 ambi=1 { CD1:14.4 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.93 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } ::sumAvg: 4.47 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 316 31L-H N 7.5 ambi=1 { N:119.9 } ::sumAvg: 4.66 atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4.415 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } ::sumAvg: 4.855 atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } ::sumAvg: 4.975 atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } ::sumAvg: 4.975 atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.42 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 320 31L-HG G 1.26 ambi=1 { CG:26.2 } ::sumAvg: 4.42 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } :: atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } ::sumAvg: 3.565 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.565 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.375 atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 3.255 atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.255 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.835 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.805 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.995 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.15 atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.48 atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.795 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.82 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.69 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.69 atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.695 atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.315 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.06 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } :: atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } ::sumAvg: 4.175 atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } :: atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.175 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 3.78 atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 4.94 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 3.575 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } :: atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } ::sumAvg: 3.575 atom: 321 31L-HD1 D1 0.49 ambi=2 { CD1:25.3 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } :: atom: 322 31L-HD2 D2 0.36 ambi=2 { CD2:23.9 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 3.31 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } :: atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 389 37G-HA3 A 4.49 ambi=2 { CA:44.5 } ::sumAvg: 4.49 atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 4.345 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } ::sumAvg: 4.345 atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } :: atom: 389 37G-HA3 A 4.49 ambi=2 { CA:44.5 } atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } ::sumAvg: 4.8 atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } :: atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } atom: 389 37G-HA3 A 4.49 ambi=2 { CA:44.5 } ::sumAvg: 4.8 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4.925 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 330 32D-H N 7.95 ambi=1 { N:116.9 } ::sumAvg: 4.695 atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } ::sumAvg: 3.52 atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 4.515 atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 4.56 atom: 331 32D-HA A 4.3 ambi=1 { CA:57.4 } atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } ::sumAvg: 4.115 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } ::sumAvg: 4.445 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.59 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 4.845 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.45 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } ::sumAvg: 4.45 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 3.795 atom: 332 32D-QB B 2.73 ambi=2 { CB:42.4 } atom: 959 90F-HZ Z 7.11 ambi=1 { CZ:130 } ::sumAvg: 3.755 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } ::sumAvg: 4.84 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 338 33L-H N 7.35 ambi=1 { N:118.6 } ::sumAvg: 4.665 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } ::sumAvg: 2.505 atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } ::sumAvg: 3.31 atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.71 atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } :: atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } ::sumAvg: 4.17 atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } :: atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } ::sumAvg: 4.17 atom: 377 36Q-HG2 G 2.41 ambi=2 { CG:34 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } :: atom: 378 36Q-HG3 G 2.5 ambi=2 { CG:34 } atom: 339 33L-HA A 4.13 ambi=1 { CA:57.6 } ::sumAvg: 4.33 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 2.305 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 2.765 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.3 atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } ::sumAvg: 4.885 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 4.885 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } ::sumAvg: 4.865 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.975 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 4.975 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } ::sumAvg: 4.465 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 4.465 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 3.85 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 3.85 atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } :: atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.13 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 340 33L-HB2 B 1.69 ambi=2 { CB:42.3 } :: atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 341 33L-HB3 B 1.74 ambi=2 { CB:42.3 } ::sumAvg: 4.13 atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 4.43 atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } ::sumAvg: 4.955 atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } :: atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } ::sumAvg: 4.955 atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 4.47 atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.915 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } ::sumAvg: 4.915 atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } ::sumAvg: 4.755 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 342 33L-HG G 1.59 ambi=1 { CG:27 } ::sumAvg: 4.755 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 4.995 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 373 36Q-H N 7.6 ambi=1 { N:113.3 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 373 36Q-H N 7.6 ambi=1 { N:113.3 } ::sumAvg: 4.745 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 4.125 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.175 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 4.455 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } :: atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } ::sumAvg: 4.455 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 2.715 atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } :: atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } ::sumAvg: 4.97 atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 343 33L-HD1 D1 0.83 ambi=2 { CD1:27 } :: atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 344 33L-HD2 D2 0.85 ambi=2 { CD2:24.6 } ::sumAvg: 4.97 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 352 34L-H N 8.3 ambi=1 { N:117.8 } ::sumAvg: 4.225 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 3.38 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } ::sumAvg: 3.43 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } ::sumAvg: 4.77 atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.77 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.94 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.94 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 373 36Q-H N 7.6 ambi=1 { N:113.3 } ::sumAvg: 3.63 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 387 37G-H N 7.55 ambi=1 { N:108.4 } ::sumAvg: 3.41 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.61 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.55 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.615 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.615 atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } :: atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } ::sumAvg: 4.92 atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } :: atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 353 34L-HA A 4.49 ambi=1 { CA:55.8 } ::sumAvg: 4.92 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 2.435 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } ::sumAvg: 2.435 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } ::sumAvg: 3.185 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } ::sumAvg: 4.53 atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } :: atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } ::sumAvg: 4.53 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 387 37G-H N 7.55 ambi=1 { N:108.4 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 387 37G-H N 7.55 ambi=1 { N:108.4 } ::sumAvg: 4.84 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 4.645 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } :: atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } ::sumAvg: 4.645 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.05 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 3.47 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 3.625 atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } ::sumAvg: 2.89 atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } ::sumAvg: 2.89 atom: 354 34L-HB2 B 1.34 ambi=2 { CB:41.3 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } :: atom: 355 34L-HB3 B 1.69 ambi=2 { CB:41.3 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 3.42 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.745 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 4.745 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.34 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.395 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 4.395 atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.495 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 356 34L-HG G 1.84 ambi=1 { CG:26.3 } ::sumAvg: 4.495 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 366 35A-H N 8.16 ambi=1 { N:123.9 } ::sumAvg: 4.605 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.345 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 3.04 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 4.615 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.615 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } ::sumAvg: 4.585 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 4.975 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.945 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 4.95 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.95 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 2.905 atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 2.905 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 2.98 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.945 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.945 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } ::sumAvg: 3.73 atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 3.73 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.765 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } ::sumAvg: 4.275 atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.275 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 3.855 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 4.495 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.495 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 2.765 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.285 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } ::sumAvg: 3.67 atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 4.48 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 3.875 atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } :: atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } :: atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } ::sumAvg: 3.965 atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 357 34L-HD1 D1 0.53 ambi=2 { CD1:26.8 } :: atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 358 34L-HD2 D2 0.86 ambi=2 { CD2:22.4 } ::sumAvg: 3.965 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } ::sumAvg: 2.125 atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } :: atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } ::sumAvg: 4.095 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 367 35A-HA A 4.05 ambi=1 { CA:54.9 } ::sumAvg: 4.59 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 373 36Q-H N 7.6 ambi=1 { N:113.3 } ::sumAvg: 3.085 atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } :: atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.6 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 377 36Q-HG2 G 2.41 ambi=2 { CG:34 } :: atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 378 36Q-HG3 G 2.5 ambi=2 { CG:34 } ::sumAvg: 4.53 atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.775 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.99 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } ::sumAvg: 4.99 atom: 368 35A-HB B 1.56 ambi=1 { CB:17.5 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 3.71 atom: 374 36Q-HA A 4.34 ambi=1 { CA:55.8 } atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } ::sumAvg: 4.635 atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } atom: 374 36Q-HA A 4.34 ambi=1 { CA:55.8 } ::sumAvg: 4.635 atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } :: atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } atom: 389 37G-HA3 A 4.49 ambi=2 { CA:44.5 } :: atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } :: atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } atom: 389 37G-HA3 A 4.49 ambi=2 { CA:44.5 } ::sumAvg: 4.665 atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } :: atom: 389 37G-HA3 A 4.49 ambi=2 { CA:44.5 } atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } :: atom: 388 37G-HA2 A 3.73 ambi=2 { CA:44.5 } atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } :: atom: 389 37G-HA3 A 4.49 ambi=2 { CA:44.5 } atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } ::sumAvg: 4.665 atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } atom: 379 36Q-HE21 E2 7.52 ambi=1 { NE2:112.8 } :: atom: 375 36Q-HB2 B 2.13 ambi=2 { CB:29 } atom: 380 36Q-HE22 E2 6.88 ambi=1 { NE2:112.8 } :: atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } atom: 379 36Q-HE21 E2 7.52 ambi=1 { NE2:112.8 } :: atom: 376 36Q-HB3 B 2.38 ambi=2 { CB:29 } atom: 380 36Q-HE22 E2 6.88 ambi=1 { NE2:112.8 } ::sumAvg: 3.455 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 387 37G-H N 7.55 ambi=1 { N:108.4 } ::sumAvg: 4.785 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 4.475 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } ::sumAvg: 4.475 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 3.46 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } ::sumAvg: 3.46 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 4.09 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 3.99 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } ::sumAvg: 3.955 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } ::sumAvg: 3.745 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } ::sumAvg: 4.2 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 393 38E-H N 8.12 ambi=1 { N:119.6 } ::sumAvg: 2.895 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } ::sumAvg: 2.3 atom: 395 38E-QB B 1.91 ambi=2 { CB:31.2 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 2.3 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } ::sumAvg: 2.94 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 2.24 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } :: atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 4.445 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 4.445 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.86 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } :: atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } ::sumAvg: 3.575 atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 3.575 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } :: atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 848 80R-HG3 G 1.64 ambi=2 { CG:25.9 } ::sumAvg: 4.965 atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } :: atom: 848 80R-HG3 G 1.64 ambi=2 { CG:25.9 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 4.965 atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } ::sumAvg: 4.885 atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } atom: 394 38E-HA A 4.82 ambi=1 { CA:56.4 } ::sumAvg: 4.885 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.3 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.3 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 3.625 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 438 42E-H N 9.64 ambi=1 { N:119 } ::sumAvg: 4.54 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.845 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.62 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 4.605 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.605 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.14 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.11 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.11 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } ::sumAvg: 4.875 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 3.44 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } ::sumAvg: 4.55 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.895 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.895 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.36 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.43 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 429 41V-HB B 2.11 ambi=1 { CB:31.6 } ::sumAvg: 4.205 atom: 429 41V-HB B 2.11 ambi=1 { CB:31.6 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.205 atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 3.35 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.985 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 4.655 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.655 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.74 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 3.475 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 3.475 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.77 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } ::sumAvg: 4.785 atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.785 atom: 786 76R-HB3 B 1.93 ambi=2 { CB:32.7 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 3.445 atom: 788 76R-HG3 G 1.69 ambi=2 { CG:27.5 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.225 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } ::sumAvg: 4.01 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 4.9 atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.9 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.81 atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 4.945 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } ::sumAvg: 4.945 atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 3.26 atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } ::sumAvg: 3.26 atom: 397 38E-QG G 2.12 ambi=2 { CG:36.8 } atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } ::sumAvg: 4.26 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 2.94 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 2.805 atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } :: atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.82 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.915 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 3.575 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.725 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.115 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.15 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.17 atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 404 39R-H N 8.58 ambi=1 { N:121.5 } ::sumAvg: 4.495 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.05 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } :: atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 2.645 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 408 39R-HG2 G 1.52 ambi=2 { CG:27.2 } :: atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 409 39R-HG3 G 1.88 ambi=2 { CG:27.2 } ::sumAvg: 2.87 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } ::sumAvg: 3.375 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 4.785 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } ::sumAvg: 2.33 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 3.965 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.91 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.68 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } ::sumAvg: 4.68 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 3.31 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } ::sumAvg: 4.425 atom: 405 39R-HA A 4.97 ambi=1 { CA:53.9 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.815 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } ::sumAvg: 4.745 atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } :: atom: 421 40A-HA A 4.92 ambi=1 { CA:51.1 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 4.745 atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } ::sumAvg: 4.725 atom: 422 40A-HB B 1.28 ambi=1 { CB:19.2 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 4.725 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 4.39 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.11 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.59 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } :: atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 4.59 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } ::sumAvg: 2.85 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.945 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } :: atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } ::sumAvg: 4.945 atom: 406 39R-HB2 B 1.61 ambi=2 { CB:36.4 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } :: atom: 407 39R-HB3 B 1.86 ambi=2 { CB:36.4 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.795 atom: 408 39R-HG2 G 1.52 ambi=2 { CG:27.2 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } :: atom: 409 39R-HG3 G 1.88 ambi=2 { CG:27.2 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 2.92 atom: 408 39R-HG2 G 1.52 ambi=2 { CG:27.2 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 409 39R-HG3 G 1.88 ambi=2 { CG:27.2 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } ::sumAvg: 4.48 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 408 39R-HG2 G 1.52 ambi=2 { CG:27.2 } :: atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 409 39R-HG3 G 1.88 ambi=2 { CG:27.2 } ::sumAvg: 4.48 atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } :: atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 2.63 atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } :: atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 4.355 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 410 39R-HD2 D 3.27 ambi=2 { CD:43.2 } :: atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 411 39R-HD3 D 2.99 ambi=2 { CD:43.2 } ::sumAvg: 4.355 atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } atom: 412 39R-HE E 7.26 ambi=1 { NE:84.4 } ::sumAvg: 4.255 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } ::sumAvg: 4.315 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } ::sumAvg: 4.73 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 420 40A-H N 8.91 ambi=1 { N:125.1 } ::sumAvg: 4.245 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } ::sumAvg: 3.025 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } :: atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } ::sumAvg: 4.945 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } ::sumAvg: 3.185 atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } :: atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } ::sumAvg: 3.185 atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } :: atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } ::sumAvg: 3.335 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.22 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.52 atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 4.875 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 4.765 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 4.71 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 3.7 atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } atom: 427 41V-H N 8.42 ambi=1 { N:120.9 } ::sumAvg: 3.835 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } ::sumAvg: 4.825 atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.825 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.585 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 3.54 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.17 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.17 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.59 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.59 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 4.295 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.295 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.88 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } ::sumAvg: 4.88 atom: 428 41V-HA A 3.43 ambi=1 { CA:67.6 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.04 atom: 429 41V-HB B 2.11 ambi=1 { CB:31.6 } atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } ::sumAvg: 4.17 atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } atom: 429 41V-HB B 2.11 ambi=1 { CB:31.6 } ::sumAvg: 4.17 atom: 429 41V-HB B 2.11 ambi=1 { CB:31.6 } atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } ::sumAvg: 4.56 atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } :: atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } ::sumAvg: 4.68 atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } atom: 442 42E-HG2 G 2.27 ambi=2 { CG:37 } :: atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } atom: 443 42E-HG3 G 2.48 ambi=2 { CG:37 } :: atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } atom: 442 42E-HG2 G 2.27 ambi=2 { CG:37 } :: atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } atom: 443 42E-HG3 G 2.48 ambi=2 { CG:37 } ::sumAvg: 4.805 atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } :: atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 3.86 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 3.86 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } ::sumAvg: 3.125 atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 4.64 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } ::sumAvg: 4.44 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 4.145 atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } :: atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } ::sumAvg: 3.635 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 4.49 atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } :: atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.56 atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } :: atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.29 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 430 41V-HG1 G1 0.91 ambi=2 { CG1:20.6 } :: atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 431 41V-HG2 G2 1.09 ambi=2 { CG2:23.1 } ::sumAvg: 4.29 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 438 42E-H N 9.64 ambi=1 { N:119 } ::sumAvg: 4.8 atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.765 atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } ::sumAvg: 4.765 atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.615 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } ::sumAvg: 2.94 atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 4.72 atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } ::sumAvg: 4.72 atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } atom: 533 52L-HG G 1.68 ambi=1 { CG:27.4 } ::sumAvg: 3.59 atom: 533 52L-HG G 1.68 ambi=1 { CG:27.4 } atom: 439 42E-HA A 3.88 ambi=1 { CA:60.6 } ::sumAvg: 3.59 atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } atom: 443 42E-HG3 G 2.48 ambi=2 { CG:37 } ::sumAvg: 2.23 atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 3.985 atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.705 atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.485 atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } :: atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } atom: 440 42E-QB B 2.01 ambi=2 { CB:28.3 } ::sumAvg: 3.2 atom: 533 52L-HG G 1.68 ambi=1 { CG:27.4 } atom: 442 42E-HG2 G 2.27 ambi=2 { CG:37 } :: atom: 533 52L-HG G 1.68 ambi=1 { CG:27.4 } atom: 443 42E-HG3 G 2.48 ambi=2 { CG:37 } ::sumAvg: 4 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.825 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.295 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 449 43A-H N 6.87 ambi=1 { N:120.5 } ::sumAvg: 4.885 atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 4.82 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.82 atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } ::sumAvg: 4.58 atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.98 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.98 atom: 480 46T-HG2 G2 1.25 ambi=1 { CG2:21.7 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.43 atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } ::sumAvg: 4.495 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 450 43A-HA A 4.29 ambi=1 { CA:54.1 } ::sumAvg: 4.495 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 3.86 atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 4.67 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.67 atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } ::sumAvg: 3.255 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 3.255 atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.985 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.985 atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } ::sumAvg: 4.825 atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } atom: 479 46T-HB B 4.13 ambi=1 { CB:68.8 } ::sumAvg: 4.49 atom: 479 46T-HB B 4.13 ambi=1 { CB:68.8 } atom: 451 43A-HB B 1.65 ambi=1 { CB:19.1 } ::sumAvg: 4.49 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 456 44I-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.37 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 2.41 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } ::sumAvg: 4.635 atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } ::sumAvg: 4.285 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 457 44I-HA A 3.47 ambi=1 { CA:64.7 } ::sumAvg: 3.97 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 2.49 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 4.205 atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 4.205 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 3.885 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 3.885 atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 3.57 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 458 44I-HB B 2.05 ambi=1 { CB:38.1 } ::sumAvg: 3.57 atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 2.37 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 2.37 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } ::sumAvg: 4.165 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } ::sumAvg: 4.865 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } ::sumAvg: 4.865 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.425 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.845 atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } :: atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.555 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 459 44I-HG12 G1 0.76 ambi=2 { CG1:29.1 } :: atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 460 44I-HG13 G1 1.78 ambi=2 { CG1:29.1 } ::sumAvg: 4.555 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.045 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.045 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } ::sumAvg: 4.91 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } ::sumAvg: 4.86 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 2.965 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.13 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.685 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 2.675 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 3.925 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 3.925 atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.765 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 461 44I-HG2 G2 0.71 ambi=1 { CG2:17.7 } ::sumAvg: 4.765 atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.84 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 4.195 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.195 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 4.475 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.475 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 4.835 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 4.835 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } ::sumAvg: 2.355 atom: 462 44I-HD1 D1 0.8 ambi=1 { CD1:14.7 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 4.72 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 470 45A-H N 8.46 ambi=1 { N:124.5 } ::sumAvg: 4.92 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 3.915 atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } ::sumAvg: 4.98 atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 4.98 atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.395 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 4.395 atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } ::sumAvg: 4.505 atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } :: atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } ::sumAvg: 4.365 atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } :: atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 4.365 atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } :: atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } ::sumAvg: 4.96 atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } :: atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } atom: 471 45A-HA A 3.72 ambi=1 { CA:56.2 } ::sumAvg: 4.96 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } ::sumAvg: 4.21 atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.21 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } ::sumAvg: 2.47 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 478 46T-HA A 3.9 ambi=1 { CA:66.4 } ::sumAvg: 3.79 atom: 478 46T-HA A 3.9 ambi=1 { CA:66.4 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 3.79 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 479 46T-HB B 4.13 ambi=1 { CB:68.8 } ::sumAvg: 4.66 atom: 479 46T-HB B 4.13 ambi=1 { CB:68.8 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.66 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 486 47A-H N 7.93 ambi=1 { N:121.4 } ::sumAvg: 4.59 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } ::sumAvg: 4.77 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } ::sumAvg: 3.89 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } ::sumAvg: 4.875 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } :: atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } ::sumAvg: 4.64 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } ::sumAvg: 4.395 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } ::sumAvg: 3.41 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 3.41 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 529 52L-H N 8.56 ambi=1 { N:120.6 } ::sumAvg: 3.42 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } :: atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } ::sumAvg: 2.43 atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } :: atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 2.43 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 3.89 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.745 atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } ::sumAvg: 4.745 atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 472 45A-HB B 1.4 ambi=1 { CB:17.4 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.815 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 477 46T-H N 8.08 ambi=1 { N:112.4 } ::sumAvg: 4.435 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 479 46T-HB B 4.13 ambi=1 { CB:68.8 } ::sumAvg: 3.875 atom: 479 46T-HB B 4.13 ambi=1 { CB:68.8 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } ::sumAvg: 4.955 atom: 487 47A-HA A 4.2 ambi=1 { CA:54.8 } atom: 480 46T-HG2 G2 1.25 ambi=1 { CG2:21.7 } ::sumAvg: 3.55 atom: 480 46T-HG2 G2 1.25 ambi=1 { CG2:21.7 } atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } ::sumAvg: 4.54 atom: 503 49G-HA2 A 3.87 ambi=2 { CA:46.3 } atom: 480 46T-HG2 G2 1.25 ambi=1 { CG2:21.7 } :: atom: 504 49G-HA3 A 4.1 ambi=2 { CA:46.3 } atom: 480 46T-HG2 G2 1.25 ambi=1 { CG2:21.7 } ::sumAvg: 4.74 atom: 487 47A-HA A 4.2 ambi=1 { CA:54.8 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.925 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } ::sumAvg: 3.915 atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } ::sumAvg: 3.915 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 3.05 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } ::sumAvg: 3.05 atom: 488 47A-HB B 1.52 ambi=1 { CB:19.8 } atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } ::sumAvg: 4.395 atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } ::sumAvg: 2.91 atom: 503 49G-HA2 A 3.87 ambi=2 { CA:46.3 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } :: atom: 504 49G-HA3 A 4.1 ambi=2 { CA:46.3 } atom: 493 48T-H N 7.56 ambi=1 { N:103.5 } ::sumAvg: 4.655 atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } ::sumAvg: 3.385 atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 503 49G-HA2 A 3.87 ambi=2 { CA:46.3 } ::sumAvg: 4.51 atom: 503 49G-HA2 A 3.87 ambi=2 { CA:46.3 } atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } ::sumAvg: 4.51 atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } ::sumAvg: 4.855 atom: 494 48T-HA A 4.39 ambi=1 { CA:61.8 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.555 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } ::sumAvg: 4.16 atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } ::sumAvg: 4.04 atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } :: atom: 495 48T-HB B 4.21 ambi=1 { CB:71 } atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } ::sumAvg: 4.075 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.96 atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } :: atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } ::sumAvg: 4.985 atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } :: atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } atom: 496 48T-HG2 G2 1.11 ambi=1 { CG2:21.7 } ::sumAvg: 4.985 atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } :: atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } atom: 502 49G-H N 7.82 ambi=1 { N:111.1 } ::sumAvg: 4.88 atom: 503 49G-HA2 A 3.87 ambi=2 { CA:46.3 } atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } :: atom: 504 49G-HA3 A 4.1 ambi=2 { CA:46.3 } atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } ::sumAvg: 3.025 atom: 503 49G-HA2 A 3.87 ambi=2 { CA:46.3 } atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } :: atom: 504 49G-HA3 A 4.1 ambi=2 { CA:46.3 } atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } ::sumAvg: 4.45 atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } atom: 503 49G-HA2 A 3.87 ambi=2 { CA:46.3 } :: atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } atom: 504 49G-HA3 A 4.1 ambi=2 { CA:46.3 } ::sumAvg: 4.45 atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } atom: 508 50M-H N 7.93 ambi=1 { N:119.3 } ::sumAvg: 2.94 atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } atom: 510 50M-HB2 B 1.73 ambi=2 { CB:37.2 } :: atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } atom: 511 50M-HB3 B 1.94 ambi=2 { CB:37.2 } ::sumAvg: 2.505 atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.48 atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } ::sumAvg: 4.625 atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 509 50M-HA A 4.54 ambi=1 { CA:55.1 } ::sumAvg: 4.625 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 2.535 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.86 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.86 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 3.535 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } ::sumAvg: 4.385 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 3.755 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.185 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.835 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 4.735 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 2.515 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } ::sumAvg: 2.515 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } ::sumAvg: 4.34 atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } :: atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } ::sumAvg: 4.34 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } ::sumAvg: 4.545 atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } :: atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } ::sumAvg: 4.545 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } ::sumAvg: 4.78 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } :: atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } ::sumAvg: 4.75 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.43 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 3.58 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 2.98 atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } :: atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } ::sumAvg: 3.84 atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } :: atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } ::sumAvg: 4.295 atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } :: atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } ::sumAvg: 4.295 atom: 512 50M-HG2 G 2.39 ambi=2 { CG:32.7 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } :: atom: 513 50M-HG3 G 2.58 ambi=2 { CG:32.7 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.88 atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } ::sumAvg: 4.53 atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.53 atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } ::sumAvg: 3.845 atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 3.845 atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 3.595 atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 514 50M-HE E 1.98 ambi=1 { CE:17.6 } ::sumAvg: 4.74 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } ::sumAvg: 2.895 atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } ::sumAvg: 3.16 atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 521 51N-H N 8.04 ambi=1 { N:118 } ::sumAvg: 4.085 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } :: atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } ::sumAvg: 2.555 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 529 52L-H N 8.56 ambi=1 { N:120.6 } ::sumAvg: 2.38 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 530 52L-HA A 3.76 ambi=1 { CA:59 } ::sumAvg: 4.315 atom: 530 52L-HA A 3.76 ambi=1 { CA:59 } atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } ::sumAvg: 4.315 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 4.55 atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } ::sumAvg: 4.55 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } :: atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } ::sumAvg: 4.36 atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } :: atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } ::sumAvg: 4.36 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } ::sumAvg: 4.51 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } ::sumAvg: 4.92 atom: 522 51N-HA A 4.58 ambi=1 { CA:52.8 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 4.99 atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } :: atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 4.68 atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } :: atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } ::sumAvg: 4.68 atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } :: atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } ::sumAvg: 3.5 atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } atom: 546 53T-HG2 G2 1.21 ambi=1 { CG2:21.7 } :: atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } atom: 546 53T-HG2 G2 1.21 ambi=1 { CG2:21.7 } ::sumAvg: 4.835 atom: 546 53T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } :: atom: 546 53T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } ::sumAvg: 4.835 atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } :: atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } ::sumAvg: 3.505 atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } :: atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } ::sumAvg: 4.06 atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } :: atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } ::sumAvg: 4.06 atom: 523 51N-HB2 B 2.69 ambi=2 { CB:41.1 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } :: atom: 524 51N-HB3 B 3.06 ambi=2 { CB:41.1 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.815 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 529 52L-H N 8.56 ambi=1 { N:120.6 } ::sumAvg: 4.74 atom: 530 52L-HA A 3.76 ambi=1 { CA:59 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 3.59 atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } :: atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 2.195 atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 544 53T-HA A 3.88 ambi=1 { CA:66.5 } ::sumAvg: 3.955 atom: 544 53T-HA A 3.88 ambi=1 { CA:66.5 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 3.955 atom: 546 53T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 4.225 atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 552 54T-H N 8.42 ambi=1 { N:122.3 } ::sumAvg: 4.805 atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } ::sumAvg: 4.84 atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } ::sumAvg: 4.82 atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } atom: 531 52L-QB B 1.67 ambi=2 { CB:41.8 } ::sumAvg: 4.82 atom: 534 52L-HD1 D1 0.86 ambi=2 { CD1:24.5 } atom: 533 52L-HG G 1.68 ambi=1 { CG:27.4 } :: atom: 535 52L-HD2 D2 0.92 ambi=2 { CD2:24.9 } atom: 533 52L-HG G 1.68 ambi=1 { CG:27.4 } ::sumAvg: 2.115 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 543 53T-H N 8.23 ambi=1 { N:115.8 } ::sumAvg: 4.87 atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 544 53T-HA A 3.88 ambi=1 { CA:66.5 } ::sumAvg: 4.81 atom: 546 53T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } ::sumAvg: 4.825 atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } atom: 546 53T-HG2 G2 1.21 ambi=1 { CG2:21.7 } ::sumAvg: 4.825 atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 553 54T-HA A 3.88 ambi=1 { CA:66.6 } ::sumAvg: 3 atom: 553 54T-HA A 3.88 ambi=1 { CA:66.6 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 553 54T-HA A 3.88 ambi=1 { CA:66.6 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 4.65 atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 3.855 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 554 54T-HB B 3.89 ambi=1 { CB:66.6 } ::sumAvg: 3.855 atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 3.875 atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 576 57A-H N 8.09 ambi=1 { N:124 } ::sumAvg: 4.84 atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } :: atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } ::sumAvg: 4.655 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 555 54T-HG2 G2 1.21 ambi=1 { CG2:21.7 } ::sumAvg: 4.655 atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } atom: 561 55A-H N 8.86 ambi=1 { N:125.6 } ::sumAvg: 4.785 atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 576 57A-H N 8.09 ambi=1 { N:124 } ::sumAvg: 4.445 atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.905 atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.905 atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 3.57 atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.11 atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.495 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.495 atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 4.03 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 562 55A-HA A 4.02 ambi=1 { CA:56.1 } ::sumAvg: 4.03 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } :: atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } ::sumAvg: 4.925 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } ::sumAvg: 4.925 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } ::sumAvg: 3.795 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 4.85 atom: 563 55A-HB B 1.17 ambi=1 { CB:17 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.52 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } ::sumAvg: 4.925 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } ::sumAvg: 3.96 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 568 56S-H N 8.44 ambi=1 { N:112.7 } ::sumAvg: 4.905 atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 4.62 atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 3.75 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } ::sumAvg: 3.75 atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 4.135 atom: 569 56S-HA A 3.92 ambi=1 { CA:62.6 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 4.605 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } ::sumAvg: 4.34 atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } ::sumAvg: 4.235 atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 3.75 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } ::sumAvg: 3.75 atom: 570 56S-QB B 4.01 ambi=2 { CB:62.7 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 4.935 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 576 57A-H N 8.09 ambi=1 { N:124 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 576 57A-H N 8.09 ambi=1 { N:124 } ::sumAvg: 4.97 atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 3.56 atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.485 atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 3.615 atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } ::sumAvg: 4.465 atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } ::sumAvg: 4.465 atom: 577 57A-HA A 4.13 ambi=1 { CA:55.2 } atom: 622 61A-H N 7.58 ambi=1 { N:122.2 } ::sumAvg: 4.46 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.465 atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 4.08 atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.495 atom: 578 57A-HB B 1.47 ambi=1 { CB:17.9 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 4.68 atom: 596 59L-HB2 B 0.57 ambi=2 { CB:40.5 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } :: atom: 597 59L-HB3 B 1.64 ambi=2 { CB:40.5 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 4.7 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 4.54 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 583 58N-H N 7.97 ambi=1 { N:117.6 } ::sumAvg: 4.955 atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.81 atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 4.81 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 2.56 atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 4.095 atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 4.43 atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.25 atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 4.82 atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } :: atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } atom: 584 58N-HA A 4.48 ambi=1 { CA:56.9 } ::sumAvg: 4.82 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 595 59L-HA A 3.71 ambi=1 { CA:58.6 } ::sumAvg: 4.635 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 587 58N-HD21 D2 7.72 ambi=2 { ND2:114.4 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 588 58N-HD22 D2 6.68 ambi=2 { ND2:114.4 } ::sumAvg: 2.545 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 3.31 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.85 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 4.45 atom: 585 58N-HB2 B 2.1 ambi=2 { CB:39.8 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } :: atom: 586 58N-HB3 B 2.63 ambi=2 { CB:39.8 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.32 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 2.455 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 594 59L-H N 8.53 ambi=1 { N:122.6 } ::sumAvg: 4.88 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.995 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.51 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.715 atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 4.495 atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } :: atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 4.96 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 599 59L-HD1 D1 0.26 ambi=2 { CD1:25.7 } :: atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 600 59L-HD2 D2 0.22 ambi=2 { CD2:23.3 } ::sumAvg: 2.795 atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 4.49 atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } :: atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } atom: 598 59L-HG G 1.34 ambi=1 { CG:27.3 } ::sumAvg: 4.56 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } ::sumAvg: 2.125 atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 4.345 atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 4.43 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 2.565 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 3.89 atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.39 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 3.8 atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } :: atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 3.8 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 4.46 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } ::sumAvg: 4.69 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 661 64S-QB B 4.01 ambi=2 { CB:63 } ::sumAvg: 4.575 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 4.775 atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } atom: 608 60Q-H N 8.2 ambi=1 { N:118.9 } ::sumAvg: 4.355 atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 614 60Q-HE21 E2 7.34 ambi=1 { NE2:112.3 } ::sumAvg: 4.67 atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.61 atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } ::sumAvg: 4.535 atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } ::sumAvg: 4.355 atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } ::sumAvg: 4.355 atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } ::sumAvg: 4.7 atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } ::sumAvg: 4.105 atom: 609 60Q-HA A 4.02 ambi=1 { CA:58.8 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 4.24 atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } ::sumAvg: 4.095 atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } atom: 614 60Q-HE21 E2 7.34 ambi=1 { NE2:112.3 } :: atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } atom: 615 60Q-HE22 E2 6.89 ambi=1 { NE2:112.3 } ::sumAvg: 3.25 atom: 610 60Q-QB B 2.16 ambi=2 { CB:27.7 } atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } ::sumAvg: 4.51 atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } atom: 623 61A-HA A 4.23 ambi=1 { CA:55.1 } ::sumAvg: 4.73 atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } atom: 624 61A-HB B 1.47 ambi=1 { CB:17.6 } ::sumAvg: 4.875 atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } ::sumAvg: 4.595 atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } atom: 612 60Q-QG G 2.46 ambi=2 { CG:33.8 } ::sumAvg: 4.595 atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } :: atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } atom: 629 62L-H N 7.83 ambi=1 { N:119 } ::sumAvg: 4.855 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } :: atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } ::sumAvg: 2.595 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } ::sumAvg: 2.595 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.355 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 3.51 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 659 64S-H N 8.64 ambi=1 { N:117.7 } ::sumAvg: 4.56 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 3.46 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } ::sumAvg: 4.38 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } ::sumAvg: 4.38 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.71 atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } ::sumAvg: 4.59 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 630 62L-HA A 3.98 ambi=1 { CA:58.1 } ::sumAvg: 4.59 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 633 62L-HG G 1.72 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.51 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 3.37 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } ::sumAvg: 4.66 atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } :: atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } ::sumAvg: 4.66 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } ::sumAvg: 4.08 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } :: atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } ::sumAvg: 4.08 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } ::sumAvg: 4.725 atom: 631 62L-HB2 B 1.19 ambi=2 { CB:43.3 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } :: atom: 632 62L-HB3 B 2.12 ambi=2 { CB:43.3 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.09 atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } :: atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 4.995 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 4.245 atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 634 62L-HD1 D1 0.77 ambi=2 { CD1:25.8 } :: atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 635 62L-HD2 D2 0.63 ambi=2 { CD2:20 } ::sumAvg: 4.275 atom: 661 64S-QB B 4.01 ambi=2 { CB:63 } atom: 642 63K-H N 8.58 ambi=1 { N:123.4 } ::sumAvg: 4.77 atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } :: atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } ::sumAvg: 2.49 atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } ::sumAvg: 4.6 atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } ::sumAvg: 4.6 atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 4.38 atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 3.435 atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } ::sumAvg: 4.14 atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } ::sumAvg: 4.14 atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.74 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 643 63K-HA A 4.13 ambi=1 { CA:59.7 } ::sumAvg: 4.74 atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } atom: 660 64S-HA A 4.3 ambi=1 { CA:61.4 } :: atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } atom: 660 64S-HA A 4.3 ambi=1 { CA:61.4 } ::sumAvg: 4.375 atom: 660 64S-HA A 4.3 ambi=1 { CA:61.4 } atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } :: atom: 660 64S-HA A 4.3 ambi=1 { CA:61.4 } atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } ::sumAvg: 4.375 atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } :: atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.74 atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } :: atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.49 atom: 644 63K-HB2 B 1.75 ambi=2 { CB:32.6 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } :: atom: 645 63K-HB3 B 2.16 ambi=2 { CB:32.6 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 3.165 atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } ::sumAvg: 2.405 atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.825 atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.01 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } ::sumAvg: 4.01 atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } atom: 715 70A-H N 8.73 ambi=1 { N:122.8 } ::sumAvg: 4.865 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 646 63K-QG G 1.59 ambi=2 { CG:24.8 } ::sumAvg: 4.42 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } ::sumAvg: 4.17 atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.245 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } ::sumAvg: 4.245 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 648 63K-QD D 1.82 ambi=2 { CD:29.8 } ::sumAvg: 3.445 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } ::sumAvg: 3.6 atom: 650 63K-QE E 3.09 ambi=2 { CE:42.2 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.925 atom: 660 64S-HA A 4.3 ambi=1 { CA:61.4 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } ::sumAvg: 4.72 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 660 64S-HA A 4.3 ambi=1 { CA:61.4 } ::sumAvg: 4.72 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 661 64S-QB B 4.01 ambi=2 { CB:63 } ::sumAvg: 4.265 atom: 661 64S-QB B 4.01 ambi=2 { CB:63 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.77 atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } :: atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 4.82 atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } :: atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } atom: 667 65G-H N 7.28 ambi=1 { N:104.4 } ::sumAvg: 4.495 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } :: atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 3.11 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } :: atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } ::sumAvg: 4.485 atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } :: atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } ::sumAvg: 4.485 atom: 668 65G-HA2 A 3.24 ambi=2 { CA:45.1 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } :: atom: 669 65G-HA3 A 3.98 ambi=2 { CA:45.1 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } ::sumAvg: 3.895 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.98 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.415 atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } :: atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 3.8 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 673 66G-H N 7.73 ambi=1 { N:104.7 } ::sumAvg: 4.86 atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } :: atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } ::sumAvg: 4.72 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } :: atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } ::sumAvg: 4.72 atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } :: atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } ::sumAvg: 3.055 atom: 675 66G-HA3 A 3.75 ambi=2 { CA:45.4 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } :: atom: 674 66G-HA2 A 3.65 ambi=2 { CA:45.4 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.185 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 2.82 atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } ::sumAvg: 3.115 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 3.515 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.51 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } ::sumAvg: 4.51 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.345 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } ::sumAvg: 4.345 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.825 atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } ::sumAvg: 4.825 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 4.35 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.95 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } ::sumAvg: 4.95 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 2.18 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 3.21 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.395 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 3.14 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } ::sumAvg: 4.895 atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } ::sumAvg: 4.895 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.345 atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } ::sumAvg: 4.345 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } ::sumAvg: 4.7 atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } ::sumAvg: 4.7 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.885 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 4.605 atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 2.885 atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } :: atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 681 67L-QB B 1.6 ambi=2 { CB:42.4 } ::sumAvg: 2.885 atom: 680 67L-HA A 4.31 ambi=1 { CA:55.5 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } ::sumAvg: 2.915 atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 679 67L-H N 7.52 ambi=1 { N:110.6 } ::sumAvg: 4.65 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 4.725 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 4.87 atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 684 67L-HD1 D1 0.7 ambi=2 { CD1:23.4 } :: atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 685 67L-HD2 D2 0.82 ambi=2 { CD2:27.1 } ::sumAvg: 2.115 atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.845 atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 3.285 atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 683 67L-HG G 1.55 ambi=1 { CG:27 } ::sumAvg: 3.285 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 749 72R-QD D 3.13 ambi=2 { CD:43.2 } ::sumAvg: 3.35 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } :: atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } ::sumAvg: 4.58 atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } :: atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.58 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } ::sumAvg: 4.985 atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.985 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 758 73E-HA A 4.51 ambi=1 { CA:55.7 } ::sumAvg: 4.39 atom: 758 73E-HA A 4.51 ambi=1 { CA:55.7 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.39 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 4.2 atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.2 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 801 77Q-HG2 G 1.93 ambi=2 { CG:34.5 } :: atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 802 77Q-HG3 G 2.11 ambi=2 { CG:34.5 } ::sumAvg: 3.965 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 4.365 atom: 745 72R-HB2 B 1.65 ambi=2 { CB:32.5 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } :: atom: 746 72R-HB3 B 1.75 ambi=2 { CB:32.5 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } ::sumAvg: 4.025 atom: 745 72R-HB2 B 1.65 ambi=2 { CB:32.5 } atom: 758 73E-HA A 4.51 ambi=1 { CA:55.7 } :: atom: 746 72R-HB3 B 1.75 ambi=2 { CB:32.5 } atom: 758 73E-HA A 4.51 ambi=1 { CA:55.7 } ::sumAvg: 4.74 atom: 745 72R-HB2 B 1.65 ambi=2 { CB:32.5 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } :: atom: 746 72R-HB3 B 1.75 ambi=2 { CB:32.5 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.495 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 745 72R-HB2 B 1.65 ambi=2 { CB:32.5 } :: atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 746 72R-HB3 B 1.75 ambi=2 { CB:32.5 } ::sumAvg: 4.495 atom: 802 77Q-HG3 G 2.11 ambi=2 { CG:34.5 } atom: 745 72R-HB2 B 1.65 ambi=2 { CB:32.5 } ::sumAvg: 4.375 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.955 atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 3.81 atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } :: atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 693 68V-H N 6.89 ambi=1 { N:106.4 } ::sumAvg: 4.83 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.435 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.435 atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } :: atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.335 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } ::sumAvg: 4.55 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 4.795 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.02 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } ::sumAvg: 3.9 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 3.9 atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.875 atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.875 atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } :: atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 694 68V-HA A 5.19 ambi=1 { CA:57.4 } ::sumAvg: 4.655 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } ::sumAvg: 4.615 atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 3.335 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } ::sumAvg: 3.335 atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.725 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } ::sumAvg: 4.725 atom: 695 68V-HB B 2.15 ambi=1 { CB:36.4 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 4.635 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 3.605 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.465 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.465 atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } :: atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 4.145 atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } :: atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 3.89 atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 696 68V-HG1 G1 0.65 ambi=2 { CG1:22.7 } :: atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 697 68V-HG2 G2 0.63 ambi=2 { CG2:20.1 } ::sumAvg: 4.16 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 2.94 atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.895 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.64 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.71 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.82 atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } :: atom: 848 80R-HG3 G 1.64 ambi=2 { CG:25.9 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 4.98 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 704 69E-H N 8.88 ambi=1 { N:120.4 } ::sumAvg: 3.65 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 715 70A-H N 8.73 ambi=1 { N:122.8 } ::sumAvg: 2.52 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 4.595 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 4.915 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } ::sumAvg: 4.975 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.975 atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } ::sumAvg: 4.305 atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 705 69E-HA A 4.66 ambi=1 { CA:54.3 } ::sumAvg: 4.305 atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } :: atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } ::sumAvg: 4.47 atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } :: atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } ::sumAvg: 4.47 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } :: atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } ::sumAvg: 4.615 atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } :: atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } ::sumAvg: 2.925 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } :: atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } ::sumAvg: 2.925 atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } :: atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } ::sumAvg: 3.805 atom: 706 69E-HB2 B 1.59 ambi=2 { CB:34.1 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } :: atom: 707 69E-HB3 B 1.93 ambi=2 { CB:34.1 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 4.755 atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } :: atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } ::sumAvg: 4.605 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } ::sumAvg: 4.605 atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } ::sumAvg: 4.98 atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.39 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } ::sumAvg: 4.39 atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 3.85 atom: 716 70A-HA A 4.99 ambi=1 { CA:50 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 4.485 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 3.12 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 743 72R-H N 8.78 ambi=1 { N:123.6 } ::sumAvg: 4.925 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.82 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } ::sumAvg: 4.82 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 3.78 atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.715 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 717 70A-HB B 0.65 ambi=1 { CB:22.3 } ::sumAvg: 4.715 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 4.88 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 2.805 atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } :: atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 3.835 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 4.795 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 3.66 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 4.775 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 722 71R-H N 8.67 ambi=1 { N:120.1 } ::sumAvg: 3.595 atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.405 atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } ::sumAvg: 4.405 atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } :: atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } ::sumAvg: 3.1 atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } :: atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } ::sumAvg: 3.1 atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } atom: 728 71R-HD2 D 2.85 ambi=2 { CD:42.9 } :: atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } atom: 729 71R-HD3 D 3.16 ambi=2 { CD:42.9 } ::sumAvg: 3.425 atom: 728 71R-HD2 D 2.85 ambi=2 { CD:42.9 } atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } :: atom: 729 71R-HD3 D 3.16 ambi=2 { CD:42.9 } atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } ::sumAvg: 3.425 atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } ::sumAvg: 4.26 atom: 723 71R-HA A 4.63 ambi=1 { CA:54.6 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } ::sumAvg: 4.865 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 744 72R-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.97 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } ::sumAvg: 3.48 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } ::sumAvg: 4.71 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 3.36 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } :: atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } ::sumAvg: 3.36 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } ::sumAvg: 4.09 atom: 724 71R-HB2 B 1.65 ambi=2 { CB:33.6 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } :: atom: 725 71R-HB3 B 1.7 ambi=2 { CB:33.6 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 4.395 atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } :: atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } atom: 730 71R-HE E 8.31 ambi=1 { NE:84.1 } ::sumAvg: 2.945 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } :: atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } ::sumAvg: 4.26 atom: 726 71R-HG2 G 1.32 ambi=2 { CG:27.7 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } :: atom: 727 71R-HG3 G 1.4 ambi=2 { CG:27.7 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } ::sumAvg: 4.93 atom: 729 71R-HD3 D 3.16 ambi=2 { CD:42.9 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 729 71R-HD3 D 3.16 ambi=2 { CD:42.9 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.775 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 729 71R-HD3 D 3.16 ambi=2 { CD:42.9 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 729 71R-HD3 D 3.16 ambi=2 { CD:42.9 } ::sumAvg: 4.775 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 743 72R-H N 8.78 ambi=1 { N:123.6 } ::sumAvg: 4.845 atom: 747 72R-HG2 G 1.41 ambi=2 { CG:27.8 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } :: atom: 748 72R-HG3 G 1.49 ambi=2 { CG:27.8 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.295 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 747 72R-HG2 G 1.41 ambi=2 { CG:27.8 } :: atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 748 72R-HG3 G 1.49 ambi=2 { CG:27.8 } ::sumAvg: 4.295 atom: 747 72R-HG2 G 1.41 ambi=2 { CG:27.8 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 4.86 atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } atom: 747 72R-HG2 G 1.41 ambi=2 { CG:27.8 } ::sumAvg: 4.86 atom: 801 77Q-HG2 G 1.93 ambi=2 { CG:34.5 } atom: 747 72R-HG2 G 1.41 ambi=2 { CG:27.8 } :: atom: 802 77Q-HG3 G 2.11 ambi=2 { CG:34.5 } atom: 747 72R-HG2 G 1.41 ambi=2 { CG:27.8 } :: atom: 801 77Q-HG2 G 1.93 ambi=2 { CG:34.5 } atom: 748 72R-HG3 G 1.49 ambi=2 { CG:27.8 } :: atom: 802 77Q-HG3 G 2.11 ambi=2 { CG:34.5 } atom: 748 72R-HG3 G 1.49 ambi=2 { CG:27.8 } ::sumAvg: 4.755 atom: 749 72R-QD D 3.13 ambi=2 { CD:43.2 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.935 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 749 72R-QD D 3.13 ambi=2 { CD:43.2 } ::sumAvg: 4.935 atom: 749 72R-QD D 3.13 ambi=2 { CD:43.2 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 4.895 atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } atom: 749 72R-QD D 3.13 ambi=2 { CD:43.2 } ::sumAvg: 4.895 atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } :: atom: 786 76R-HB3 B 1.93 ambi=2 { CB:32.7 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } ::sumAvg: 4.675 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 757 73E-H N 8.72 ambi=1 { N:126.8 } ::sumAvg: 3.56 atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } :: atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } ::sumAvg: 4.105 atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } :: atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } :: atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } :: atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } ::sumAvg: 4.785 atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } :: atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } :: atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } :: atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } ::sumAvg: 4.785 atom: 759 73E-HB2 B 1.85 ambi=2 { CB:31.8 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } :: atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 4.625 atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } ::sumAvg: 4.915 atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } atom: 760 73E-HB3 B 2.08 ambi=2 { CB:31.8 } ::sumAvg: 4.915 atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } ::sumAvg: 4.03 atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } :: atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } atom: 761 73E-QG G 2.16 ambi=2 { CG:36.2 } ::sumAvg: 4.9 atom: 758 73E-HA A 4.51 ambi=1 { CA:55.7 } atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } ::sumAvg: 4.38 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 2.52 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 2.52 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 3.125 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 817 78Y-QE E 6.74 ambi=3 { CE1:118.2 } ::sumAvg: 4.74 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 2.24 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 4.4 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.205 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 4.205 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 831 79Y-QD D 6.77 ambi=3 { CD1:132.8 } ::sumAvg: 3.815 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 4.575 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.575 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } :: atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } ::sumAvg: 4.88 atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.88 atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } :: atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } atom: 768 74G-H N 9.19 ambi=1 { N:118.5 } ::sumAvg: 2.3 atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } :: atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } ::sumAvg: 2.165 atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 775 75T-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 4.385 atom: 775 75T-HA A 4.29 ambi=1 { CA:62 } atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } ::sumAvg: 4.385 atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } :: atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } ::sumAvg: 4.535 atom: 769 74G-HA2 A 3.7 ambi=2 { CA:47.1 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } :: atom: 770 74G-HA3 A 4.17 ambi=2 { CA:47.1 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 3.57 atom: 775 75T-HA A 4.29 ambi=1 { CA:62 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } ::sumAvg: 2.94 atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } ::sumAvg: 3.07 atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } ::sumAvg: 4.765 atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } :: atom: 786 76R-HB3 B 1.93 ambi=2 { CB:32.7 } atom: 774 75T-H N 8.78 ambi=1 { N:118 } ::sumAvg: 4.315 atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 775 75T-HA A 4.29 ambi=1 { CA:62 } ::sumAvg: 2.725 atom: 776 75T-HB B 4.52 ambi=1 { CB:69 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 3.9 atom: 776 75T-HB B 4.52 ambi=1 { CB:69 } atom: 787 76R-HG2 G 1.51 ambi=2 { CG:27.5 } :: atom: 776 75T-HB B 4.52 ambi=1 { CB:69 } atom: 788 76R-HG3 G 1.69 ambi=2 { CG:27.5 } ::sumAvg: 4.755 atom: 787 76R-HG2 G 1.51 ambi=2 { CG:27.5 } atom: 776 75T-HB B 4.52 ambi=1 { CB:69 } :: atom: 788 76R-HG3 G 1.69 ambi=2 { CG:27.5 } atom: 776 75T-HB B 4.52 ambi=1 { CB:69 } ::sumAvg: 4.755 atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 783 76R-H N 8.03 ambi=1 { N:122.6 } ::sumAvg: 3.695 atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } ::sumAvg: 4.535 atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } atom: 788 76R-HG3 G 1.69 ambi=2 { CG:27.5 } ::sumAvg: 4.2 atom: 788 76R-HG3 G 1.69 ambi=2 { CG:27.5 } atom: 777 75T-HG2 G2 1.21 ambi=1 { CG2:21.7 } ::sumAvg: 4.2 atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } atom: 789 76R-QD D 3.13 ambi=2 { CD:43.4 } ::sumAvg: 4.255 atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 4.28 atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } atom: 784 76R-HA A 4.61 ambi=1 { CA:55.5 } ::sumAvg: 4.28 atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } :: atom: 786 76R-HB3 B 1.93 ambi=2 { CB:32.7 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.62 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 785 76R-HB2 B 1.53 ambi=2 { CB:32.7 } :: atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 786 76R-HB3 B 1.93 ambi=2 { CB:32.7 } ::sumAvg: 4.62 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 797 77Q-H N 8.58 ambi=1 { N:121.9 } ::sumAvg: 2.94 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } :: atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } ::sumAvg: 4.58 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } ::sumAvg: 4.58 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 2.4 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 801 77Q-HG2 G 1.93 ambi=2 { CG:34.5 } :: atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 802 77Q-HG3 G 2.11 ambi=2 { CG:34.5 } ::sumAvg: 2.76 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 803 77Q-HE21 E2 7.21 ambi=1 { NE2:111.2 } ::sumAvg: 4.655 atom: 798 77Q-HA A 4.91 ambi=1 { CA:54.7 } atom: 815 78Y-QD D 6.71 ambi=3 { CD1:132.5 } ::sumAvg: 3.835 atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } ::sumAvg: 4.565 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 799 77Q-QB B 1.82 ambi=2 { CB:31.8 } ::sumAvg: 4.565 atom: 812 78Y-HA A 4.75 ambi=1 { CA:57 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } ::sumAvg: 2.925 atom: 813 78Y-HB2 B 2.5 ambi=2 { CB:41.4 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } :: atom: 814 78Y-HB3 B 2.59 ambi=2 { CB:41.4 } atom: 811 78Y-H N 8.89 ambi=1 { N:121.8 } ::sumAvg: 2.49 atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 2.97 atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } ::sumAvg: 2.97 atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 4.54 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } ::sumAvg: 4.855 atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } ::sumAvg: 2.465 atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 4.705 atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.92 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } ::sumAvg: 4.92 atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.945 atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } ::sumAvg: 4.905 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 2.935 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 827 79Y-H N 9.01 ambi=1 { N:122.5 } ::sumAvg: 2.44 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 2.475 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 2.475 atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 4.59 atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 828 79Y-HA A 5.41 ambi=1 { CA:57.3 } ::sumAvg: 4.48 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 833 79Y-QE E 6.46 ambi=3 { CE1:118.5 } ::sumAvg: 3.93 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } ::sumAvg: 2.905 atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.04 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 829 79Y-QB B 2.6 ambi=2 { CB:43.3 } ::sumAvg: 4.04 atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 843 80R-H N 8.72 ambi=1 { N:114.5 } ::sumAvg: 4.885 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } ::sumAvg: 4.375 atom: 860 81I-HA A 4.15 ambi=1 { CA:62.3 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.375 atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } :: atom: 848 80R-HG3 G 1.64 ambi=2 { CG:25.9 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 3.14 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } ::sumAvg: 4.275 atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.275 atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } :: atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 3.9 atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.895 atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } atom: 844 80R-HA A 5.12 ambi=1 { CA:53.2 } ::sumAvg: 4.895 atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } ::sumAvg: 3.435 atom: 845 80R-HB2 B 1.6 ambi=2 { CB:33.9 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } :: atom: 846 80R-HB3 B 1.89 ambi=2 { CB:33.9 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 3.225 atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } atom: 861 81I-HB B 1.7 ambi=1 { CB:37.8 } ::sumAvg: 4.865 atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } :: atom: 848 80R-HG3 G 1.64 ambi=2 { CG:25.9 } atom: 851 80R-HE E 7.35 ambi=1 { NE:86.3 } ::sumAvg: 2.965 atom: 847 80R-HG2 G 1.19 ambi=2 { CG:25.9 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } :: atom: 848 80R-HG3 G 1.64 ambi=2 { CG:25.9 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 3.475 atom: 849 80R-QD D 2.99 ambi=2 { CD:43.7 } atom: 859 81I-H N 9.3 ambi=1 { N:122.1 } ::sumAvg: 4.58 atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } ::sumAvg: 4.25 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.25 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.195 atom: 887 84E-HA A 4.12 ambi=1 { CA:58.9 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.275 atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 3.86 atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 4.415 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } ::sumAvg: 2.21 atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 2.37 atom: 864 81I-HG2 G2 0.9 ambi=1 { CG2:17.9 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.715 atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 4.56 atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 863 81I-HG13 G1 1.46 ambi=2 { CG1:28.9 } ::sumAvg: 4.56 atom: 862 81I-HG12 G1 1.16 ambi=2 { CG1:28.9 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.445 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 3.54 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } ::sumAvg: 4.58 atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } ::sumAvg: 4.58 atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } :: atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } ::sumAvg: 3.92 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } ::sumAvg: 3.92 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 875 82A-HB B 0.97 ambi=1 { CB:18.5 } ::sumAvg: 3.795 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.465 atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.245 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 865 81I-HD1 D1 0.75 ambi=1 { CD1:12.4 } ::sumAvg: 4.245 atom: 874 82A-HA A 3.93 ambi=1 { CA:54.2 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 2.815 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 873 82A-H N 7.93 ambi=1 { N:127.2 } ::sumAvg: 3.865 atom: 888 84E-HB2 B 2.04 ambi=2 { CB:29.4 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } :: atom: 889 84E-HB3 B 2.11 ambi=2 { CB:29.4 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.17 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 888 84E-HB2 B 2.04 ambi=2 { CB:29.4 } :: atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 889 84E-HB3 B 2.11 ambi=2 { CB:29.4 } ::sumAvg: 4.4 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 880 83G-H N 6.98 ambi=1 { N:101.8 } ::sumAvg: 4.875 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 888 84E-HB2 B 2.04 ambi=2 { CB:29.4 } :: atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 889 84E-HB3 B 2.11 ambi=2 { CB:29.4 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 888 84E-HB2 B 2.04 ambi=2 { CB:29.4 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 889 84E-HB3 B 2.11 ambi=2 { CB:29.4 } ::sumAvg: 4.63 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 4.71 atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } :: atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } ::sumAvg: 4.71 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 3.835 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.63 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } :: atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } ::sumAvg: 4.63 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 3.74 atom: 881 83G-HA2 A 4.09 ambi=2 { CA:45.2 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } :: atom: 882 83G-HA3 A 4.44 ambi=2 { CA:45.2 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.975 atom: 887 84E-HA A 4.12 ambi=1 { CA:58.9 } atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } ::sumAvg: 2.95 atom: 887 84E-HA A 4.12 ambi=1 { CA:58.9 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 4.535 atom: 887 84E-HA A 4.12 ambi=1 { CA:58.9 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.025 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 887 84E-HA A 4.12 ambi=1 { CA:58.9 } :: atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } atom: 887 84E-HA A 4.12 ambi=1 { CA:58.9 } ::sumAvg: 4.62 atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.485 atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } :: atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } ::sumAvg: 2.97 atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } ::sumAvg: 4.48 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } :: atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } ::sumAvg: 2.14 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 4.085 atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.085 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.11 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.11 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.63 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 4.99 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } ::sumAvg: 4.685 atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } ::sumAvg: 4.555 atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.88 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } ::sumAvg: 3.905 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } ::sumAvg: 3.56 atom: 890 84E-QG G 2.35 ambi=2 { CG:36 } atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } ::sumAvg: 3.58 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } ::sumAvg: 4.995 atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 2.33 atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 3.54 atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 4.78 atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } ::sumAvg: 4.78 atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.505 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } :: atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } ::sumAvg: 4.225 atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } ::sumAvg: 4.08 atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } ::sumAvg: 4.08 atom: 898 85D-HA A 4.31 ambi=1 { CA:57.1 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 4.305 atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.885 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 4.885 atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 2.875 atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 4.055 atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 4.055 atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.865 atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 925 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } ::sumAvg: 4.855 atom: 925 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } :: atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } atom: 899 85D-QB B 2.61 ambi=2 { CB:38.9 } ::sumAvg: 4.855 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 4.81 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 905 86V-H N 7.62 ambi=1 { N:121.6 } ::sumAvg: 4.295 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 2.58 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 3.025 atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 3.525 atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } ::sumAvg: 4.815 atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } ::sumAvg: 4.815 atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.54 atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } :: atom: 906 86V-HA A 3.48 ambi=1 { CA:66.8 } atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } ::sumAvg: 3.58 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.98 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.98 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 2.12 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 2.705 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } ::sumAvg: 4.245 atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.035 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 907 86V-HB B 2.2 ambi=1 { CB:31.3 } ::sumAvg: 4.035 atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 3.41 atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 3.655 atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } :: atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.335 atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } :: atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 3.895 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 908 86V-HG1 G1 1.17 ambi=2 { CG1:22 } :: atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 909 86V-HG2 G2 1 ambi=2 { CG2:23.6 } ::sumAvg: 3.895 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 916 87A-H N 7.52 ambi=1 { N:122.7 } ::sumAvg: 4.78 atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.925 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } ::sumAvg: 4.925 atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 4.29 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } ::sumAvg: 3.405 atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 4.77 atom: 917 87A-HA A 4.11 ambi=1 { CA:55.8 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.235 atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.58 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } ::sumAvg: 4.725 atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.725 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 4.465 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.705 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.705 atom: 918 87A-HB B 1.59 ambi=1 { CB:17.6 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.7 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.365 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 923 88R-H N 8.38 ambi=1 { N:119.2 } ::sumAvg: 4.69 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } :: atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } ::sumAvg: 2.91 atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } ::sumAvg: 4.735 atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 3.5 atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } atom: 951 90F-H N 8.89 ambi=1 { N:119.4 } ::sumAvg: 4.64 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } ::sumAvg: 2.54 atom: 924 88R-HA A 4.09 ambi=1 { CA:59.6 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 3.865 atom: 925 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } :: atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } atom: 940 89L-HA A 4.04 ambi=1 { CA:58.3 } ::sumAvg: 4.415 atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } ::sumAvg: 4.32 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } ::sumAvg: 4.32 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } ::sumAvg: 2.4 atom: 925 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } :: atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } ::sumAvg: 3.33 atom: 925 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } :: atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 2.975 atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.37 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } ::sumAvg: 4.37 atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 926 88R-HB3 B 2.08 ambi=2 { CB:30.5 } ::sumAvg: 4.39 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } :: atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } atom: 931 88R-HE E 7.56 ambi=1 { NE:84.4 } ::sumAvg: 3.035 atom: 927 88R-HG2 G 1.63 ambi=2 { CG:28.5 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } :: atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 4.645 atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.425 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 928 88R-HG3 G 1.95 ambi=2 { CG:28.5 } ::sumAvg: 4.425 atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.79 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 929 88R-QD D 3.26 ambi=2 { CD:43.6 } ::sumAvg: 4.79 atom: 941 89L-QB B 1.55 ambi=2 { CB:41.3 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 2.22 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 939 89L-H N 8.48 ambi=1 { N:123.3 } ::sumAvg: 4.97 atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } :: atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 3.845 atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } :: atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } ::sumAvg: 3.845 atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } :: atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.51 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } :: atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } ::sumAvg: 4.51 atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } :: atom: 943 89L-HD1 D1 0.84 ambi=2 { CD1:24.7 } atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } :: atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } :: atom: 944 89L-HD2 D2 0.89 ambi=2 { CD2:27 } atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } ::sumAvg: 4.06 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 2.49 atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 4.62 atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 4.79 atom: 992 93V-HB B 2.12 ambi=1 { CB:31.2 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 4.47 atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } :: atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } ::sumAvg: 2.495 atom: 952 90F-HA A 4.38 ambi=1 { CA:59.4 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.215 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 957 90F-QE E 7.25 ambi=3 { CE1:131.1 } ::sumAvg: 4.375 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } ::sumAvg: 4.355 atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } :: atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } ::sumAvg: 4.355 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.065 atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 953 90F-HB2 B 3.07 ambi=2 { CB:38.6 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 954 90F-HB3 B 3.19 ambi=2 { CB:38.6 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } ::sumAvg: 4.43 atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 3.945 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 4.17 atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } :: atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } atom: 955 90F-QD D 7.13 ambi=3 { CD1:131 } ::sumAvg: 4.86 atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } :: atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } atom: 969 91A-H N 7.92 ambi=1 { N:120.5 } ::sumAvg: 4.925 atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 3.54 atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } ::sumAvg: 4.685 atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.335 atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 1018 95V-HG1 G1 0.96 ambi=2 { CG1:21 } :: atom: 970 91A-HA A 3.94 ambi=1 { CA:55.1 } atom: 1019 95V-HG2 G2 1.08 ambi=2 { CG2:22.6 } ::sumAvg: 4.015 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 2.565 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } ::sumAvg: 3.795 atom: 981 92L-HD1 D1 0.97 ambi=2 { CD1:22.8 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } :: atom: 982 92L-HD2 D2 0.89 ambi=2 { CD2:25.8 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.975 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.655 atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } :: atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 4.965 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } :: atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } ::sumAvg: 4.815 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.69 atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } atom: 1018 95V-HG1 G1 0.96 ambi=2 { CG1:21 } ::sumAvg: 3.51 atom: 1018 95V-HG1 G1 0.96 ambi=2 { CG1:21 } atom: 971 91A-HB B 1.46 ambi=1 { CB:18 } ::sumAvg: 3.51 atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } atom: 976 92L-H N 8.19 ambi=1 { N:120.2 } ::sumAvg: 4.45 atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } :: atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } ::sumAvg: 2.495 atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } ::sumAvg: 2.85 atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } ::sumAvg: 2.85 atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } atom: 990 93V-H N 8.89 ambi=1 { N:117.1 } ::sumAvg: 3.57 atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } ::sumAvg: 4.78 atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } ::sumAvg: 4.78 atom: 977 92L-HA A 4.3 ambi=1 { CA:57.5 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.41 atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } :: atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } ::sumAvg: 4.23 atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 992 93V-HB B 2.12 ambi=1 { CB:31.2 } ::sumAvg: 4.885 atom: 992 93V-HB B 2.12 ambi=1 { CB:31.2 } atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } ::sumAvg: 4.885 atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } :: atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } atom: 993 93V-HG1 G1 1.09 ambi=2 { CG1:22.5 } :: atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } ::sumAvg: 3.865 atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } :: atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 4.82 atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } :: atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } atom: 978 92L-HB2 B 1.67 ambi=2 { CB:42.1 } :: atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } :: atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } atom: 979 92L-HB3 B 1.82 ambi=2 { CB:42.1 } ::sumAvg: 4.82 atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } ::sumAvg: 4.445 atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } atom: 1017 95V-HB B 2.37 ambi=1 { CB:31.9 } ::sumAvg: 4.56 atom: 1017 95V-HB B 2.37 ambi=1 { CB:31.9 } atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } ::sumAvg: 4.56 atom: 980 92L-HG G 1.54 ambi=1 { CG:27.4 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } ::sumAvg: 4.89 atom: 981 92L-HD1 D1 0.97 ambi=2 { CD1:22.8 } atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } :: atom: 982 92L-HD2 D2 0.89 ambi=2 { CD2:25.8 } atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } ::sumAvg: 3.825 atom: 981 92L-HD1 D1 0.97 ambi=2 { CD1:22.8 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } :: atom: 982 92L-HD2 D2 0.89 ambi=2 { CD2:25.8 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } ::sumAvg: 3.955 atom: 981 92L-HD1 D1 0.97 ambi=2 { CD1:22.8 } atom: 1028 96V-HB B 2.09 ambi=1 { CB:32.2 } :: atom: 982 92L-HD2 D2 0.89 ambi=2 { CD2:25.8 } atom: 1028 96V-HB B 2.09 ambi=1 { CB:32.2 } ::sumAvg: 4.715 atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 3.535 atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.445 atom: 991 93V-HA A 3.81 ambi=1 { CA:66 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.9 atom: 992 93V-HB B 2.12 ambi=1 { CB:31.2 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 992 93V-HB B 2.12 ambi=1 { CB:31.2 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 4.93 atom: 994 93V-HG2 G2 0.98 ambi=2 { CG2:23.2 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 3.905 atom: 1017 95V-HB B 2.37 ambi=1 { CB:31.9 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.805 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1001 94Q-H N 6.92 ambi=1 { N:117.8 } ::sumAvg: 4.95 atom: 1002 94Q-HA A 3.79 ambi=1 { CA:60 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } ::sumAvg: 4.555 atom: 1002 94Q-HA A 3.79 ambi=1 { CA:60 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1002 94Q-HA A 3.79 ambi=1 { CA:60 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } ::sumAvg: 4.985 atom: 1005 94Q-HG2 G 1.63 ambi=2 { CG:35.9 } atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } ::sumAvg: 2.42 atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } :: atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } :: atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } atom: 1007 94Q-HE21 E2 5.37 ambi=2 { NE2:111.3 } :: atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } atom: 1008 94Q-HE22 E2 6.38 ambi=2 { NE2:111.3 } ::sumAvg: 2.92 atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } :: atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 3.305 atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } :: atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } ::sumAvg: 4.495 atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } :: atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.925 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1003 94Q-HB2 B 2 ambi=2 { CB:30.3 } :: atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1004 94Q-HB3 B 2.1 ambi=2 { CB:30.3 } ::sumAvg: 4.925 atom: 1006 94Q-HG3 G 2.12 ambi=2 { CG:35.9 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.425 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1006 94Q-HG3 G 2.12 ambi=2 { CG:35.9 } ::sumAvg: 4.425 atom: 1005 94Q-HG2 G 1.63 ambi=2 { CG:35.9 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1005 94Q-HG2 G 1.63 ambi=2 { CG:35.9 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } :: atom: 1006 94Q-HG3 G 2.12 ambi=2 { CG:35.9 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1006 94Q-HG3 G 2.12 ambi=2 { CG:35.9 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } ::sumAvg: 4.88 atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } atom: 1005 94Q-HG2 G 1.63 ambi=2 { CG:35.9 } :: atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } atom: 1005 94Q-HG2 G 1.63 ambi=2 { CG:35.9 } :: atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } atom: 1006 94Q-HG3 G 2.12 ambi=2 { CG:35.9 } :: atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } atom: 1006 94Q-HG3 G 2.12 ambi=2 { CG:35.9 } ::sumAvg: 4.88 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1015 95V-H N 7.42 ambi=1 { N:121.5 } ::sumAvg: 4.96 atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } ::sumAvg: 3.555 atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } ::sumAvg: 4.45 atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.98 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } ::sumAvg: 4.98 atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } :: atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } ::sumAvg: 4.99 atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } :: atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } atom: 1016 95V-HA A 3.76 ambi=1 { CA:66.6 } ::sumAvg: 4.99 atom: 1027 96V-HA A 3.81 ambi=1 { CA:66.1 } atom: 1017 95V-HB B 2.37 ambi=1 { CB:31.9 } ::sumAvg: 4.395 atom: 1018 95V-HG1 G1 0.96 ambi=2 { CG1:21 } atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } :: atom: 1019 95V-HG2 G2 1.08 ambi=2 { CG2:22.6 } atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } ::sumAvg: 4.99 atom: 1018 95V-HG1 G1 0.96 ambi=2 { CG1:21 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1018 95V-HG1 G1 0.96 ambi=2 { CG1:21 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } :: atom: 1019 95V-HG2 G2 1.08 ambi=2 { CG2:22.6 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1019 95V-HG2 G2 1.08 ambi=2 { CG2:22.6 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } ::sumAvg: 4.22 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1026 96V-H N 8.34 ambi=1 { N:120 } ::sumAvg: 4.455 atom: 1027 96V-HA A 3.81 ambi=1 { CA:66.1 } atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } :: atom: 1027 96V-HA A 3.81 ambi=1 { CA:66.1 } atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } ::sumAvg: 4.66 atom: 1027 96V-HA A 3.81 ambi=1 { CA:66.1 } atom: 1063 100H-H N 7.98 ambi=1 { N:114 } ::sumAvg: 4.495 atom: 1028 96V-HB B 2.09 ambi=1 { CB:32.2 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 4.64 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1028 96V-HB B 2.09 ambi=1 { CB:32.2 } ::sumAvg: 4.64 atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } atom: 1029 96V-HG1 G1 0.84 ambi=2 { CG1:21.5 } :: atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } :: atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } atom: 1030 96V-HG2 G2 0.99 ambi=2 { CG2:23.6 } ::sumAvg: 4.465 atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } :: atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } atom: 1037 97A-H N 8.14 ambi=1 { N:121.4 } ::sumAvg: 4.81 atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } ::sumAvg: 2.125 atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } atom: 1063 100H-H N 7.98 ambi=1 { N:114 } ::sumAvg: 4.355 atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } :: atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } ::sumAvg: 4.98 atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } :: atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } ::sumAvg: 4.98 atom: 1038 97A-HA A 4.01 ambi=1 { CA:54.9 } atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } ::sumAvg: 4.865 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1045 98D-HA A 4.32 ambi=1 { CA:57.1 } ::sumAvg: 3.805 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } ::sumAvg: 3.99 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1052 99E-H N 8.22 ambi=1 { N:116.6 } ::sumAvg: 4.825 atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1078 101L-HD1 D1 0.87 ambi=2 { CD1:26.3 } :: atom: 1039 97A-HB B 1.46 ambi=1 { CB:19.9 } atom: 1079 101L-HD2 D2 0.8 ambi=2 { CD2:22.8 } ::sumAvg: 3.525 atom: 1045 98D-HA A 4.32 ambi=1 { CA:57.1 } atom: 1077 101L-HG G 1.67 ambi=1 { CG:27.3 } ::sumAvg: 4.61 atom: 1045 98D-HA A 4.32 ambi=1 { CA:57.1 } atom: 1078 101L-HD1 D1 0.87 ambi=2 { CD1:26.3 } :: atom: 1045 98D-HA A 4.32 ambi=1 { CA:57.1 } atom: 1079 101L-HD2 D2 0.8 ambi=2 { CD2:22.8 } ::sumAvg: 3.605 atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } :: atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.31 atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } ::sumAvg: 4.31 atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } :: atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } :: atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } :: atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } ::sumAvg: 4.56 atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } atom: 1046 98D-HB2 B 2.73 ambi=2 { CB:41.8 } :: atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } :: atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } atom: 1047 98D-HB3 B 2.82 ambi=2 { CB:41.8 } ::sumAvg: 4.56 atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } :: atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 2.615 atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } atom: 1063 100H-H N 7.98 ambi=1 { N:114 } ::sumAvg: 3.515 atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } ::sumAvg: 4.7 atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } ::sumAvg: 4.7 atom: 1053 99E-HA A 4 ambi=1 { CA:58.3 } atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } ::sumAvg: 4.17 atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } atom: 1057 99E-HG3 G 2.23 ambi=2 { CG:35.4 } ::sumAvg: 2.38 atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } :: atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } ::sumAvg: 4.51 atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1054 99E-HB2 B 1.77 ambi=2 { CB:29.8 } :: atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1055 99E-HB3 B 2 ambi=2 { CB:29.8 } ::sumAvg: 4.51 atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1063 100H-H N 7.98 ambi=1 { N:114 } ::sumAvg: 2.9 atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } :: atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } ::sumAvg: 2.655 atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1067 100H-HD2 D2 7.16 ambi=1 { CD2:121.1 } ::sumAvg: 3.84 atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } ::sumAvg: 3.415 atom: 1064 100H-HA A 4.6 ambi=1 { CA:57.5 } atom: 1087 102E-H N 8.1 ambi=1 { N:119.1 } ::sumAvg: 4.99 atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } atom: 1067 100H-HD2 D2 7.16 ambi=1 { CD2:121.1 } :: atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } atom: 1067 100H-HD2 D2 7.16 ambi=1 { CD2:121.1 } ::sumAvg: 3.2 atom: 1074 101L-HA A 4.37 ambi=1 { CA:55.9 } atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } :: atom: 1074 101L-HA A 4.37 ambi=1 { CA:55.9 } atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } ::sumAvg: 4.74 atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } atom: 1078 101L-HD1 D1 0.87 ambi=2 { CD1:26.3 } :: atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } atom: 1079 101L-HD2 D2 0.8 ambi=2 { CD2:22.8 } :: atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } atom: 1078 101L-HD1 D1 0.87 ambi=2 { CD1:26.3 } :: atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } atom: 1079 101L-HD2 D2 0.8 ambi=2 { CD2:22.8 } ::sumAvg: 4.92 atom: 1078 101L-HD1 D1 0.87 ambi=2 { CD1:26.3 } atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } :: atom: 1079 101L-HD2 D2 0.8 ambi=2 { CD2:22.8 } atom: 1065 100H-HB2 B 3.14 ambi=2 { CB:30.8 } :: atom: 1078 101L-HD1 D1 0.87 ambi=2 { CD1:26.3 } atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } :: atom: 1079 101L-HD2 D2 0.8 ambi=2 { CD2:22.8 } atom: 1066 100H-HB3 B 3.42 ambi=2 { CB:30.8 } ::sumAvg: 4.92 atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } atom: 1073 101L-H N 7.92 ambi=1 { N:118.5 } ::sumAvg: 4.955 atom: 1074 101L-HA A 4.37 ambi=1 { CA:55.9 } atom: 1077 101L-HG G 1.67 ambi=1 { CG:27.3 } ::sumAvg: 3.395 atom: 1074 101L-HA A 4.37 ambi=1 { CA:55.9 } atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } ::sumAvg: 4.8 atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } atom: 1074 101L-HA A 4.37 ambi=1 { CA:55.9 } ::sumAvg: 4.8 atom: 1075 101L-HB2 B 1.4 ambi=2 { CB:42.1 } atom: 1088 102E-HA A 4.16 ambi=1 { CA:57 } :: atom: 1076 101L-HB3 B 1.99 ambi=2 { CB:42.1 } atom: 1088 102E-HA A 4.16 ambi=1 { CA:57 } ::sumAvg: 4.95 atom: 1075 101L-HB2 B 1.4 ambi=2 { CB:42.1 } atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } ::sumAvg: 4.94 atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } atom: 1075 101L-HB2 B 1.4 ambi=2 { CB:42.1 } ::sumAvg: 4.94 atom: 1077 101L-HG G 1.67 ambi=1 { CG:27.3 } atom: 1087 102E-H N 8.1 ambi=1 { N:119.1 } ::sumAvg: 4.705 atom: 1088 102E-HA A 4.16 ambi=1 { CA:57 } atom: 1100 103H-QB B 3.03 ambi=2 { CB:29.7 } ::sumAvg: 4.835 atom: 1100 103H-QB B 3.03 ambi=2 { CB:29.7 } atom: 1088 102E-HA A 4.16 ambi=1 { CA:57 } ::sumAvg: 4.835 atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } atom: 1098 103H-H N 8.01 ambi=1 { N:117.3 } ::sumAvg: 2.905 atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } atom: 1099 103H-HA A 4.52 ambi=1 { CA:56.1 } ::sumAvg: 4.46 atom: 1099 103H-HA A 4.52 ambi=1 { CA:56.1 } atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } ::sumAvg: 4.46 atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } atom: 1100 103H-QB B 3.03 ambi=2 { CB:29.7 } ::sumAvg: 4.485 atom: 1100 103H-QB B 3.03 ambi=2 { CB:29.7 } atom: 1089 102E-QB B 1.94 ambi=2 { CB:29.9 } ::sumAvg: 4.485 atom: 1091 102E-QG G 2.14 ambi=2 { CG:35.9 } atom: 1098 103H-H N 8.01 ambi=1 { N:117.3 } ::sumAvg: 3.705 atom: 1099 103H-HA A 4.52 ambi=1 { CA:56.1 } atom: 1098 103H-H N 8.01 ambi=1 { N:117.3 } ::sumAvg: 2.61 atom: 1099 103H-HA A 4.52 ambi=1 { CA:56.1 } atom: 1100 103H-QB B 3.03 ambi=2 { CB:29.7 } ::sumAvg: 2.445 atom: 1105 107H-HA A 4.56 ambi=1 { CA:55.9 } atom: 1106 107H-HB2 B 3.03 ambi=2 { CB:30.2 } :: atom: 1105 107H-HA A 4.56 ambi=1 { CA:55.9 } atom: 1107 107H-HB3 B 3.17 ambi=2 { CB:30.2 } ::sumAvg: 2.585 atom: 1105 107H-HA A 4.56 ambi=1 { CA:55.9 } atom: 1113 108H-QB B 3.04 ambi=2 { CB:30.4 } ::sumAvg: 4.66 atom: 1112 108H-HA A 4.41 ambi=1 { CA:57.3 } atom: 1113 108H-QB B 3.04 ambi=2 { CB:30.4 } ::sumAvg: 2.385