# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for c.peaks atom: 2 1S-HB2 B 4 ambi=2 { CB:63.1 } atom: 7 2S-H N 8.82 ambi=1 { N:116.8 } :: atom: 3 1S-HB3 B 4.03 ambi=2 { CB:63.1 } atom: 7 2S-H N 8.82 ambi=1 { N:116.8 } ::sumAvg: 3.185 atom: 2 1S-HB2 B 4 ambi=2 { CB:63.1 } atom: 8 2S-HA A 4.53 ambi=1 { CA:58.6 } :: atom: 3 1S-HB3 B 4.03 ambi=2 { CB:63.1 } atom: 8 2S-HA A 4.53 ambi=1 { CA:58.6 } ::sumAvg: 4.85 atom: 8 2S-HA A 4.53 ambi=1 { CA:58.6 } atom: 2 1S-HB2 B 4 ambi=2 { CB:63.1 } :: atom: 8 2S-HA A 4.53 ambi=1 { CA:58.6 } atom: 3 1S-HB3 B 4.03 ambi=2 { CB:63.1 } ::sumAvg: 4.85 atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } atom: 7 2S-H N 8.82 ambi=1 { N:116.8 } ::sumAvg: 4.955 atom: 9 2S-HB2 B 3.85 ambi=2 { CB:63.7 } atom: 15 3Q-H N 8.55 ambi=1 { N:122.6 } :: atom: 10 2S-HB3 B 3.88 ambi=2 { CB:63.7 } atom: 15 3Q-H N 8.55 ambi=1 { N:122.6 } ::sumAvg: 3.18 atom: 9 2S-HB2 B 3.85 ambi=2 { CB:63.7 } atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } :: atom: 10 2S-HB3 B 3.88 ambi=2 { CB:63.7 } atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } ::sumAvg: 4.84 atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } atom: 9 2S-HB2 B 3.85 ambi=2 { CB:63.7 } :: atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } atom: 10 2S-HB3 B 3.88 ambi=2 { CB:63.7 } ::sumAvg: 4.84 atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } atom: 15 3Q-H N 8.55 ambi=1 { N:122.6 } ::sumAvg: 2.595 atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } ::sumAvg: 4.87 atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } ::sumAvg: 4.87 atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } :: atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } :: atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } :: atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } ::sumAvg: 3.81 atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } atom: 30 4T-H N 8.22 ambi=1 { N:115.1 } :: atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } atom: 30 4T-H N 8.22 ambi=1 { N:115.1 } ::sumAvg: 3.065 atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } atom: 31 4T-HA A 4.29 ambi=1 { CA:61.9 } :: atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } atom: 31 4T-HA A 4.29 ambi=1 { CA:61.9 } ::sumAvg: 4.745 atom: 31 4T-HA A 4.29 ambi=1 { CA:61.9 } atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } :: atom: 31 4T-HA A 4.29 ambi=1 { CA:61.9 } atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } ::sumAvg: 4.745 atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } :: atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } ::sumAvg: 4.47 atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } :: atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } ::sumAvg: 4.47 atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } atom: 39 5L-H N 8.19 ambi=1 { N:123.8 } :: atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } atom: 39 5L-H N 8.19 ambi=1 { N:123.8 } ::sumAvg: 4.61 atom: 19 3Q-HG2 G 2.34 ambi=2 { CG:34 } atom: 30 4T-H N 8.22 ambi=1 { N:115.1 } :: atom: 20 3Q-HG3 G 2.36 ambi=2 { CG:34 } atom: 30 4T-H N 8.22 ambi=1 { N:115.1 } ::sumAvg: 3.98 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 3.82 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 3.82 atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 4.53 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 4.54 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 4.54 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.395 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 4.395 atom: 377 34R-HG2 G 1.44 ambi=2 { CG:27.5 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } :: atom: 378 34R-HG3 G 1.55 ambi=2 { CG:27.5 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 3.16 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 381 34R-HE E 7.2 ambi=1 { NE:84.5 } ::sumAvg: 4.19 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.29 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 3.17 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 3.17 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 3.85 atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 3.715 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.8 atom: 32 4T-HB B 4.19 ambi=1 { CB:69.4 } atom: 39 5L-H N 8.19 ambi=1 { N:123.8 } ::sumAvg: 3.255 atom: 40 5L-HA A 4.33 ambi=1 { CA:55.3 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } ::sumAvg: 4.465 atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 41 5L-HB2 B 1.55 ambi=2 { CB:42.5 } :: atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 42 5L-HB3 B 1.64 ambi=2 { CB:42.5 } ::sumAvg: 4.925 atom: 41 5L-HB2 B 1.55 ambi=2 { CB:42.5 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } :: atom: 42 5L-HB3 B 1.64 ambi=2 { CB:42.5 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } ::sumAvg: 4.925 atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 43 5L-HG G 1.62 ambi=1 { CG:27 } ::sumAvg: 4.91 atom: 43 5L-HG G 1.62 ambi=1 { CG:27 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } ::sumAvg: 4.91 atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 53 6D-H N 8.16 ambi=1 { N:120.4 } ::sumAvg: 4.635 atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } :: atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } ::sumAvg: 4.98 atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } :: atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } atom: 33 4T-HG2 G2 1.15 ambi=1 { CG2:21.7 } ::sumAvg: 4.98 atom: 41 5L-HB2 B 1.55 ambi=2 { CB:42.5 } atom: 54 6D-HA A 4.67 ambi=1 { CA:53.6 } :: atom: 42 5L-HB3 B 1.64 ambi=2 { CB:42.5 } atom: 54 6D-HA A 4.67 ambi=1 { CA:53.6 } ::sumAvg: 4.775 atom: 43 5L-HG G 1.62 ambi=1 { CG:27 } atom: 53 6D-H N 8.16 ambi=1 { N:120.4 } ::sumAvg: 4.16 atom: 44 5L-HD1 D1 0.85 ambi=2 { CD1:25.1 } atom: 54 6D-HA A 4.67 ambi=1 { CA:53.6 } :: atom: 45 5L-HD2 D2 0.81 ambi=2 { CD2:23.4 } atom: 54 6D-HA A 4.67 ambi=1 { CA:53.6 } ::sumAvg: 4.27 atom: 54 6D-HA A 4.67 ambi=1 { CA:53.6 } atom: 44 5L-HD1 D1 0.85 ambi=2 { CD1:25.1 } :: atom: 54 6D-HA A 4.67 ambi=1 { CA:53.6 } atom: 45 5L-HD2 D2 0.81 ambi=2 { CD2:23.4 } ::sumAvg: 4.27 atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 53 6D-H N 8.16 ambi=1 { N:120.4 } ::sumAvg: 4.925 atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } :: atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } ::sumAvg: 4.82 atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } :: atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } ::sumAvg: 4.82 atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } :: atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } :: atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } :: atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } ::sumAvg: 4.63 atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } :: atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } :: atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } :: atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } ::sumAvg: 4.63 atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } :: atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } ::sumAvg: 4.97 atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } ::sumAvg: 2.6 atom: 67 7R-HD2 D 3.07 ambi=2 { CD:43 } atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } :: atom: 68 7R-HD3 D 3.1 ambi=2 { CD:43 } atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } ::sumAvg: 4.89 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } ::sumAvg: 4.95 atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 67 7R-HD2 D 3.07 ambi=2 { CD:43 } :: atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 68 7R-HD3 D 3.1 ambi=2 { CD:43 } ::sumAvg: 4.48 atom: 67 7R-HD2 D 3.07 ambi=2 { CD:43 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } :: atom: 68 7R-HD3 D 3.1 ambi=2 { CD:43 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } ::sumAvg: 4.48 atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 3.735 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } ::sumAvg: 3.735 atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } atom: 449 40Y-HE1 E1 6.77 ambi=3 { CE1:118.1 } ::sumAvg: 4.87 atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } atom: 69 7R-HE E 7.18 ambi=1 { NE:83.9 } :: atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } atom: 69 7R-HE E 7.18 ambi=1 { NE:83.9 } ::sumAvg: 3.525 atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } :: atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } ::sumAvg: 3.17 atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } :: atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } ::sumAvg: 4.485 atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } :: atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } ::sumAvg: 4.485 atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } :: atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 4.44 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } :: atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } ::sumAvg: 4.44 atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } :: atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 4.27 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 63 7R-HB2 B 1.68 ambi=2 { CB:31 } :: atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 64 7R-HB3 B 1.75 ambi=2 { CB:31 } ::sumAvg: 4.92 atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } atom: 69 7R-HE E 7.18 ambi=1 { NE:83.9 } :: atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } atom: 69 7R-HE E 7.18 ambi=1 { NE:83.9 } ::sumAvg: 3.04 atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } :: atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } ::sumAvg: 4.065 atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } :: atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } ::sumAvg: 4.735 atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } :: atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 4.29 atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } atom: 448 40Y-HD1 D1 6.96 ambi=3 { CD1:133 } :: atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } atom: 448 40Y-HD1 D1 6.96 ambi=3 { CD1:133 } ::sumAvg: 4.775 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } ::sumAvg: 3.115 atom: 85 9P-HA A 4.33 ambi=1 { CA:63.5 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } ::sumAvg: 4.98 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 78 8D-H N 9.29 ambi=1 { N:121 } ::sumAvg: 4.105 atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 4.465 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } ::sumAvg: 4.465 atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.55 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } ::sumAvg: 2.94 atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } ::sumAvg: 4.155 atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } ::sumAvg: 4.155 atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 4.84 atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } ::sumAvg: 4.84 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 3.955 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } :: atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } ::sumAvg: 3.955 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } :: atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } ::sumAvg: 4.35 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 407 36K-HD2 D 1.55 ambi=2 { CD:29.3 } :: atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 408 36K-HD3 D 1.61 ambi=2 { CD:29.3 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 407 36K-HD2 D 1.55 ambi=2 { CD:29.3 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 408 36K-HD3 D 1.61 ambi=2 { CD:29.3 } ::sumAvg: 4.27 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } ::sumAvg: 4.29 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } :: atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } ::sumAvg: 4.29 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } ::sumAvg: 4.05 atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } :: atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } ::sumAvg: 4.05 atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 80 8D-HB2 B 2.91 ambi=2 { CB:39.4 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 81 8D-HB3 B 3.06 ambi=2 { CB:39.4 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 4.8 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 85 9P-HA A 4.33 ambi=1 { CA:63.5 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 85 9P-HA A 4.33 ambi=1 { CA:63.5 } ::sumAvg: 3.415 atom: 85 9P-HA A 4.33 ambi=1 { CA:63.5 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 85 9P-HA A 4.33 ambi=1 { CA:63.5 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 3.77 atom: 85 9P-HA A 4.33 ambi=1 { CA:63.5 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.425 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 85 9P-HA A 4.33 ambi=1 { CA:63.5 } ::sumAvg: 4.425 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } :: atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } ::sumAvg: 3.025 atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } :: atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 2.965 atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } :: atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.305 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } :: atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } ::sumAvg: 4.305 atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } :: atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.94 atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } ::sumAvg: 4.93 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } ::sumAvg: 4.93 atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.665 atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } :: atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.775 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.685 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.825 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.685 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 4.685 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.655 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 4.655 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 4.95 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 4.94 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 4.94 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } ::sumAvg: 3.57 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 3.57 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 4.275 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 4.19 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 4.19 atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 3.27 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 3.915 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 3.855 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.38 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } ::sumAvg: 4.38 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.815 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 4.815 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 4.44 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 3.33 atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } :: atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 4.845 atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 4.845 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 4.1 atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 3.795 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 4.235 atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 3.825 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.83 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.75 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 4.375 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.375 atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } :: atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.37 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.93 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } :: atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } ::sumAvg: 4.435 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.435 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 4.735 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.565 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.565 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.93 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } :: atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } ::sumAvg: 4.38 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.38 atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } :: atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 3.745 atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.235 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.235 atom: 99 10T-HB B 3.98 ambi=1 { CB:69.2 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.235 atom: 99 10T-HB B 3.98 ambi=1 { CB:69.2 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 4.915 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 99 10T-HB B 3.98 ambi=1 { CB:69.2 } ::sumAvg: 4.915 atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } ::sumAvg: 4.46 atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } ::sumAvg: 4.46 atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 4.21 atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.025 atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } ::sumAvg: 4.92 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } ::sumAvg: 4.92 atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } ::sumAvg: 4.72 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } ::sumAvg: 4.72 atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } ::sumAvg: 4.455 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } ::sumAvg: 4.455 atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } ::sumAvg: 4.14 atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } ::sumAvg: 4.14 atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 3.695 atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 3.25 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 2.935 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.765 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.115 atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.795 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 3.33 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 3.66 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 2.815 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } ::sumAvg: 4.59 atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 4.59 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } ::sumAvg: 4.875 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 4.875 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 4.86 atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 3.85 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 3.85 atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } :: atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } ::sumAvg: 3.405 atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } :: atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 4.69 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } ::sumAvg: 4.69 atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 3.48 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } ::sumAvg: 3.48 atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } :: atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 3.59 atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } :: atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.97 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } ::sumAvg: 4.97 atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 3.26 atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } :: atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } ::sumAvg: 4.85 atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } atom: 108 11L-HB2 B 1.28 ambi=2 { CB:44 } :: atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } ::sumAvg: 4.85 atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 109 11L-HB3 B 1.55 ambi=2 { CB:44 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 3.14 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } ::sumAvg: 4.12 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } ::sumAvg: 4.1 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.595 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 3.835 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 3.525 atom: 110 11L-HG G 1.54 ambi=1 { CG:26.8 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 4.795 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 4.265 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.55 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.37 atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } :: atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } ::sumAvg: 4.12 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 4.48 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } :: atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } ::sumAvg: 4.48 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 2.965 atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } :: atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } ::sumAvg: 4.825 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } ::sumAvg: 4.88 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } ::sumAvg: 4.25 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } ::sumAvg: 3.04 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } ::sumAvg: 4.48 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 4.48 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } ::sumAvg: 3.725 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 3.725 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } ::sumAvg: 4.31 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.5 atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } :: atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 4.5 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } ::sumAvg: 4.505 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 4.035 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 4.035 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } ::sumAvg: 4.485 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 4.485 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 377 34R-HG2 G 1.44 ambi=2 { CG:27.5 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 378 34R-HG3 G 1.55 ambi=2 { CG:27.5 } ::sumAvg: 3.745 atom: 377 34R-HG2 G 1.44 ambi=2 { CG:27.5 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } :: atom: 378 34R-HG3 G 1.55 ambi=2 { CG:27.5 } atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } ::sumAvg: 3.745 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 3.6 atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 121 12T-HA A 4.95 ambi=1 { CA:62.3 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.21 atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 4.31 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } ::sumAvg: 4.895 atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } ::sumAvg: 4.79 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 3.805 atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 4.845 atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } ::sumAvg: 4.475 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 4.475 atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } ::sumAvg: 4.615 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 4.29 atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 2.375 atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 4.78 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 4.325 atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } ::sumAvg: 3.78 atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } :: atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } ::sumAvg: 4.58 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 4.58 atom: 378 34R-HG3 G 1.55 ambi=2 { CG:27.5 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 3.855 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 2.945 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 2.49 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 2.745 atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 4.975 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 4.875 atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } :: atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 3.775 atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 4.865 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 2.715 atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 3.66 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 4.055 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 4.585 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } :: atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } ::sumAvg: 2.51 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } ::sumAvg: 3.17 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } ::sumAvg: 3.17 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } ::sumAvg: 2.03 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } ::sumAvg: 2.285 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } :: atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } ::sumAvg: 4.605 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.81 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } ::sumAvg: 4.72 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 4.215 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } ::sumAvg: 4.215 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.985 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } ::sumAvg: 4.735 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.96 atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 4.93 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } ::sumAvg: 4.84 atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } :: atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } ::sumAvg: 4.84 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 4.705 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } ::sumAvg: 2.47 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.345 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } :: atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } ::sumAvg: 4.345 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } ::sumAvg: 4.07 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 2.895 atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.635 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } :: atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } ::sumAvg: 4.635 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 4.69 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } ::sumAvg: 4.69 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 4.525 atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 4.27 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 4.105 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } ::sumAvg: 4.105 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 4.96 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } ::sumAvg: 3.345 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } ::sumAvg: 4.945 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.985 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 3.98 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 3.865 atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } :: atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } ::sumAvg: 4.475 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } ::sumAvg: 4.06 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } ::sumAvg: 4.315 atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } atom: 354 32S-H N 7.83 ambi=1 { N:111.4 } ::sumAvg: 4.745 atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 3.235 atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } :: atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } ::sumAvg: 3.235 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } ::sumAvg: 4.285 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } ::sumAvg: 4.71 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } ::sumAvg: 4.91 atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } :: atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } ::sumAvg: 3.415 atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } :: atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 4.6 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } :: atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } ::sumAvg: 4.6 atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } :: atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } ::sumAvg: 4.44 atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } :: atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } ::sumAvg: 4.44 atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } :: atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.325 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } :: atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } ::sumAvg: 4.325 atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } :: atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 4.51 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 2.9 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.475 atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.115 atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.24 atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } :: atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 3.935 atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } :: atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.905 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 2.68 atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } :: atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.43 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.29 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } ::sumAvg: 2.415 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 2.415 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 2.675 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 2.675 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 2.585 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 2.165 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } ::sumAvg: 3.855 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 3.855 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } ::sumAvg: 3.62 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } ::sumAvg: 4.585 atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } :: atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 4.585 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 4.445 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 3.955 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 3.955 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.615 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 4.615 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 2.465 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 3.285 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.66 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 4.66 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.735 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 3.84 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 3.84 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.8 atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } ::sumAvg: 4.39 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 4.39 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 4.135 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } ::sumAvg: 4.765 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } ::sumAvg: 3.795 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } ::sumAvg: 4.56 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 3.49 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } ::sumAvg: 4.79 atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } :: atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } ::sumAvg: 4.79 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } :: atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } ::sumAvg: 4.825 atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } :: atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } :: atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } ::sumAvg: 4.825 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } ::sumAvg: 4.455 atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } ::sumAvg: 4.455 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 3.005 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 3.42 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } :: atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } ::sumAvg: 3.42 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } ::sumAvg: 4.175 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 3.215 atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 3.385 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } ::sumAvg: 3.385 atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 153 15L-HB2 B 1.34 ambi=2 { CB:44.9 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 154 15L-HB3 B 1.83 ambi=2 { CB:44.9 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } ::sumAvg: 4.2 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 2.99 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } ::sumAvg: 4.475 atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 4.475 atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 3.725 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 3.23 atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } :: atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 3.23 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 4.46 atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } :: atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 4.46 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 3.725 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 3.725 atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.095 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 3.925 atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 4.49 atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 4.135 atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 4.405 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 4.865 atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 3.03 atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } ::sumAvg: 3.305 atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } :: atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } ::sumAvg: 4.25 atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 4.815 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 4.815 atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.695 atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } :: atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.05 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 4.5 atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } atom: 156 15L-HD1 D1 0.77 ambi=2 { CD1:24.8 } :: atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } :: atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } atom: 157 15L-HD2 D2 0.75 ambi=2 { CD2:26.6 } ::sumAvg: 4.95 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 3.905 atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } :: atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 4.805 atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } :: atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 3.67 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 4.345 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 4.255 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } ::sumAvg: 3.635 atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } :: atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } ::sumAvg: 4.005 atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.725 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } ::sumAvg: 4.725 atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 166 16I-HA A 4.45 ambi=1 { CA:58.8 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.6 atom: 167 16I-HB B 1.79 ambi=1 { CB:40.7 } atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } ::sumAvg: 4.685 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 167 16I-HB B 1.79 ambi=1 { CB:40.7 } ::sumAvg: 4.685 atom: 167 16I-HB B 1.79 ambi=1 { CB:40.7 } atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } ::sumAvg: 4.155 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 167 16I-HB B 1.79 ambi=1 { CB:40.7 } ::sumAvg: 4.155 atom: 167 16I-HB B 1.79 ambi=1 { CB:40.7 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.855 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 167 16I-HB B 1.79 ambi=1 { CB:40.7 } ::sumAvg: 4.855 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } ::sumAvg: 2.315 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } ::sumAvg: 3.74 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } ::sumAvg: 4.315 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } ::sumAvg: 4.315 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 4.445 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } ::sumAvg: 4.56 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } ::sumAvg: 4.115 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } ::sumAvg: 4.56 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.855 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.815 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 2.735 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 3.63 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 3.825 atom: 168 16I-HG12 G1 1.13 ambi=2 { CG1:26.5 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 169 16I-HG13 G1 1.18 ambi=2 { CG1:26.5 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.78 atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.57 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 170 16I-HG2 G2 0.67 ambi=1 { CG2:17.7 } ::sumAvg: 4.57 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } ::sumAvg: 4.275 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } ::sumAvg: 4.31 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 4.31 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } ::sumAvg: 4.435 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 4.435 atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 4.785 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } :: atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } ::sumAvg: 3.965 atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 3.965 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } :: atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } ::sumAvg: 3.875 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 4.57 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.025 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 4.025 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 3.59 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 3.54 atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.095 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } ::sumAvg: 2.88 atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } ::sumAvg: 4.15 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } ::sumAvg: 4.31 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } ::sumAvg: 2.125 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 2.17 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } ::sumAvg: 4.515 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } ::sumAvg: 4.515 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } ::sumAvg: 3.82 atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } ::sumAvg: 3.82 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 3.345 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.56 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } ::sumAvg: 4.56 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.73 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 3.03 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 2.38 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 3.505 atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } :: atom: 180 17A-HA A 4.78 ambi=1 { CA:50.5 } atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } ::sumAvg: 4.69 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } ::sumAvg: 4.545 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } ::sumAvg: 3.16 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } ::sumAvg: 4.16 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } ::sumAvg: 4.16 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 3.375 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } ::sumAvg: 4.565 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } ::sumAvg: 4.055 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } ::sumAvg: 4.605 atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } ::sumAvg: 4.605 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.57 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.93 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 4.075 atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } ::sumAvg: 4.075 atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } ::sumAvg: 4.335 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 2.89 atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 4.715 atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 4.9 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 4.705 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 3.53 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 4.845 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 4.995 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 3.735 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } :: atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } ::sumAvg: 3.125 atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } ::sumAvg: 3.125 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } :: atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } ::sumAvg: 4.555 atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } :: atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } ::sumAvg: 4.555 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 4.97 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } ::sumAvg: 4.97 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 4.21 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.11 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } ::sumAvg: 4.11 atom: 187 18K-HA A 4.53 ambi=1 { CA:54.6 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.16 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } ::sumAvg: 2.435 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } :: atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } ::sumAvg: 4.365 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 4.135 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } ::sumAvg: 4.135 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.525 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } ::sumAvg: 4.525 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 2.62 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 2.7 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.7 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 3.85 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.895 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.555 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.675 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } :: atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } ::sumAvg: 4.505 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } ::sumAvg: 4.505 atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } :: atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.29 atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } ::sumAvg: 4.87 atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } ::sumAvg: 4.87 atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 4.31 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } ::sumAvg: 4.31 atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 4.73 atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.46 atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } :: atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.415 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } ::sumAvg: 4.415 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } ::sumAvg: 4.945 atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } ::sumAvg: 4.135 atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 3.115 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } :: atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } ::sumAvg: 3.115 atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 3.475 atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.22 atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } :: atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.03 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } ::sumAvg: 4.03 atom: 194 18K-HE2 E 2.25 ambi=2 { CE:41.3 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 195 18K-HE3 E 2.45 ambi=2 { CE:41.3 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.33 atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } ::sumAvg: 4.825 atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } ::sumAvg: 4.95 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } ::sumAvg: 3.195 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } ::sumAvg: 4.925 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } ::sumAvg: 4.07 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } ::sumAvg: 4.84 atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 4.36 atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 4.495 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 3.215 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 4.515 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 4.515 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 3.415 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 3.285 atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 4.61 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 4.61 atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } :: atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 3.955 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 4.915 atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 4.475 atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } :: atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 3.765 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 3.015 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 3.75 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 3.765 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 4.53 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } ::sumAvg: 4.385 atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } ::sumAvg: 4.385 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } :: atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } ::sumAvg: 4.515 atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } ::sumAvg: 4.515 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 4.635 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } ::sumAvg: 4.635 atom: 236 22A-HA A 4.1 ambi=1 { CA:53.7 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } ::sumAvg: 4.625 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.22 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } ::sumAvg: 4.99 atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } ::sumAvg: 4.43 atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 3.42 atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } ::sumAvg: 3.42 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.545 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } ::sumAvg: 4.42 atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.42 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } :: atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } ::sumAvg: 4.36 atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } :: atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.36 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } ::sumAvg: 4.505 atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.505 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.685 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.685 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } :: atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } ::sumAvg: 4.04 atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } :: atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.04 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } ::sumAvg: 4.725 atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 4.725 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.465 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 4.465 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } ::sumAvg: 4.215 atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 4.215 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.845 atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 4.845 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } ::sumAvg: 3.385 atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } ::sumAvg: 3.675 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 223 21P-HA A 4.29 ambi=1 { CA:63.1 } ::sumAvg: 3.675 atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 3.635 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } :: atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } ::sumAvg: 3.635 atom: 236 22A-HA A 4.1 ambi=1 { CA:53.7 } atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } :: atom: 236 22A-HA A 4.1 ambi=1 { CA:53.7 } atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } ::sumAvg: 4.85 atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } ::sumAvg: 4.42 atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } ::sumAvg: 4.04 atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } :: atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } ::sumAvg: 4.595 atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } :: atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } ::sumAvg: 4.595 atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 3.79 atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} :: atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.375 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 3.16 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 235 22A-H N 8.5 ambi=1 { N:124.6 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 235 22A-H N 8.5 ambi=1 { N:124.6 } ::sumAvg: 4.64 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.39 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.675 atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } :: atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 4.26 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } ::sumAvg: 4.91 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 4.91 atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 3.68 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } ::sumAvg: 4.94 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } ::sumAvg: 3.59 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } ::sumAvg: 4.67 atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 4.67 atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.405 atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 3.485 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 3.485 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.835 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.85 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } :: atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } ::sumAvg: 4.195 atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 4.195 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.88 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 3.01 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 3.885 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 3.885 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } ::sumAvg: 4.9 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } ::sumAvg: 3.585 atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } ::sumAvg: 3.585 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } ::sumAvg: 4.71 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } ::sumAvg: 4.78 atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.22 atom: 236 22A-HA A 4.1 ambi=1 { CA:53.7 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 3.54 atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } ::sumAvg: 4.245 atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } ::sumAvg: 4.245 atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } ::sumAvg: 4.42 atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } :: atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } ::sumAvg: 4.43 atom: 237 22A-HB B 1.36 ambi=1 { CB:18.7 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.345 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } ::sumAvg: 4.745 atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.525 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } ::sumAvg: 4.525 atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } :: atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } ::sumAvg: 3.145 atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 3.2 atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } ::sumAvg: 3.645 atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.32 atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } :: atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } ::sumAvg: 4.32 atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 4.8 atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } :: atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } :: atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } ::sumAvg: 4.8 atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 3.415 atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.725 atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } :: atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } ::sumAvg: 4.725 atom: 244 23N-HB2 B 2.82 ambi=2 { CB:37.8 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } :: atom: 245 23N-HB3 B 2.89 ambi=2 { CB:37.8 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } ::sumAvg: 3.715 atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } :: atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.27 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.245 atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 3.025 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 4.555 atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.545 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 4.765 atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.96 atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 4.595 atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 4.605 atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } ::sumAvg: 2.475 atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 4.325 atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 4.655 atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 4.225 atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.805 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } ::sumAvg: 4.85 atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } :: atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } ::sumAvg: 4.74 atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } ::sumAvg: 4.625 atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } ::sumAvg: 4.865 atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } ::sumAvg: 4.865 atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } :: atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } ::sumAvg: 3.595 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } ::sumAvg: 4.395 atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.67 atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } :: atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } ::sumAvg: 4.36 atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } atom: 1036 92H-HA A 4.52 ambi=1 { CA:55.6 } :: atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } atom: 1036 92H-HA A 4.52 ambi=1 { CA:55.6 } ::sumAvg: 3.725 atom: 1036 92H-HA A 4.52 ambi=1 { CA:55.6 } atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } :: atom: 1036 92H-HA A 4.52 ambi=1 { CA:55.6 } atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } ::sumAvg: 3.725 atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } :: atom: 265 25M-HB2 B 1.76 ambi=2 { CB:36.3 } atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } :: atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } :: atom: 266 25M-HB3 B 1.78 ambi=2 { CB:36.3 } atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } ::sumAvg: 3.895 atom: 267 25M-HG2 G 2.27 ambi=2 { CG:31.2 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } :: atom: 268 25M-HG3 G 2.29 ambi=2 { CG:31.2 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 4.27 atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 267 25M-HG2 G 2.27 ambi=2 { CG:31.2 } :: atom: 278 26I-HB B 1.81 ambi=1 { CB:38.6 } atom: 268 25M-HG3 G 2.29 ambi=2 { CG:31.2 } ::sumAvg: 4.86 atom: 267 25M-HG2 G 2.27 ambi=2 { CG:31.2 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 268 25M-HG3 G 2.29 ambi=2 { CG:31.2 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } ::sumAvg: 4.045 atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } atom: 276 26I-H N 8.83 ambi=1 { N:124.3 } ::sumAvg: 4.85 atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } ::sumAvg: 4.205 atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } ::sumAvg: 4.785 atom: 1036 92H-HA A 4.52 ambi=1 { CA:55.6 } atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } ::sumAvg: 3.745 atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } :: atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } ::sumAvg: 4.645 atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } :: atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } ::sumAvg: 4.645 atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } atom: 276 26I-H N 8.83 ambi=1 { N:124.3 } ::sumAvg: 2.915 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 276 26I-H N 8.83 ambi=1 { N:124.3 } ::sumAvg: 3.795 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } ::sumAvg: 4.37 atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } ::sumAvg: 4.505 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } ::sumAvg: 4.505 atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } :: atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 4.5 atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } :: atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } ::sumAvg: 4.36 atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } :: atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 2.54 atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } :: atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } ::sumAvg: 3.99 atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } :: atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.16 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 291 27M-HA A 4.64 ambi=1 { CA:54.6 } ::sumAvg: 3.98 atom: 291 27M-HA A 4.64 ambi=1 { CA:54.6 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 3.98 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 312 29K-H N 8.62 ambi=1 { N:126.3 } ::sumAvg: 4.605 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } ::sumAvg: 3.945 atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 3.945 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 329 30L-H N 8.58 ambi=1 { N:127.9 } ::sumAvg: 4.12 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } ::sumAvg: 4.74 atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 4.74 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } ::sumAvg: 4.975 atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 4.975 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } ::sumAvg: 3.65 atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 3.65 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.535 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 3.495 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } ::sumAvg: 4.1 atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 4.1 atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 2.905 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } ::sumAvg: 2.845 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 3.53 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 4.63 atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.075 atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 4.63 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 2.895 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } ::sumAvg: 4.335 atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } ::sumAvg: 4.25 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.165 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.81 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } :: atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } ::sumAvg: 4.81 atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } ::sumAvg: 2.33 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } :: atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } ::sumAvg: 4.39 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } :: atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.76 atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } :: atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } ::sumAvg: 4.76 atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } ::sumAvg: 4.365 atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } ::sumAvg: 4.365 atom: 291 27M-HA A 4.64 ambi=1 { CA:54.6 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 2.89 atom: 294 27M-HG2 G 2.28 ambi=2 { CG:31.8 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 3.455 atom: 296 27M-HE E 1.95 ambi=1 { CE:15.8 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 4.485 atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 4.985 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 3.505 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 2.735 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.51 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.74 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.74 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.59 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.28 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.075 atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.075 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 4.935 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.72 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 4.49 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 3.54 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.805 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 4.805 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 3.25 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 3.25 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 3.775 atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 3.775 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 3.81 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 3.51 atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } ::sumAvg: 4.17 atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 4.17 atom: 294 27M-HG2 G 2.28 ambi=2 { CG:31.8 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 4.095 atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 3.815 atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } :: atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } ::sumAvg: 3.815 atom: 294 27M-HG2 G 2.28 ambi=2 { CG:31.8 } atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } :: atom: 294 27M-HG2 G 2.28 ambi=2 { CG:31.8 } atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } ::sumAvg: 4.2 atom: 294 27M-HG2 G 2.28 ambi=2 { CG:31.8 } atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } ::sumAvg: 4.965 atom: 294 27M-HG2 G 2.28 ambi=2 { CG:31.8 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 295 27M-HG3 G 2.56 ambi=2 { CG:31.8 } atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } ::sumAvg: 4.105 atom: 296 27M-HE E 1.95 ambi=1 { CE:15.8 } atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } :: atom: 296 27M-HE E 1.95 ambi=1 { CE:15.8 } atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } ::sumAvg: 4.04 atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 4.46 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 4.565 atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 4.285 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 3.14 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 4.645 atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } ::sumAvg: 4.845 atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.685 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } ::sumAvg: 4.545 atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } atom: 312 29K-H N 8.62 ambi=1 { N:126.3 } ::sumAvg: 3.3 atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } :: atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } ::sumAvg: 4.235 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } ::sumAvg: 4.235 atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } :: atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } ::sumAvg: 4.24 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 305 28T-HB B 3.73 ambi=1 { CB:71.9 } ::sumAvg: 4.24 atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } ::sumAvg: 4.74 atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } ::sumAvg: 4.95 atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } ::sumAvg: 4.95 atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 4.645 atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } :: atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } ::sumAvg: 4.645 atom: 968 86T-HB B 3.74 ambi=1 { CB:69.6 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } ::sumAvg: 4.85 atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } ::sumAvg: 4.61 atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 3.55 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } ::sumAvg: 3.625 atom: 318 29K-HD2 D 1.63 ambi=2 { CD:29 } atom: 312 29K-H N 8.62 ambi=1 { N:126.3 } :: atom: 319 29K-HD3 D 1.69 ambi=2 { CD:29 } atom: 312 29K-H N 8.62 ambi=1 { N:126.3 } ::sumAvg: 4.505 atom: 318 29K-HD2 D 1.63 ambi=2 { CD:29 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } :: atom: 319 29K-HD3 D 1.69 ambi=2 { CD:29 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } ::sumAvg: 4.32 atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } :: atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } ::sumAvg: 4.31 atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } ::sumAvg: 4.68 atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 3.88 atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } :: atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } atom: 313 29K-HA A 4.12 ambi=1 { CA:56.4 } ::sumAvg: 3.88 atom: 314 29K-HB2 B 1.73 ambi=2 { CB:32.3 } atom: 320 29K-HE2 E 2.98 ambi=2 { CE:42.2 } :: atom: 314 29K-HB2 B 1.73 ambi=2 { CB:32.3 } atom: 321 29K-HE3 E 3 ambi=2 { CE:42.2 } :: atom: 315 29K-HB3 B 1.76 ambi=2 { CB:32.3 } atom: 320 29K-HE2 E 2.98 ambi=2 { CE:42.2 } :: atom: 315 29K-HB3 B 1.76 ambi=2 { CB:32.3 } atom: 321 29K-HE3 E 3 ambi=2 { CE:42.2 } ::sumAvg: 4.285 atom: 320 29K-HE2 E 2.98 ambi=2 { CE:42.2 } atom: 314 29K-HB2 B 1.73 ambi=2 { CB:32.3 } :: atom: 321 29K-HE3 E 3 ambi=2 { CE:42.2 } atom: 314 29K-HB2 B 1.73 ambi=2 { CB:32.3 } :: atom: 320 29K-HE2 E 2.98 ambi=2 { CE:42.2 } atom: 315 29K-HB3 B 1.76 ambi=2 { CB:32.3 } :: atom: 321 29K-HE3 E 3 ambi=2 { CE:42.2 } atom: 315 29K-HB3 B 1.76 ambi=2 { CB:32.3 } ::sumAvg: 4.285 atom: 314 29K-HB2 B 1.73 ambi=2 { CB:32.3 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } :: atom: 315 29K-HB3 B 1.76 ambi=2 { CB:32.3 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } ::sumAvg: 4.985 atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } atom: 329 30L-H N 8.58 ambi=1 { N:127.9 } :: atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } atom: 329 30L-H N 8.58 ambi=1 { N:127.9 } ::sumAvg: 4.405 atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } ::sumAvg: 2.785 atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } :: atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } ::sumAvg: 4.84 atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } :: atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } ::sumAvg: 4.18 atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } :: atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } atom: 330 30L-HA A 4.4 ambi=1 { CA:52.8 } ::sumAvg: 4.18 atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } ::sumAvg: 2.455 atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } :: atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 3.285 atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 4.295 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 333 30L-HG G 1.75 ambi=1 { CG:27.2 } ::sumAvg: 4.585 atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } :: atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.64 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 4.64 atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } :: atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.41 atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } :: atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } ::sumAvg: 3.42 atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } :: atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } ::sumAvg: 3.42 atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 3.77 atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.725 atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } :: atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } atom: 342 31P-HA A 4.6 ambi=1 { CA:62.4 } ::sumAvg: 4.725 atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } :: atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } ::sumAvg: 2.34 atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } :: atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } ::sumAvg: 2.34 atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } :: atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 4.265 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } :: atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } ::sumAvg: 4.265 atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } :: atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.9 atom: 343 31P-HB2 B 2.19 ambi=2 { CB:32.3 } atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } :: atom: 344 31P-HB3 B 2.23 ambi=2 { CB:32.3 } atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } ::sumAvg: 4.905 atom: 345 31P-HG2 G 1.68 ambi=2 { CG:26.4 } atom: 354 32S-H N 7.83 ambi=1 { N:111.4 } :: atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } atom: 354 32S-H N 7.83 ambi=1 { N:111.4 } ::sumAvg: 4.195 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 346 31P-HG3 G 2.07 ambi=2 { CG:26.4 } ::sumAvg: 4.455 atom: 957 85V-HB B 1.87 ambi=1 { CB:35.3 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 957 85V-HB B 1.87 ambi=1 { CB:35.3 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 4.175 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 364 33V-HB B 1.67 ambi=1 { CB:35 } ::sumAvg: 4.97 atom: 364 33V-HB B 1.67 ambi=1 { CB:35 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 4.97 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 3.645 atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.865 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 4.865 atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } :: atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } ::sumAvg: 4.695 atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.695 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.38 atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } ::sumAvg: 2.93 atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } ::sumAvg: 4.94 atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } ::sumAvg: 4.38 atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } ::sumAvg: 4.38 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } ::sumAvg: 4.47 atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.765 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } ::sumAvg: 4.72 atom: 364 33V-HB B 1.67 ambi=1 { CB:35 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } ::sumAvg: 3.405 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 364 33V-HB B 1.67 ambi=1 { CB:35 } ::sumAvg: 3.63 atom: 364 33V-HB B 1.67 ambi=1 { CB:35 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } ::sumAvg: 4.605 atom: 364 33V-HB B 1.67 ambi=1 { CB:35 } atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } :: atom: 364 33V-HB B 1.67 ambi=1 { CB:35 } atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } ::sumAvg: 3.095 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.565 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 4.73 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } ::sumAvg: 3.74 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 3.905 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 2.015 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.135 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.435 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 4.435 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } ::sumAvg: 4.18 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } ::sumAvg: 4.22 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.815 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 4.815 atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } :: atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 4.97 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } ::sumAvg: 4.82 atom: 377 34R-HG2 G 1.44 ambi=2 { CG:27.5 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } :: atom: 378 34R-HG3 G 1.55 ambi=2 { CG:27.5 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } ::sumAvg: 3.685 atom: 379 34R-HD2 D 3.09 ambi=2 { CD:43.3 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } :: atom: 380 34R-HD3 D 3.11 ambi=2 { CD:43.3 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } ::sumAvg: 4.745 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } ::sumAvg: 3.76 atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } :: atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } ::sumAvg: 3.885 atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } :: atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } ::sumAvg: 3.555 atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } atom: 379 34R-HD2 D 3.09 ambi=2 { CD:43.3 } :: atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } atom: 380 34R-HD3 D 3.11 ambi=2 { CD:43.3 } ::sumAvg: 4.435 atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } atom: 381 34R-HE E 7.2 ambi=1 { NE:84.5 } ::sumAvg: 4.81 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.58 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 381 34R-HE E 7.2 ambi=1 { NE:84.5 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 381 34R-HE E 7.2 ambi=1 { NE:84.5 } ::sumAvg: 3.605 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 3.635 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.905 atom: 375 34R-HB2 B 1.68 ambi=2 { CB:32.3 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } :: atom: 376 34R-HB3 B 1.71 ambi=2 { CB:32.3 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } ::sumAvg: 4.72 atom: 377 34R-HG2 G 1.44 ambi=2 { CG:27.5 } atom: 381 34R-HE E 7.2 ambi=1 { NE:84.5 } :: atom: 378 34R-HG3 G 1.55 ambi=2 { CG:27.5 } atom: 381 34R-HE E 7.2 ambi=1 { NE:84.5 } ::sumAvg: 2.77 atom: 377 34R-HG2 G 1.44 ambi=2 { CG:27.5 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } :: atom: 378 34R-HG3 G 1.55 ambi=2 { CG:27.5 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 3.83 atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 2.935 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 4.86 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 3.87 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 3.87 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.27 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.895 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.895 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.67 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } ::sumAvg: 4.435 atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.435 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } ::sumAvg: 4.575 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.575 atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 2.955 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.165 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.935 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 4.655 atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 4.895 atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } atom: 449 40Y-HE1 E1 6.77 ambi=3 { CE1:118.1 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 449 40Y-HE1 E1 6.77 ambi=3 { CE1:118.1 } ::sumAvg: 4.675 atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 3.215 atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } ::sumAvg: 4.795 atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 3.515 atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } :: atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } ::sumAvg: 3.515 atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 4.56 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } ::sumAvg: 4.56 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 2.915 atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } :: atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 3.77 atom: 407 36K-HD2 D 1.55 ambi=2 { CD:29.3 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } :: atom: 408 36K-HD3 D 1.61 ambi=2 { CD:29.3 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.995 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.615 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.835 atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.935 atom: 887 79E-HG2 G 2.03 ambi=2 { CG:36.2 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } :: atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.52 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } ::sumAvg: 2.455 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } ::sumAvg: 2.53 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 407 36K-HD2 D 1.55 ambi=2 { CD:29.3 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 408 36K-HD3 D 1.61 ambi=2 { CD:29.3 } ::sumAvg: 4.39 atom: 407 36K-HD2 D 1.55 ambi=2 { CD:29.3 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } :: atom: 408 36K-HD3 D 1.61 ambi=2 { CD:29.3 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.39 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } ::sumAvg: 4.76 atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } :: atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.76 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 2.175 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 4.38 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.38 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 3.46 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 3.46 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.51 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.51 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 4.83 atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.83 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.58 atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.735 atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.735 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } :: atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } ::sumAvg: 3.205 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 3.66 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 4.655 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } :: atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } ::sumAvg: 4.655 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.935 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } :: atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } ::sumAvg: 4.935 atom: 403 36K-HB2 B 1.6 ambi=2 { CB:34.5 } atom: 884 79E-HA A 4.43 ambi=1 { CA:56.6 } :: atom: 404 36K-HB3 B 1.79 ambi=2 { CB:34.5 } atom: 884 79E-HA A 4.43 ambi=1 { CA:56.6 } ::sumAvg: 4.66 atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 3.545 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } ::sumAvg: 3.73 atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } :: atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.435 atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } :: atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.145 atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } ::sumAvg: 4.145 atom: 407 36K-HD2 D 1.55 ambi=2 { CD:29.3 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 407 36K-HD2 D 1.55 ambi=2 { CD:29.3 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } :: atom: 408 36K-HD3 D 1.61 ambi=2 { CD:29.3 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 408 36K-HD3 D 1.61 ambi=2 { CD:29.3 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 3.44 atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } :: atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 3.945 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } :: atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } ::sumAvg: 3.945 atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } :: atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.51 atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 409 36K-HE2 E 2.86 ambi=2 { CE:42 } :: atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 410 36K-HE3 E 2.89 ambi=2 { CE:42 } ::sumAvg: 4.51 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 2.935 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 3.82 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.855 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.435 atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 3.98 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } ::sumAvg: 4.425 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 4.425 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } :: atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 4.4 atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } :: atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 4.4 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } ::sumAvg: 4.95 atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 4.95 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 3.765 atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 3.765 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } ::sumAvg: 4.835 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 4.835 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 3.775 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 873 78V-HA A 4.14 ambi=1 { CA:63 } ::sumAvg: 4.71 atom: 873 78V-HA A 4.14 ambi=1 { CA:63 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 4.71 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 3.46 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } ::sumAvg: 3.46 atom: 419 37T-HA A 5.36 ambi=1 { CA:60.6 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.195 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.545 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } :: atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 4.985 atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } :: atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.985 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } ::sumAvg: 4.945 atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.945 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 4.25 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.25 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 4.925 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.925 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 4.06 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.06 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.885 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.885 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 4.16 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.16 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } ::sumAvg: 4.19 atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } :: atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } ::sumAvg: 4.735 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.735 atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 420 37T-HB B 4 ambi=1 { CB:72.3 } ::sumAvg: 4.185 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.515 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.455 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.415 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } ::sumAvg: 4.005 atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.005 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } ::sumAvg: 3.575 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 3.575 atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 2.485 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.71 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.71 atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.43 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 2.935 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 4.835 atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 4.96 atom: 842 76K-HA A 4.58 ambi=1 { CA:54.4 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 4.76 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 4.99 atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } :: atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 4.82 atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 3.55 atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } ::sumAvg: 2.84 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } :: atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 2.455 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } ::sumAvg: 2.57 atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } ::sumAvg: 2.57 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 2.14 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } ::sumAvg: 4.365 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } ::sumAvg: 4.365 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.2 atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 3.805 atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } ::sumAvg: 3.805 atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } :: atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 3.655 atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } :: atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 4.625 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } :: atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } ::sumAvg: 4.625 atom: 429 38E-HB2 B 1.76 ambi=2 { CB:33 } atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } :: atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } :: atom: 430 38E-HB3 B 1.91 ambi=2 { CB:33 } atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } ::sumAvg: 4.025 atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 3.84 atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } :: atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } :: atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } ::sumAvg: 4.795 atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } :: atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } ::sumAvg: 4.795 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 4.805 atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 4.04 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 4.87 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } :: atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } ::sumAvg: 4.435 atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } :: atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 4.435 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } ::sumAvg: 4.36 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } ::sumAvg: 4.36 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 448 40Y-HD1 D1 6.96 ambi=3 { CD1:133 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 448 40Y-HD1 D1 6.96 ambi=3 { CD1:133 } ::sumAvg: 4.925 atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 2.905 atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 3.545 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 3.545 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 3.155 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } ::sumAvg: 2.91 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } ::sumAvg: 4.85 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } ::sumAvg: 4.705 atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } ::sumAvg: 4.3 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } ::sumAvg: 3.89 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } ::sumAvg: 3.19 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 446 40Y-HB2 B 2.76 ambi=2 { CB:40.8 } :: atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 447 40Y-HB3 B 2.96 ambi=2 { CB:40.8 } ::sumAvg: 2.445 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 448 40Y-HD1 D1 6.96 ambi=3 { CD1:133 } ::sumAvg: 2.865 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 449 40Y-HE1 E1 6.77 ambi=3 { CE1:118.1 } ::sumAvg: 4.855 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 2.285 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 4.51 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } ::sumAvg: 4.51 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.73 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 4.36 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } ::sumAvg: 4.36 atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 3.905 atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } ::sumAvg: 4.725 atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } ::sumAvg: 4.725 atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 3.695 atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } :: atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } ::sumAvg: 4.945 atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } ::sumAvg: 4.945 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } ::sumAvg: 2.47 atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } ::sumAvg: 3.555 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } ::sumAvg: 4.54 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 515 46V-HB B 2.22 ambi=1 { CB:31.5 } ::sumAvg: 4.03 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 448 40Y-HD1 D1 6.96 ambi=3 { CD1:133 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 448 40Y-HD1 D1 6.96 ambi=3 { CD1:133 } ::sumAvg: 4.16 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 2.91 atom: 467 42P-HA A 4.41 ambi=1 { CA:63.5 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 4.865 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 3.37 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 3.945 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 3.675 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } :: atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } ::sumAvg: 4.3 atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } :: atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } ::sumAvg: 4.3 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } ::sumAvg: 3.74 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } ::sumAvg: 4.415 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } ::sumAvg: 3.665 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } ::sumAvg: 3.665 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 3.58 atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } ::sumAvg: 3.58 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.735 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } ::sumAvg: 3.65 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } ::sumAvg: 3.65 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.275 atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 2.915 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 3.765 atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 3.765 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } ::sumAvg: 4.265 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } ::sumAvg: 3.525 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } ::sumAvg: 3.015 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 3.015 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 3.53 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 3.995 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 3.995 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.585 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 4.585 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 4.78 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.225 atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } :: atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 3.615 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 3.615 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.115 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.48 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.455 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.41 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.565 atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 4.15 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 3.57 atom: 467 42P-HA A 4.41 ambi=1 { CA:63.5 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 467 42P-HA A 4.41 ambi=1 { CA:63.5 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 3.69 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 467 42P-HA A 4.41 ambi=1 { CA:63.5 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 467 42P-HA A 4.41 ambi=1 { CA:63.5 } ::sumAvg: 3.69 atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } :: atom: 469 42P-HB3 B 2.17 ambi=2 { CB:32.1 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 3.065 atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } :: atom: 469 42P-HB3 B 2.17 ambi=2 { CB:32.1 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } ::sumAvg: 3.165 atom: 480 43S-HA A 4.45 ambi=1 { CA:58.4 } atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } :: atom: 480 43S-HA A 4.45 ambi=1 { CA:58.4 } atom: 469 42P-HB3 B 2.17 ambi=2 { CB:32.1 } ::sumAvg: 4.505 atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } :: atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } :: atom: 469 42P-HB3 B 2.17 ambi=2 { CB:32.1 } atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } :: atom: 469 42P-HB3 B 2.17 ambi=2 { CB:32.1 } atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } ::sumAvg: 4.57 atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } :: atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } atom: 468 42P-HB2 B 2.04 ambi=2 { CB:32.1 } :: atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } atom: 469 42P-HB3 B 2.17 ambi=2 { CB:32.1 } :: atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } atom: 469 42P-HB3 B 2.17 ambi=2 { CB:32.1 } ::sumAvg: 4.57 atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } :: atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } :: atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } :: atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } ::sumAvg: 4.315 atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } :: atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } :: atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } :: atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } ::sumAvg: 4.315 atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } :: atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } ::sumAvg: 4.8 atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } :: atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 4.335 atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } :: atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } ::sumAvg: 4.695 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } :: atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } ::sumAvg: 4.695 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } ::sumAvg: 4.295 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 4.39 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 3.95 atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 3.95 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } ::sumAvg: 3.73 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 3.73 atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } :: atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 4 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 4 atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } ::sumAvg: 4.625 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } ::sumAvg: 4.41 atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } ::sumAvg: 3.42 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } ::sumAvg: 3.38 atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } atom: 480 43S-HA A 4.45 ambi=1 { CA:58.4 } ::sumAvg: 4.87 atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 480 43S-HA A 4.45 ambi=1 { CA:58.4 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 480 43S-HA A 4.45 ambi=1 { CA:58.4 } ::sumAvg: 4.975 atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 481 43S-HB2 B 3.8 ambi=2 { CB:63.7 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } :: atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 482 43S-HB3 B 3.85 ambi=2 { CB:63.7 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 4.39 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } ::sumAvg: 2.4 atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } ::sumAvg: 4.37 atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 4.69 atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 488 44I-HA A 3.81 ambi=1 { CA:61.4 } ::sumAvg: 4.69 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.495 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 4.21 atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 4.985 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 489 44I-HB B 1.69 ambi=1 { CB:38.8 } ::sumAvg: 4.985 atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 2.275 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 2.275 atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } ::sumAvg: 4.705 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 4.93 atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } ::sumAvg: 4.53 atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 4.53 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 4.16 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 490 44I-HG12 G1 1.02 ambi=2 { CG1:27.1 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 491 44I-HG13 G1 1.37 ambi=2 { CG1:27.1 } ::sumAvg: 4.025 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } ::sumAvg: 3.825 atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 3.825 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 4.52 atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.52 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } :: atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } ::sumAvg: 4.585 atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.585 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.51 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.51 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.915 atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 3.735 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } ::sumAvg: 4.405 atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.405 atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 3.675 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 3.675 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.46 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } ::sumAvg: 4.475 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.67 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } ::sumAvg: 3.48 atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } ::sumAvg: 3.48 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } ::sumAvg: 4.05 atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } ::sumAvg: 4.05 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 4.125 atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 4.915 atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } ::sumAvg: 3.92 atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } :: atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } ::sumAvg: 4.85 atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } ::sumAvg: 4.4 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } ::sumAvg: 4.56 atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } ::sumAvg: 4.465 atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } ::sumAvg: 4.465 atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } :: atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 506 45N-HD22 D2 7.58 ambi=2 { ND2:111.8 } ::sumAvg: 4.31 atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 3.96 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } ::sumAvg: 3.96 atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } ::sumAvg: 3.465 atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.215 atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } :: atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } ::sumAvg: 4.785 atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } ::sumAvg: 4.785 atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 514 46V-HA A 3.7 ambi=1 { CA:64.8 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 4.785 atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.475 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 4.475 atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } ::sumAvg: 3.24 atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 3.02 atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } :: atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 3.3 atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } ::sumAvg: 4.5 atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } :: atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } ::sumAvg: 4.735 atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 4.735 atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } ::sumAvg: 4.9 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } ::sumAvg: 4.35 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } ::sumAvg: 3.375 atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 3.375 atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.775 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } :: atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } ::sumAvg: 4.99 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.54 atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } :: atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } ::sumAvg: 4.465 atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 3.605 atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.37 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 4.815 atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 4.64 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 2.55 atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 3.66 atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 566 50F-HE1 E1 7.12 ambi=3 { CE1:130.7 } ::sumAvg: 4.805 atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } ::sumAvg: 2.765 atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.055 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } ::sumAvg: 4.055 atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } ::sumAvg: 4.98 atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } ::sumAvg: 4.63 atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } ::sumAvg: 2.225 atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } :: atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } ::sumAvg: 4.4 atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 3.415 atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } ::sumAvg: 4.29 atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } atom: 567 50F-HZ Z 7.14 ambi=1 { CZ:129.5 } ::sumAvg: 4.82 atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 3.31 atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 537 48E-HA A 4.4 ambi=1 { CA:55.2 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 537 48E-HA A 4.4 ambi=1 { CA:55.2 } ::sumAvg: 4.39 atom: 537 48E-HA A 4.4 ambi=1 { CA:55.2 } atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } :: atom: 537 48E-HA A 4.4 ambi=1 { CA:55.2 } atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } ::sumAvg: 4.39 atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } :: atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } ::sumAvg: 4.91 atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } :: atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } :: atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } :: atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } ::sumAvg: 4.91 atom: 526 47N-HB2 B 2.82 ambi=2 { CB:38.4 } atom: 567 50F-HZ Z 7.14 ambi=1 { CZ:129.5 } :: atom: 527 47N-HB3 B 2.86 ambi=2 { CB:38.4 } atom: 567 50F-HZ Z 7.14 ambi=1 { CZ:129.5 } ::sumAvg: 4.91 atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.925 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.285 atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 3.925 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.93 atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } ::sumAvg: 2.95 atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } :: atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } ::sumAvg: 4.53 atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } ::sumAvg: 3.59 atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } ::sumAvg: 3.59 atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 566 50F-HE1 E1 7.12 ambi=3 { CE1:130.7 } :: atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } atom: 566 50F-HE1 E1 7.12 ambi=3 { CE1:130.7 } ::sumAvg: 4.52 atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } :: atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } ::sumAvg: 4.405 atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } ::sumAvg: 4.415 atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } ::sumAvg: 4.415 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } ::sumAvg: 4.555 atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 3.435 atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } ::sumAvg: 4.06 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } ::sumAvg: 4.415 atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } ::sumAvg: 4.415 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 4.795 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 3.26 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } ::sumAvg: 3.26 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } ::sumAvg: 4.99 atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } ::sumAvg: 4.99 atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } :: atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } :: atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } ::sumAvg: 4.255 atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } ::sumAvg: 4.255 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } ::sumAvg: 4.105 atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } ::sumAvg: 4.67 atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } ::sumAvg: 4.67 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } ::sumAvg: 4.725 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 4.95 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } :: atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } ::sumAvg: 2.955 atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } :: atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } ::sumAvg: 4.08 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 4.72 atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 3.215 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } :: atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } ::sumAvg: 3.215 atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 552 49L-HD1 D1 0.75 ambi=2 { CD1:25.9 } :: atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 553 49L-HD2 D2 0.74 ambi=2 { CD2:23.3 } ::sumAvg: 2.13 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.285 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.365 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.365 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.335 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 4.275 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.275 atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } ::sumAvg: 4.36 atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.36 atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } ::sumAvg: 4.9 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.09 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.915 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.57 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.505 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.505 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } ::sumAvg: 4.885 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.885 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } ::sumAvg: 4.865 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } ::sumAvg: 4.87 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 4.02 atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.77 atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.77 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 4.935 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.4 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.4 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.345 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.345 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 3.18 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.515 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.065 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } ::sumAvg: 4.875 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 2.81 atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 4.57 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.57 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 3.005 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.82 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.55 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.515 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 3.365 atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.69 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 3.675 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 3.42 atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.24 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 3.535 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.41 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.41 atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } ::sumAvg: 4.67 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.67 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.7 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.34 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.34 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.29 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.29 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } ::sumAvg: 4.29 atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } ::sumAvg: 3.69 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 3.69 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.905 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.935 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.95 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 3.455 atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.36 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 3.85 atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.2 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.395 atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.4 atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.735 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.255 atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 2.885 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 3.51 atom: 783 71P-HD2 D 3.59 ambi=2 { CD:50.4 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } :: atom: 784 71P-HD3 D 3.85 ambi=2 { CD:50.4 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 3.465 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 3.73 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.86 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.76 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } :: atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } ::sumAvg: 4.45 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.72 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.72 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.26 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 3.335 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 3.335 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } ::sumAvg: 4.295 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.295 atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.18 atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } :: atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } ::sumAvg: 4.635 atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } :: atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.635 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.685 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } ::sumAvg: 4.33 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } ::sumAvg: 4.33 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 2.935 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.175 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 4.82 atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.85 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } ::sumAvg: 4.85 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 3.685 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.145 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.145 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.105 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } ::sumAvg: 4.895 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.895 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.225 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 3.475 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 706 65Y-H N 9.12 ambi=1 { N:120 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 706 65Y-H N 9.12 ambi=1 { N:120 } ::sumAvg: 4.815 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.655 atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } :: atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 4.38 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.945 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 3.96 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 3.705 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.81 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.99 atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.655 atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.535 atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.48 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } ::sumAvg: 4.38 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.38 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 4.345 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.345 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } ::sumAvg: 4.96 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.96 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.18 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.18 atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } ::sumAvg: 4.24 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 3.835 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } ::sumAvg: 4.705 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.715 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } :: atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } ::sumAvg: 4.715 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } ::sumAvg: 4.13 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 4.97 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } ::sumAvg: 4.97 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } ::sumAvg: 4.66 atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } :: atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } :: atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } ::sumAvg: 3.325 atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } :: atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } atom: 607 54D-HB2 B 2.42 ambi=2 { CB:42.2 } :: atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } :: atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } atom: 608 54D-HB3 B 3.16 ambi=2 { CB:42.2 } ::sumAvg: 3.325 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 2.915 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 3.53 atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.74 atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } :: atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.965 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } ::sumAvg: 2.675 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } ::sumAvg: 4.515 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 3.495 atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 3.905 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } :: atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } ::sumAvg: 4.87 atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } :: atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 4.87 atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } ::sumAvg: 2.445 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 2.445 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } ::sumAvg: 4.775 atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 4.775 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } ::sumAvg: 4.9 atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } :: atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.72 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.55 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.555 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } :: atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } ::sumAvg: 3.95 atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 3.385 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 617 55L-HG G 1.28 ambi=1 { CG:28.7 } ::sumAvg: 3.385 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } ::sumAvg: 4.285 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } ::sumAvg: 4.835 atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.835 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 3.13 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 3.13 atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } :: atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 3.01 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 3.57 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.54 atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.725 atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } :: atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } ::sumAvg: 3.38 atom: 643 58S-HB2 B 3.64 ambi=2 { CB:64.6 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } :: atom: 644 58S-HB3 B 3.78 ambi=2 { CB:64.6 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } ::sumAvg: 4.965 atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } ::sumAvg: 4.96 atom: 636 57G-HA2 A 3.81 ambi=2 { CA:45.8 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } :: atom: 637 57G-HA3 A 4.02 ambi=2 { CA:45.8 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } ::sumAvg: 2.65 atom: 636 57G-HA2 A 3.81 ambi=2 { CA:45.8 } atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } ::sumAvg: 4.575 atom: 636 57G-HA2 A 3.81 ambi=2 { CA:45.8 } atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } :: atom: 637 57G-HA3 A 4.02 ambi=2 { CA:45.8 } atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } ::sumAvg: 4.76 atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } ::sumAvg: 4.77 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } ::sumAvg: 4.525 atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } ::sumAvg: 4.585 atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } ::sumAvg: 4.585 atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 651 59E-HB2 B 1.69 ambi=2 { CB:29.7 } :: atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 652 59E-HB3 B 2.18 ambi=2 { CB:29.7 } ::sumAvg: 4.855 atom: 651 59E-HB2 B 1.69 ambi=2 { CB:29.7 } atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } :: atom: 652 59E-HB3 B 2.18 ambi=2 { CB:29.7 } atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } ::sumAvg: 4.855 atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.85 atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 3.555 atom: 679 62E-HB2 B 1.79 ambi=2 { CB:30.6 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } :: atom: 680 62E-HB3 B 1.82 ambi=2 { CB:30.6 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 3.89 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 679 62E-HB2 B 1.79 ambi=2 { CB:30.6 } :: atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 680 62E-HB3 B 1.82 ambi=2 { CB:30.6 } ::sumAvg: 4.655 atom: 664 60P-HD2 D 3.63 ambi=2 { CD:50.4 } atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } :: atom: 665 60P-HD3 D 3.74 ambi=2 { CD:50.4 } atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } ::sumAvg: 4.535 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } ::sumAvg: 3.75 atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } ::sumAvg: 4.445 atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } ::sumAvg: 4.445 atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } :: atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } ::sumAvg: 4.92 atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } :: atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } ::sumAvg: 4.34 atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } :: atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } ::sumAvg: 4.34 atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.575 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } ::sumAvg: 4.575 atom: 651 59E-HB2 B 1.69 ambi=2 { CB:29.7 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } :: atom: 652 59E-HB3 B 2.18 ambi=2 { CB:29.7 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } ::sumAvg: 4.18 atom: 651 59E-HB2 B 1.69 ambi=2 { CB:29.7 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 651 59E-HB2 B 1.69 ambi=2 { CB:29.7 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } :: atom: 652 59E-HB3 B 2.18 ambi=2 { CB:29.7 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 652 59E-HB3 B 2.18 ambi=2 { CB:29.7 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.655 atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } atom: 653 59E-HG2 G 2.29 ambi=2 { CG:34.6 } :: atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } atom: 653 59E-HG2 G 2.29 ambi=2 { CG:34.6 } :: atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } atom: 654 59E-HG3 G 2.38 ambi=2 { CG:34.6 } :: atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } atom: 654 59E-HG3 G 2.38 ambi=2 { CG:34.6 } ::sumAvg: 4.93 atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } atom: 664 60P-HD2 D 3.63 ambi=2 { CD:50.4 } ::sumAvg: 3.645 atom: 664 60P-HD2 D 3.63 ambi=2 { CD:50.4 } atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } ::sumAvg: 3.645 atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.515 atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } ::sumAvg: 4.515 atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } ::sumAvg: 4.43 atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 3.315 atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } ::sumAvg: 4.09 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } ::sumAvg: 4.09 atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } :: atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } ::sumAvg: 4.32 atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } ::sumAvg: 3.65 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } :: atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } ::sumAvg: 3.155 atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } atom: 1027 91H-H N 9.23 ambi=1 { N:121.2 } :: atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } atom: 1027 91H-H N 9.23 ambi=1 { N:121.2 } ::sumAvg: 3.735 atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.69 atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } :: atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } ::sumAvg: 4.69 atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } :: atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } :: atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } :: atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } ::sumAvg: 4.19 atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 660 60P-HB2 B 1.85 ambi=2 { CB:32.3 } :: atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 661 60P-HB3 B 2.16 ambi=2 { CB:32.3 } ::sumAvg: 4.19 atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } :: atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } ::sumAvg: 4.855 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } :: atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } ::sumAvg: 4.855 atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.645 atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 662 60P-HG2 G 1.49 ambi=2 { CG:27.8 } :: atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 663 60P-HG3 G 1.8 ambi=2 { CG:27.8 } ::sumAvg: 4.815 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } ::sumAvg: 4.31 atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 679 62E-HB2 B 1.79 ambi=2 { CB:30.6 } :: atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 680 62E-HB3 B 1.82 ambi=2 { CB:30.6 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 679 62E-HB2 B 1.79 ambi=2 { CB:30.6 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 680 62E-HB3 B 1.82 ambi=2 { CB:30.6 } ::sumAvg: 4.695 atom: 679 62E-HB2 B 1.79 ambi=2 { CB:30.6 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 680 62E-HB3 B 1.82 ambi=2 { CB:30.6 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 679 62E-HB2 B 1.79 ambi=2 { CB:30.6 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } :: atom: 680 62E-HB3 B 1.82 ambi=2 { CB:30.6 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } ::sumAvg: 4.695 atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } ::sumAvg: 4.35 atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } ::sumAvg: 4.845 atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.695 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } ::sumAvg: 4.695 atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 4.055 atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } :: atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } ::sumAvg: 4.055 atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } ::sumAvg: 4.73 atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } ::sumAvg: 4.73 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } ::sumAvg: 4.47 atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } :: atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } ::sumAvg: 4.32 atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } ::sumAvg: 4.61 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } ::sumAvg: 4.61 atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 3.735 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } ::sumAvg: 3.735 atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 4.595 atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.575 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } ::sumAvg: 3.625 atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 3.45 atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 3.03 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 2.775 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 2.775 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } ::sumAvg: 4.06 atom: 681 62E-HG2 G 1.98 ambi=2 { CG:35.5 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } :: atom: 682 62E-HG3 G 2 ambi=2 { CG:35.5 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.725 atom: 681 62E-HG2 G 1.98 ambi=2 { CG:35.5 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } :: atom: 682 62E-HG3 G 2 ambi=2 { CG:35.5 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 3.545 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 2.94 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 2.685 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 4.87 atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 4.96 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 4.07 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 3.36 atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 4.42 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } ::sumAvg: 2.485 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } ::sumAvg: 4.08 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } ::sumAvg: 2.345 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.345 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } ::sumAvg: 4.345 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } :: atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } ::sumAvg: 4.71 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.925 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 4.005 atom: 689 63H-HA A 4.82 ambi=1 { CA:53.7 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 4.925 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } ::sumAvg: 2.845 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.755 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } ::sumAvg: 4.755 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.1 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 4.495 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } :: atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } ::sumAvg: 4.47 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } ::sumAvg: 4.47 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } ::sumAvg: 4.24 atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 3.74 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } ::sumAvg: 3.74 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } ::sumAvg: 4.575 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } ::sumAvg: 2.925 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } ::sumAvg: 4.73 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } ::sumAvg: 4.515 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } ::sumAvg: 4.395 atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.395 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.51 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.51 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 3.64 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.965 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 966 86T-H N 8.62 ambi=1 { N:123.2 } ::sumAvg: 4.76 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 3.6 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 3.6 atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } ::sumAvg: 4.81 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.81 atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } :: atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } ::sumAvg: 4.365 atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } :: atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } ::sumAvg: 4.365 atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } :: atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } ::sumAvg: 4.76 atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } :: atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } ::sumAvg: 4.76 atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } :: atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } ::sumAvg: 4.445 atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } :: atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 4.235 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } :: atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } ::sumAvg: 4.235 atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 706 65Y-H N 9.12 ambi=1 { N:120 } ::sumAvg: 2.935 atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } atom: 706 65Y-H N 9.12 ambi=1 { N:120 } ::sumAvg: 4.82 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 706 65Y-H N 9.12 ambi=1 { N:120 } ::sumAvg: 4.575 atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 706 65Y-H N 9.12 ambi=1 { N:120 } ::sumAvg: 4.805 atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.91 atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } ::sumAvg: 4.405 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } ::sumAvg: 4.405 atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } :: atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } ::sumAvg: 4.945 atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } :: atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } atom: 707 65Y-HA A 4.61 ambi=1 { CA:57.5 } ::sumAvg: 4.945 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.695 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 2.715 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } ::sumAvg: 4.755 atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.755 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } ::sumAvg: 4.88 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.88 atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.66 atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } :: atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } ::sumAvg: 4.085 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.41 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 3.56 atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 2.795 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.09 atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.83 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 2.41 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.875 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.37 atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 3.18 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 3.11 atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 4.99 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 4.885 atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 4.26 atom: 958 85V-HG1 G1 0.7 ambi=2 { CG1:21.9 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } :: atom: 959 85V-HG2 G2 0.75 ambi=2 { CG2:20.1 } atom: 718 66E-H N 8.73 ambi=1 { N:123 } ::sumAvg: 4.89 atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.375 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } ::sumAvg: 4.595 atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } ::sumAvg: 4.965 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } ::sumAvg: 3.525 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.88 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } ::sumAvg: 4.88 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } ::sumAvg: 3.575 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } ::sumAvg: 3.305 atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } ::sumAvg: 3.305 atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } :: atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } ::sumAvg: 4.755 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } ::sumAvg: 4.755 atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } :: atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } ::sumAvg: 4.865 atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } :: atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } ::sumAvg: 4.865 atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } :: atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } ::sumAvg: 4.34 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 722 66E-HG2 G 2.16 ambi=2 { CG:35.9 } :: atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } ::sumAvg: 4.34 atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } :: atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } atom: 723 66E-HG3 G 2.39 ambi=2 { CG:35.9 } ::sumAvg: 4.775 atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } ::sumAvg: 4.88 atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } :: atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } ::sumAvg: 4.785 atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } ::sumAvg: 3.6 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } ::sumAvg: 3.035 atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.385 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } ::sumAvg: 4.53 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.53 atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } ::sumAvg: 4.015 atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.015 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } ::sumAvg: 4.3 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } ::sumAvg: 4.895 atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } ::sumAvg: 4.895 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } ::sumAvg: 4.22 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } ::sumAvg: 4.22 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } :: atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } ::sumAvg: 4.995 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } :: atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } ::sumAvg: 4.995 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 3.72 atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.81 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } ::sumAvg: 4.705 atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } ::sumAvg: 4.955 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.075 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } ::sumAvg: 4.9 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 896 80I-HB B 1.48 ambi=1 { CB:41.2 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 896 80I-HB B 1.48 ambi=1 { CB:41.2 } ::sumAvg: 4.295 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } ::sumAvg: 4.125 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.705 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 3.83 atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } :: atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.015 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } ::sumAvg: 4.88 atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } :: atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } ::sumAvg: 4.38 atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } ::sumAvg: 4.555 atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } ::sumAvg: 4.555 atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.17 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } ::sumAvg: 2.435 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } ::sumAvg: 4.265 atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } :: atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } ::sumAvg: 4.265 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.705 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } ::sumAvg: 4.705 atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } :: atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 4.955 atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } ::sumAvg: 2.465 atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } :: atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } ::sumAvg: 4.255 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } ::sumAvg: 4.22 atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } ::sumAvg: 4.53 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 2.17 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.52 atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 4.805 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.805 atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 4.175 atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } ::sumAvg: 4.985 atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } atom: 863 77I-HG2 G2 0.7 ambi=1 { CG2:17.8 } ::sumAvg: 4.235 atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 2.38 atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } ::sumAvg: 4.545 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } ::sumAvg: 4.545 atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.065 atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } ::sumAvg: 4.09 atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 4.09 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 3.6 atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } ::sumAvg: 4.76 atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } :: atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 4.76 atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } :: atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } ::sumAvg: 4.29 atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 3.53 atom: 896 80I-HB B 1.48 ambi=1 { CB:41.2 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 896 80I-HB B 1.48 ambi=1 { CB:41.2 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 3.385 atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 3.055 atom: 783 71P-HD2 D 3.59 ambi=2 { CD:50.4 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } :: atom: 784 71P-HD3 D 3.85 ambi=2 { CD:50.4 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 4.525 atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } :: atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } ::sumAvg: 4.915 atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } :: atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } atom: 769 70E-HA A 4.52 ambi=1 { CA:55.1 } ::sumAvg: 4.915 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } ::sumAvg: 4.905 atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } :: atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 4.89 atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } atom: 783 71P-HD2 D 3.59 ambi=2 { CD:50.4 } ::sumAvg: 3.655 atom: 783 71P-HD2 D 3.59 ambi=2 { CD:50.4 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } ::sumAvg: 3.655 atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } ::sumAvg: 4.605 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } ::sumAvg: 4.605 atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } :: atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } ::sumAvg: 4.05 atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 3.91 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } ::sumAvg: 3.91 atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } ::sumAvg: 4.7 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } ::sumAvg: 4.7 atom: 863 77I-HG2 G2 0.7 ambi=1 { CG2:17.8 } atom: 778 71P-HA A 4.2 ambi=1 { CA:63.5 } ::sumAvg: 4.48 atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } :: atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 3.36 atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.565 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } :: atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } ::sumAvg: 4.565 atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } :: atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.745 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 779 71P-HB2 B 1.77 ambi=2 { CB:32.1 } :: atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 780 71P-HB3 B 2.27 ambi=2 { CB:32.1 } ::sumAvg: 4.745 atom: 781 71P-HG2 G 1.88 ambi=2 { CG:27.8 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } :: atom: 782 71P-HG3 G 1.98 ambi=2 { CG:27.8 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 4.86 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 4.84 atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } :: atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 2.91 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 3.82 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 2.98 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 4.575 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 4.29 atom: 863 77I-HG2 G2 0.7 ambi=1 { CG2:17.8 } atom: 790 72I-H N 8.96 ambi=1 { N:126 } ::sumAvg: 4.865 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 4.785 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.785 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 3.55 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 3.55 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } :: atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } ::sumAvg: 4.865 atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.865 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } ::sumAvg: 4.28 atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.28 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 4.95 atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 4.805 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } ::sumAvg: 4.96 atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } ::sumAvg: 4.96 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } ::sumAvg: 2.535 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.405 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } ::sumAvg: 4.405 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 4.795 atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 3.405 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } ::sumAvg: 4.705 atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 4.58 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } ::sumAvg: 4.58 atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } :: atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 3.945 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } :: atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 794 72I-HG13 G1 1.82 ambi=2 { CG1:26.7 } ::sumAvg: 3.945 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 793 72I-HG12 G1 0.85 ambi=2 { CG1:26.7 } ::sumAvg: 4.765 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } ::sumAvg: 4.305 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 803 73P-HA A 4.15 ambi=1 { CA:64.3 } ::sumAvg: 4.275 atom: 803 73P-HA A 4.15 ambi=1 { CA:64.3 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 4.275 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } :: atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } ::sumAvg: 4.435 atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } :: atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 4.435 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } ::sumAvg: 3.845 atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 3.845 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 3.36 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } ::sumAvg: 4.985 atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 4.985 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } ::sumAvg: 4.035 atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 4.035 atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 4.855 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 3.4 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 4.79 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.965 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 858 77I-H N 8.79 ambi=1 { N:126.2 } ::sumAvg: 4.915 atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } ::sumAvg: 4.25 atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 4.25 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 3.46 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 4.14 atom: 803 73P-HA A 4.15 ambi=1 { CA:64.3 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } ::sumAvg: 3.585 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 803 73P-HA A 4.15 ambi=1 { CA:64.3 } ::sumAvg: 3.585 atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } :: atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } ::sumAvg: 4.95 atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 804 73P-HB2 B 1.65 ambi=2 { CB:31.8 } :: atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 805 73P-HB3 B 2.22 ambi=2 { CB:31.8 } ::sumAvg: 4.95 atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 4.165 atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 4.795 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 4.285 atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } :: atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 4.84 atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 4.96 atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 4.825 atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 3.26 atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 4.305 atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.745 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } ::sumAvg: 4.745 atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } ::sumAvg: 4.41 atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } ::sumAvg: 4.41 atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 3.07 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } ::sumAvg: 3.07 atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } :: atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 3.95 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 817 74N-HB2 B 2.97 ambi=2 { CB:38.3 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 818 74N-HB3 B 3.18 ambi=2 { CB:38.3 } ::sumAvg: 3.95 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 4.295 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 4.925 atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 3.81 atom: 842 76K-HA A 4.58 ambi=1 { CA:54.4 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 4.965 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 3.805 atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } :: atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.98 atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } :: atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } ::sumAvg: 4.57 atom: 842 76K-HA A 4.58 ambi=1 { CA:54.4 } atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } ::sumAvg: 4.36 atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 842 76K-HA A 4.58 ambi=1 { CA:54.4 } ::sumAvg: 4.36 atom: 842 76K-HA A 4.58 ambi=1 { CA:54.4 } atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } ::sumAvg: 4.47 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 842 76K-HA A 4.58 ambi=1 { CA:54.4 } ::sumAvg: 4.47 atom: 843 76K-HB2 B 1.72 ambi=2 { CB:34.9 } atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } :: atom: 844 76K-HB3 B 1.78 ambi=2 { CB:34.9 } atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } ::sumAvg: 4.85 atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 843 76K-HB2 B 1.72 ambi=2 { CB:34.9 } :: atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 844 76K-HB3 B 1.78 ambi=2 { CB:34.9 } ::sumAvg: 4.85 atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } ::sumAvg: 4.235 atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } :: atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } ::sumAvg: 4.615 atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } :: atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } ::sumAvg: 2.45 atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 849 76K-HE2 E 2.97 ambi=2 { CE:42.1 } :: atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 850 76K-HE3 E 3 ambi=2 { CE:42.1 } :: atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } atom: 849 76K-HE2 E 2.97 ambi=2 { CE:42.1 } :: atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } atom: 850 76K-HE3 E 3 ambi=2 { CE:42.1 } ::sumAvg: 2.495 atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 863 77I-HG2 G2 0.7 ambi=1 { CG2:17.8 } :: atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } atom: 863 77I-HG2 G2 0.7 ambi=1 { CG2:17.8 } ::sumAvg: 4.595 atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } :: atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 4.69 atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } :: atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } :: atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } ::sumAvg: 4.69 atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } :: atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 4.68 atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } ::sumAvg: 4.06 atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } ::sumAvg: 4.755 atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 3.68 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } ::sumAvg: 4.565 atom: 859 77I-HA A 3.88 ambi=1 { CA:61.5 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.37 atom: 860 77I-HB B 1.86 ambi=1 { CB:37 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 2.335 atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 2.125 atom: 873 78V-HA A 4.14 ambi=1 { CA:63 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } :: atom: 873 78V-HA A 4.14 ambi=1 { CA:63 } atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } ::sumAvg: 4.3 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } ::sumAvg: 4.865 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 3.365 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 4.92 atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } :: atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } ::sumAvg: 4.9 atom: 896 80I-HB B 1.48 ambi=1 { CB:41.2 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } ::sumAvg: 4.755 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } :: atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } ::sumAvg: 4.205 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } :: atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } :: atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } ::sumAvg: 4.205 atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } :: atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.32 atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } atom: 900 80I-HD1 D1 0.77 ambi=1 { CD1:14.2 } ::sumAvg: 4.185 atom: 863 77I-HG2 G2 0.7 ambi=1 { CG2:17.8 } atom: 873 78V-HA A 4.14 ambi=1 { CA:63 } ::sumAvg: 3.88 atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 863 77I-HG2 G2 0.7 ambi=1 { CG2:17.8 } ::sumAvg: 4.715 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.47 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 4.785 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } ::sumAvg: 3.555 atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } ::sumAvg: 3.495 atom: 873 78V-HA A 4.14 ambi=1 { CA:63 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 3.55 atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } atom: 884 79E-HA A 4.43 ambi=1 { CA:56.6 } ::sumAvg: 4.525 atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } atom: 874 78V-HB B 1.8 ambi=1 { CB:33.1 } ::sumAvg: 4.425 atom: 887 79E-HG2 G 2.03 ambi=2 { CG:36.2 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } atom: 875 78V-HG1 G1 0.82 ambi=2 { CG1:21.1 } :: atom: 887 79E-HG2 G 2.03 ambi=2 { CG:36.2 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } :: atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } atom: 876 78V-HG2 G2 0.7 ambi=2 { CG2:20.5 } ::sumAvg: 3.28 atom: 887 79E-HG2 G 2.03 ambi=2 { CG:36.2 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } :: atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 3.755 atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } ::sumAvg: 4.845 atom: 884 79E-HA A 4.43 ambi=1 { CA:56.6 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.525 atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.565 atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 4.425 atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } :: atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.425 atom: 887 79E-HG2 G 2.03 ambi=2 { CG:36.2 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 887 79E-HG2 G 2.03 ambi=2 { CG:36.2 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } :: atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 4.735 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } :: atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 3.455 atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 3.09 atom: 900 80I-HD1 D1 0.77 ambi=1 { CD1:14.2 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 3.415 atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } :: atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 4.355 atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } :: atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 4.265 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } ::sumAvg: 4.615 atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 4.865 atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } :: atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } atom: 895 80I-HA A 4.45 ambi=1 { CA:61.2 } ::sumAvg: 4.865 atom: 896 80I-HB B 1.48 ambi=1 { CB:41.2 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } ::sumAvg: 4.305 atom: 896 80I-HB B 1.48 ambi=1 { CB:41.2 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 4.055 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } :: atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } ::sumAvg: 4.2 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } :: atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.91 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } :: atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } ::sumAvg: 4.91 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } :: atom: 898 80I-HG13 G1 1.42 ambi=2 { CG1:28.1 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 4.185 atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } :: atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } ::sumAvg: 3.79 atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } :: atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } atom: 897 80I-HG12 G1 0.62 ambi=2 { CG1:28.1 } ::sumAvg: 3.79 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.265 atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } :: atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } ::sumAvg: 4.51 atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } :: atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.51 atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } :: atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 3.25 atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } :: atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } ::sumAvg: 4.73 atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } :: atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } atom: 899 80I-HG2 G2 0.62 ambi=1 { CG2:17.5 } ::sumAvg: 4.73 atom: 900 80I-HD1 D1 0.77 ambi=1 { CD1:14.2 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 3.605 atom: 900 80I-HD1 D1 0.77 ambi=1 { CD1:14.2 } atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } :: atom: 900 80I-HD1 D1 0.77 ambi=1 { CD1:14.2 } atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } ::sumAvg: 4.125 atom: 900 80I-HD1 D1 0.77 ambi=1 { CD1:14.2 } atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } :: atom: 900 80I-HD1 D1 0.77 ambi=1 { CD1:14.2 } atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } ::sumAvg: 4.96 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } ::sumAvg: 4.64 atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } :: atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } ::sumAvg: 4.94 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } :: atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } ::sumAvg: 4.19 atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } :: atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.19 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } :: atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } ::sumAvg: 4.97 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.97 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } :: atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } ::sumAvg: 4.515 atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } :: atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.515 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 3.96 atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 3.96 atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } :: atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.425 atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } :: atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 3.945 atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } ::sumAvg: 4.865 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 3.76 atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } :: atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.915 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } :: atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } ::sumAvg: 2.305 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } :: atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } ::sumAvg: 3.86 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } ::sumAvg: 3.86 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } :: atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } ::sumAvg: 3.72 atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } :: atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } ::sumAvg: 3.72 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 2.31 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 4.355 atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } ::sumAvg: 4.355 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } :: atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } ::sumAvg: 4.425 atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } :: atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } ::sumAvg: 4.425 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } :: atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } ::sumAvg: 4.92 atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } :: atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } ::sumAvg: 4.92 atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.3 atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } :: atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } ::sumAvg: 4.88 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } :: atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } ::sumAvg: 4.88 atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } :: atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } :: atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } atom: 920 82P-HD2 D 3.54 ambi=2 { CD:50.3 } :: atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } atom: 921 82P-HD3 D 3.86 ambi=2 { CD:50.3 } ::sumAvg: 3.04 atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } :: atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 4.69 atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } :: atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } ::sumAvg: 4.69 atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } :: atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } ::sumAvg: 4.35 atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 916 82P-HB2 B 2.24 ambi=2 { CB:34.2 } :: atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 917 82P-HB3 B 2.38 ambi=2 { CB:34.2 } ::sumAvg: 4.35 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.525 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.71 atom: 918 82P-HG2 G 1.67 ambi=2 { CG:24.6 } atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } :: atom: 919 82P-HG3 G 1.88 ambi=2 { CG:24.6 } atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } ::sumAvg: 4.68 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.87 atom: 946 84V-HB B 1.76 ambi=1 { CB:36 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.845 atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.445 atom: 958 85V-HG1 G1 0.7 ambi=2 { CG1:21.9 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } :: atom: 959 85V-HG2 G2 0.75 ambi=2 { CG2:20.1 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.82 atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } ::sumAvg: 4.525 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 4.525 atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } :: atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } ::sumAvg: 4.46 atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } ::sumAvg: 4.59 atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } :: atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } ::sumAvg: 4.71 atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } :: atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } ::sumAvg: 4.71 atom: 929 83R-HB2 B 1.91 ambi=2 { CB:31.4 } atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } :: atom: 930 83R-HB3 B 1.95 ambi=2 { CB:31.4 } atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } ::sumAvg: 2.45 atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } :: atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } ::sumAvg: 2.625 atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } :: atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.45 atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } :: atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } ::sumAvg: 4.39 atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.77 atom: 958 85V-HG1 G1 0.7 ambi=2 { CG1:21.9 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } :: atom: 959 85V-HG2 G2 0.75 ambi=2 { CG2:20.1 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 3.98 atom: 948 84V-HG2 G2 0.78 ambi=2 { CG2:20.8 } atom: 966 86T-H N 8.62 ambi=1 { N:123.2 } :: atom: 947 84V-HG1 G1 0.74 ambi=2 { CG1:21.3 } atom: 966 86T-H N 8.62 ambi=1 { N:123.2 } ::sumAvg: 4.485 atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } ::sumAvg: 2.94 atom: 957 85V-HB B 1.87 ambi=1 { CB:35.3 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } ::sumAvg: 3.81 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } ::sumAvg: 4.86 atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 4.36 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } ::sumAvg: 4.36 atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } atom: 968 86T-HB B 3.74 ambi=1 { CB:69.6 } ::sumAvg: 4.665 atom: 957 85V-HB B 1.87 ambi=1 { CB:35.3 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 4.62 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 957 85V-HB B 1.87 ambi=1 { CB:35.3 } ::sumAvg: 4.62 atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 957 85V-HB B 1.87 ambi=1 { CB:35.3 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 957 85V-HB B 1.87 ambi=1 { CB:35.3 } ::sumAvg: 3.03 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 966 86T-H N 8.62 ambi=1 { N:123.2 } ::sumAvg: 4.36 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } :: atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } ::sumAvg: 4.535 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 4.535 atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } ::sumAvg: 3.805 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 3.805 atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 4.51 atom: 968 86T-HB B 3.74 ambi=1 { CB:69.6 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 4.285 atom: 968 86T-HB B 3.74 ambi=1 { CB:69.6 } atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } ::sumAvg: 4.835 atom: 968 86T-HB B 3.74 ambi=1 { CB:69.6 } atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } :: atom: 968 86T-HB B 3.74 ambi=1 { CB:69.6 } atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } ::sumAvg: 4.915 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } ::sumAvg: 3.735 atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 3.735 atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 4.83 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } ::sumAvg: 4.89 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 4.89 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } ::sumAvg: 4.55 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.485 atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.585 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 4.585 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 4.42 atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 2.945 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 2.55 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 4.925 atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } ::sumAvg: 3.09 atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } ::sumAvg: 3.09 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } ::sumAvg: 2.45 atom: 977 87L-HB2 B 1.31 ambi=2 { CB:45.9 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } :: atom: 978 87L-HB3 B 1.82 ambi=2 { CB:45.9 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 3.095 atom: 980 87L-HD1 D1 0.61 ambi=2 { CD1:25.7 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } :: atom: 981 87L-HD2 D2 0.72 ambi=2 { CD2:24.4 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 3.545 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 2.925 atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.895 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.465 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 2.47 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } ::sumAvg: 4.51 atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } :: atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.51 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } ::sumAvg: 4.035 atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.035 atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.565 atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } :: atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.565 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } ::sumAvg: 4.265 atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } :: atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.845 atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } :: atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } ::sumAvg: 4.845 atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } :: atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.3 atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 4.3 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 4.89 atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } ::sumAvg: 2.925 atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } ::sumAvg: 3.12 atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } ::sumAvg: 4.52 atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } :: atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.52 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } ::sumAvg: 4.375 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } ::sumAvg: 2.94 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } ::sumAvg: 2.46 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1027 91H-H N 9.23 ambi=1 { N:121.2 } ::sumAvg: 2.335 atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } :: atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } ::sumAvg: 4.65 atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } ::sumAvg: 4.65 atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.81 atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } ::sumAvg: 4.81 atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 1027 91H-H N 9.23 ambi=1 { N:121.2 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 1027 91H-H N 9.23 ambi=1 { N:121.2 } ::sumAvg: 2.525 atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 2.505 atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 1036 92H-HA A 4.52 ambi=1 { CA:55.6 } ::sumAvg: 4.355 atom: 1036 92H-HA A 4.52 ambi=1 { CA:55.6 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.355 atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } :: atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } ::sumAvg: 4.515 atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } :: atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.515 atom: 1029 91H-HB2 B 3.09 ambi=2 { CB:29.4 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } :: atom: 1030 91H-HB3 B 3.21 ambi=2 { CB:29.4 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } ::sumAvg: 3.535 # Missing interactons for n.peaks atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } :: atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } ::sumAvg: 1.8 atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } :: atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } ::sumAvg: 1.8 atom: 7 2S-H N 8.82 ambi=1 { N:116.8 } atom: 9 2S-HB2 B 3.85 ambi=2 { CB:63.7 } :: atom: 7 2S-H N 8.82 ambi=1 { N:116.8 } atom: 10 2S-HB3 B 3.88 ambi=2 { CB:63.7 } ::sumAvg: 2.79 atom: 7 2S-H N 8.82 ambi=1 { N:116.8 } atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } ::sumAvg: 4.955 atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } :: atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } atom: 16 3Q-HA A 4.41 ambi=1 { CA:56.2 } ::sumAvg: 4.805 atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } :: atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } :: atom: 21 3Q-HE21 E2 6.86 ambi=2 { NE2:112.5 } atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } :: atom: 22 3Q-HE22 E2 7.52 ambi=2 { NE2:112.5 } atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } ::sumAvg: 3.81 atom: 39 5L-H N 8.19 ambi=1 { N:123.8 } atom: 17 3Q-HB2 B 1.99 ambi=2 { CB:29.8 } :: atom: 39 5L-H N 8.19 ambi=1 { N:123.8 } atom: 18 3Q-HB3 B 2.14 ambi=2 { CB:29.8 } ::sumAvg: 4.61 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 100 10T-HG2 G2 1 ambi=1 { CG2:21.6 } ::sumAvg: 4.29 atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } atom: 44 5L-HD1 D1 0.85 ambi=2 { CD1:25.1 } :: atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } atom: 45 5L-HD2 D2 0.81 ambi=2 { CD2:23.4 } ::sumAvg: 4.92 atom: 53 6D-H N 8.16 ambi=1 { N:120.4 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } ::sumAvg: 4.925 atom: 78 8D-H N 9.29 ambi=1 { N:121 } atom: 55 6D-HB2 B 2.62 ambi=2 { CB:41.1 } :: atom: 78 8D-H N 9.29 ambi=1 { N:121 } atom: 56 6D-HB3 B 2.82 ambi=2 { CB:41.1 } ::sumAvg: 4.97 atom: 78 8D-H N 9.29 ambi=1 { N:121 } atom: 61 7R-H N 8.15 ambi=1 { N:119.4 } ::sumAvg: 3.205 atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 62 7R-HA A 4.44 ambi=1 { CA:56.2 } ::sumAvg: 4.945 atom: 78 8D-H N 9.29 ambi=1 { N:121 } atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } :: atom: 78 8D-H N 9.29 ambi=1 { N:121 } atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } ::sumAvg: 4.065 atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 65 7R-HG2 G 1.43 ambi=2 { CG:27.7 } :: atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 66 7R-HG3 G 1.48 ambi=2 { CG:27.7 } ::sumAvg: 4.29 atom: 78 8D-H N 9.29 ambi=1 { N:121 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } ::sumAvg: 4.105 atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } atom: 79 8D-HA A 4.32 ambi=1 { CA:53.7 } ::sumAvg: 4.55 atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } :: atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } ::sumAvg: 4.94 atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } atom: 86 9P-HB2 B 1.68 ambi=2 { CB:32.1 } :: atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } atom: 87 9P-HB3 B 2.09 ambi=2 { CB:32.1 } ::sumAvg: 4.665 atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 4.685 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 88 9P-HG2 G 1.83 ambi=2 { CG:27 } :: atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 89 9P-HG3 G 1.87 ambi=2 { CG:27 } ::sumAvg: 3.27 atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 3.855 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 4.44 atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 90 9P-HD2 D 3.6 ambi=2 { CD:50.8 } :: atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 91 9P-HD3 D 3.7 ambi=2 { CD:50.8 } ::sumAvg: 3.195 atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.345 atom: 97 10T-H N 8.41 ambi=1 { N:117.7 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 4.83 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 98 10T-HA A 5.05 ambi=1 { CA:61.8 } ::sumAvg: 4.93 atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 99 10T-HB B 3.98 ambi=1 { CB:69.2 } ::sumAvg: 4.235 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } ::sumAvg: 4.025 atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } ::sumAvg: 4.42 atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.42 atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.765 atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.845 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.845 atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.23 atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } atom: 106 11L-H N 9.16 ambi=1 { N:128.5 } ::sumAvg: 4.23 atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } atom: 107 11L-HA A 4.63 ambi=1 { CA:53.3 } ::sumAvg: 4.86 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 111 11L-HD1 D1 0.64 ambi=2 { CD1:25.5 } :: atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 112 11L-HD2 D2 0.69 ambi=2 { CD2:22.1 } ::sumAvg: 2.965 atom: 120 12T-H N 8.58 ambi=1 { N:119.3 } atom: 133 13L-HG G 1.41 ambi=1 { CG:27.3 } ::sumAvg: 4.25 atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 122 12T-HB B 3.96 ambi=1 { CB:69.2 } ::sumAvg: 4.31 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 123 12T-HG2 G2 1.06 ambi=1 { CG2:21.1 } ::sumAvg: 4.635 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } ::sumAvg: 4.395 atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 144 14S-HA A 4.49 ambi=1 { CA:58.9 } ::sumAvg: 4.975 atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 4.875 atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 3.775 atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 363 33V-HA A 4.64 ambi=1 { CA:60.4 } ::sumAvg: 4.865 atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 394 35V-HG2 G2 0.76 ambi=2 { CG2:21.5 } :: atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 393 35V-HG1 G1 0.79 ambi=2 { CG1:22.6 } ::sumAvg: 4.055 atom: 129 13L-H N 9.47 ambi=1 { N:126.9 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.585 atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } atom: 130 13L-HA A 4.8 ambi=1 { CA:52.8 } ::sumAvg: 4.72 atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 131 13L-HB2 B 1.45 ambi=2 { CB:45.2 } :: atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 132 13L-HB3 B 1.5 ambi=2 { CB:45.2 } ::sumAvg: 4.705 atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } ::sumAvg: 4.96 atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } atom: 134 13L-HD1 D1 0.59 ambi=2 { CD1:26.7 } :: atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } atom: 135 13L-HD2 D2 0.72 ambi=2 { CD2:23.7 } ::sumAvg: 4.945 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.565 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 355 32S-HA A 4.69 ambi=1 { CA:58.2 } ::sumAvg: 4.725 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.69 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 365 33V-HG1 G1 0.64 ambi=2 { CG1:21.7 } :: atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 366 33V-HG2 G2 0.66 ambi=2 { CG2:21.4 } ::sumAvg: 4.485 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 562 50F-HA A 4.89 ambi=1 { CA:57.1 } ::sumAvg: 3.525 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 566 50F-HE1 E1 7.12 ambi=3 { CE1:130.7 } ::sumAvg: 4.395 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.53 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } ::sumAvg: 3.15 atom: 143 14S-H N 8.82 ambi=1 { N:117.4 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.655 atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 145 14S-HB2 B 3.84 ambi=2 { CB:64 } :: atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 146 14S-HB3 B 3.87 ambi=2 { CB:64 } ::sumAvg: 4.51 atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.49 atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } atom: 356 32S-HB2 B 3.69 ambi=2 { CB:64.3 } :: atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } atom: 357 32S-HB3 B 3.74 ambi=2 { CB:64.3 } ::sumAvg: 4.43 atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } ::sumAvg: 4.25 atom: 151 15L-H N 8.23 ambi=1 { N:124.9 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.22 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 152 15L-HA A 4.77 ambi=1 { CA:53.6 } ::sumAvg: 4.735 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 155 15L-HG G 1.36 ambi=1 { CG:27.2 } ::sumAvg: 4.095 atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 3.905 atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 331 30L-HB2 B 1.29 ambi=2 { CB:40.3 } :: atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 332 30L-HB3 B 1.86 ambi=2 { CB:40.3 } ::sumAvg: 4.805 atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 563 50F-HB2 B 2.88 ambi=2 { CB:41.2 } :: atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 564 50F-HB3 B 3.23 ambi=2 { CB:41.2 } ::sumAvg: 4.215 atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.47 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } ::sumAvg: 4.47 atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.345 atom: 165 16I-H N 8.75 ambi=1 { N:122.2 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 3.915 atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 171 16I-HD1 D1 0.37 ambi=1 { CD1:12.8 } ::sumAvg: 4.57 atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } atom: 179 17A-H N 8.38 ambi=1 { N:124 } ::sumAvg: 4.435 atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } ::sumAvg: 4.465 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 181 17A-HB B 1.02 ambi=1 { CB:20.4 } ::sumAvg: 4.93 atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } ::sumAvg: 4.71 atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } atom: 282 26I-HD1 D1 0.74 ambi=1 { CD1:14.5 } ::sumAvg: 4.9 atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.705 atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.235 atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.845 atom: 186 18K-H N 8.99 ambi=1 { N:122.8 } atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } ::sumAvg: 4.995 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 188 18K-HB2 B 1.61 ambi=2 { CB:35.6 } :: atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 189 18K-HB3 B 1.64 ambi=2 { CB:35.6 } ::sumAvg: 3.85 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 190 18K-HG2 G 1.18 ambi=2 { CG:25.1 } :: atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 191 18K-HG3 G 1.2 ambi=2 { CG:25.1 } ::sumAvg: 4.73 atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 192 18K-HD2 D 1.11 ambi=2 { CD:29.3 } :: atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 193 18K-HD3 D 1.28 ambi=2 { CD:29.3 } ::sumAvg: 4.135 atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 216 20T-HA A 3.84 ambi=1 { CA:62.8 } ::sumAvg: 4.825 atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 217 20T-HB B 3.79 ambi=1 { CB:68.9 } ::sumAvg: 4.95 atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 218 20T-HG2 G2 1.05 ambi=1 { CG2:21.2 } ::sumAvg: 4.925 atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.07 atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 203 19N-H N 9.05 ambi=1 { N:115.3 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 4.84 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 204 19N-HA A 4.17 ambi=1 { CA:54.1 } ::sumAvg: 4.36 atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 205 19N-HB2 B 2.75 ambi=2 { CB:36.6 } :: atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 206 19N-HB3 B 3.13 ambi=2 { CB:36.6 } ::sumAvg: 3.215 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } ::sumAvg: 1.8 atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 1.8 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.915 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 4.915 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 4.915 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } ::sumAvg: 4.195 atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } :: atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } ::sumAvg: 4.195 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } ::sumAvg: 4.475 atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } :: atom: 207 19N-HD21 D2 6.98 ambi=2 { ND2:116.7 } atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } :: atom: 208 19N-HD22 D2 7.85 ambi=2 { ND2:116.7 } atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } ::sumAvg: 3.765 atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 3.75 atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } ::sumAvg: 3.94 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } ::sumAvg: 3.94 atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 215 20T-H N 7.96 ambi=1 { N:116.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.53 atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } atom: 255 24S-HA A 5.28 ambi=1 { CA:58.1 } ::sumAvg: 4.78 atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } atom: 224 21P-HB2 B 1.8 ambi=2 { CB:32.3 } :: atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } atom: 225 21P-HB3 B 2.4 ambi=2 { CB:32.3 } ::sumAvg: 4.04 atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 4.39 atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 226 21P-HG2 G 1.97 ambi=2 { CG:27.9 } :: atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 227 21P-HG3 G 2.13 ambi=2 { CG:27.9 } ::sumAvg: 4.94 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 4.88 atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 4.9 atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 4.71 atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } atom: 228 21P-HD2 D 3.24 ambi=2 { CD:51.3 } :: atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } atom: 229 21P-HD3 D 4.09 ambi=2 { CD:51.3 } ::sumAvg: 4.78 atom: 235 22A-H N 8.5 ambi=1 { N:124.6 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.45 atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } atom: 235 22A-H N 8.5 ambi=1 { N:124.6 } ::sumAvg: 4.45 atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } atom: 256 24S-HB2 B 3.46 ambi=2 { CB:66.3 } :: atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } atom: 257 24S-HB3 B 3.53 ambi=2 { CB:66.3 } ::sumAvg: 4.745 atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } :: atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } ::sumAvg: 4.575 atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } :: atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } atom: 242 23N-H N 8.71 ambi=1 { N:114.3 } ::sumAvg: 4.575 atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } :: atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } atom: 243 23N-HA A 4.49 ambi=1 { CA:53.8 } ::sumAvg: 3.145 atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } :: atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } ::sumAvg: 1.8 atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } :: atom: 246 23N-HD21 D2 6.94 ambi=2 { ND2:113.6 } atom: 247 23N-HD22 D2 7.59 ambi=2 { ND2:113.6 } ::sumAvg: 1.8 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.405 atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } ::sumAvg: 4.985 atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } ::sumAvg: 4.985 atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } :: atom: 254 24S-H N 7.78 ambi=1 { N:113.4 } atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } ::sumAvg: 4.27 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 258 24S-HG G 4.78 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.08 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 4.96 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 277 26I-HA A 4.29 ambi=1 { CA:61.7 } ::sumAvg: 4.79 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 279 26I-HG12 G1 0.7 ambi=2 { CG1:27.4 } :: atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 280 26I-HG13 G1 1.5 ambi=2 { CG1:27.4 } ::sumAvg: 4.975 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1006 89L-HB2 B 1.64 ambi=2 { CB:45.3 } :: atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1007 89L-HB3 B 1.67 ambi=2 { CB:45.3 } ::sumAvg: 3.835 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } ::sumAvg: 4.85 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } ::sumAvg: 4.11 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } ::sumAvg: 4.115 atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1037 92H-HB2 B 2.93 ambi=2 { CB:29.9 } :: atom: 263 25M-H N 8.86 ambi=1 { N:118.9 } atom: 1038 92H-HB3 B 2.99 ambi=2 { CB:29.9 } ::sumAvg: 4.74 atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } atom: 264 25M-HA A 4.62 ambi=1 { CA:54.1 } ::sumAvg: 4.735 atom: 276 26I-H N 8.83 ambi=1 { N:124.3 } atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } ::sumAvg: 4.85 atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } atom: 269 25M-HE E 1.92 ambi=1 { CE:17.2 } ::sumAvg: 4.785 atom: 312 29K-H N 8.62 ambi=1 { N:126.3 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 4.605 atom: 329 30L-H N 8.58 ambi=1 { N:127.9 } atom: 281 26I-HG2 G2 1.03 ambi=1 { CG2:18.7 } ::sumAvg: 4.12 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 292 27M-HB2 B 1.72 ambi=2 { CB:31.4 } :: atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 293 27M-HB3 B 2.26 ambi=2 { CB:31.4 } ::sumAvg: 4.165 atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } atom: 306 28T-HG2 G2 1.42 ambi=1 { CG2:21.9 } ::sumAvg: 4.985 atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.095 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } ::sumAvg: 4.095 atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 4.395 atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } atom: 1020 90E-HB2 B 1.87 ambi=2 { CB:33.7 } :: atom: 290 27M-H N 8.9 ambi=1 { N:125.4 } atom: 1021 90E-HB3 B 2.15 ambi=2 { CB:33.7 } ::sumAvg: 4.805 atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.28 atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.935 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 392 35V-HB B 1.93 ambi=1 { CB:34.6 } ::sumAvg: 3.54 atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } atom: 296 27M-HE E 1.95 ambi=1 { CE:15.8 } :: atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } atom: 296 27M-HE E 1.95 ambi=1 { CE:15.8 } ::sumAvg: 4.04 atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } ::sumAvg: 4.46 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 303 28T-H N 6.94 ambi=1 { N:116.2 } ::sumAvg: 3.095 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 304 28T-HA A 4.25 ambi=1 { CA:61.9 } ::sumAvg: 4.685 atom: 329 30L-H N 8.58 ambi=1 { N:127.9 } atom: 347 31P-HD2 D 3.41 ambi=2 { CD:50.1 } :: atom: 329 30L-H N 8.58 ambi=1 { N:127.9 } atom: 348 31P-HD3 D 3.91 ambi=2 { CD:50.1 } ::sumAvg: 4.405 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 334 30L-HD1 D1 0.84 ambi=2 { CD1:25.8 } :: atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 335 30L-HD2 D2 0.69 ambi=2 { CD2:24 } ::sumAvg: 4.41 atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } atom: 354 32S-H N 7.83 ambi=1 { N:111.4 } ::sumAvg: 4.51 atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } ::sumAvg: 4.94 atom: 362 33V-H N 8.79 ambi=1 { N:118.6 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.065 atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } atom: 391 35V-HA A 4.95 ambi=1 { CA:60 } ::sumAvg: 4.82 atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } atom: 379 34R-HD2 D 3.09 ambi=2 { CD:43.3 } :: atom: 373 34R-H N 8.98 ambi=1 { N:125.8 } atom: 380 34R-HD3 D 3.11 ambi=2 { CD:43.3 } ::sumAvg: 4.745 atom: 381 34R-HE E 7.2 ambi=1 { NE:84.5 } atom: 374 34R-HA A 5.18 ambi=1 { CA:54.6 } ::sumAvg: 4.81 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } ::sumAvg: 4.25 atom: 390 35V-H N 9.32 ambi=1 { N:125.2 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.86 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.445 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.135 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 4.835 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 2.62 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 887 79E-HG2 G 2.03 ambi=2 { CG:36.2 } :: atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 888 79E-HG3 G 2.26 ambi=2 { CG:36.2 } ::sumAvg: 4.52 atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } ::sumAvg: 4.98 atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } atom: 401 36K-H N 8.75 ambi=1 { N:126.7 } ::sumAvg: 4.98 atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } atom: 402 36K-HA A 4.72 ambi=1 { CA:55.9 } ::sumAvg: 4.58 atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } atom: 405 36K-HG2 G 1.32 ambi=2 { CG:25.2 } :: atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } atom: 406 36K-HG3 G 1.52 ambi=2 { CG:25.2 } ::sumAvg: 4.435 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.44 atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } atom: 872 78V-H N 8.81 ambi=1 { N:126 } ::sumAvg: 4.66 atom: 872 78V-H N 8.81 ambi=1 { N:126 } atom: 418 37T-H N 8.12 ambi=1 { N:115.2 } ::sumAvg: 4.66 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.515 atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } atom: 421 37T-HG2 G2 0.91 ambi=1 { CG2:20.9 } ::sumAvg: 4.43 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 428 38E-HA A 4.78 ambi=1 { CA:54.8 } ::sumAvg: 2.935 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } ::sumAvg: 3.575 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } ::sumAvg: 4.26 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 439 39G-HA2 A 3.8 ambi=2 { CA:44.1 } :: atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 440 39G-HA3 A 5 ambi=2 { CA:44.1 } ::sumAvg: 4.835 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } ::sumAvg: 4.96 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 842 76K-HA A 4.58 ambi=1 { CA:54.4 } ::sumAvg: 4.76 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 4.99 atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 845 76K-HG2 G 1.18 ambi=2 { CG:24.6 } :: atom: 427 38E-H N 8.75 ambi=1 { N:116.7 } atom: 846 76K-HG3 G 1.4 ambi=2 { CG:24.6 } ::sumAvg: 4.82 atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 431 38E-HG2 G 2.2 ambi=2 { CG:35.4 } :: atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 432 38E-HG3 G 2.25 ambi=2 { CG:35.4 } ::sumAvg: 3.84 atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.04 atom: 438 39G-H N 9.33 ambi=1 { N:113.1 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 4.87 atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } ::sumAvg: 4.345 atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 4.705 atom: 444 40Y-H N 8.03 ambi=1 { N:118.6 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.3 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 445 40Y-HA A 4.77 ambi=1 { CA:57.2 } ::sumAvg: 4.73 atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 3.57 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } ::sumAvg: 3.57 atom: 456 41N-H N 8.58 ambi=1 { N:123.1 } atom: 467 42P-HA A 4.41 ambi=1 { CA:63.5 } ::sumAvg: 4.865 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } ::sumAvg: 3.675 atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } atom: 457 41N-HA A 4.57 ambi=1 { CA:50.6 } ::sumAvg: 4.415 atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 4.265 atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } atom: 458 41N-HB2 B 2.63 ambi=2 { CB:38.8 } :: atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } atom: 459 41N-HB3 B 2.73 ambi=2 { CB:38.8 } ::sumAvg: 3.525 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } ::sumAvg: 1.8 atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } :: atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } ::sumAvg: 1.8 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 492 44I-HG2 G2 0.71 ambi=1 { CG2:17.3 } ::sumAvg: 4.48 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.41 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 4.565 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 832 75I-HG2 G2 0.66 ambi=1 { CG2:17.6 } ::sumAvg: 4.15 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.37 atom: 460 41N-HD21 D2 7.27 ambi=2 { ND2:112.1 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } :: atom: 461 41N-HD22 D2 7.73 ambi=2 { ND2:112.1 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 3.57 atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } atom: 470 42P-HG2 G 1.81 ambi=2 { CG:26.3 } :: atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } atom: 471 42P-HG3 G 1.83 ambi=2 { CG:26.3 } ::sumAvg: 4.8 atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } atom: 472 42P-HD2 D 2.49 ambi=2 { CD:49.9 } :: atom: 487 44I-H N 7.03 ambi=1 { N:120.8 } atom: 473 42P-HD3 D 3.53 ambi=2 { CD:49.9 } ::sumAvg: 4.295 atom: 479 43S-H N 7.96 ambi=1 { N:114.4 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } ::sumAvg: 3.38 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 493 44I-HD1 D1 0.77 ambi=1 { CD1:13.5 } ::sumAvg: 4.125 atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } :: atom: 506 45N-HD22 D2 7.58 ambi=2 { ND2:111.8 } atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } ::sumAvg: 4.01 atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.705 atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } :: atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } ::sumAvg: 3.92 atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } atom: 540 48E-HG2 G 2.26 ambi=2 { CG:35 } :: atom: 501 45N-H N 8.52 ambi=1 { N:124.5 } atom: 541 48E-HG3 G 2.29 ambi=2 { CG:35 } ::sumAvg: 4.85 atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } :: atom: 506 45N-HD22 D2 7.58 ambi=2 { ND2:111.8 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } ::sumAvg: 4.31 atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } atom: 502 45N-HA A 4.87 ambi=1 { CA:51.5 } ::sumAvg: 4.215 atom: 547 49L-H N 7.09 ambi=1 { N:121 } atom: 503 45N-HB2 B 2.7 ambi=2 { CB:38.2 } :: atom: 547 49L-H N 7.09 ambi=1 { N:121 } atom: 504 45N-HB3 B 2.94 ambi=2 { CB:38.2 } ::sumAvg: 4.5 atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } atom: 506 45N-HD22 D2 7.58 ambi=2 { ND2:111.8 } :: atom: 506 45N-HD22 D2 7.58 ambi=2 { ND2:111.8 } atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } ::sumAvg: 1.8 atom: 506 45N-HD22 D2 7.58 ambi=2 { ND2:111.8 } atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } :: atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } atom: 506 45N-HD22 D2 7.58 ambi=2 { ND2:111.8 } ::sumAvg: 1.8 atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.885 atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } atom: 505 45N-HD21 D2 7 ambi=2 { ND2:111.8 } ::sumAvg: 4.885 atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } ::sumAvg: 4.045 atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } atom: 547 49L-H N 7.09 ambi=1 { N:121 } ::sumAvg: 4.785 atom: 513 46V-H N 8.54 ambi=1 { N:121.7 } atom: 551 49L-HG G 1.64 ambi=1 { CG:26.5 } ::sumAvg: 4.9 atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } :: atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.99 atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.54 atom: 547 49L-H N 7.09 ambi=1 { N:121 } atom: 517 46V-HG2 G2 0.95 ambi=2 { CG2:20.3 } :: atom: 547 49L-H N 7.09 ambi=1 { N:121 } atom: 516 46V-HG1 G1 0.96 ambi=2 { CG1:21.6 } ::sumAvg: 4.465 atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 4.42 atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 4.42 atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.815 atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 3.9 atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 3.9 atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 770 70E-HB2 B 1.86 ambi=2 { CB:28.1 } :: atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 771 70E-HB3 B 1.99 ambi=2 { CB:28.1 } ::sumAvg: 2.55 atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 772 70E-HG2 G 2.37 ambi=2 { CG:35 } :: atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } atom: 773 70E-HG3 G 2.4 ambi=2 { CG:35 } ::sumAvg: 3.66 atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } atom: 538 48E-HB2 B 1.89 ambi=2 { CB:30.1 } :: atom: 524 47N-H N 8.16 ambi=1 { N:116.6 } atom: 539 48E-HB3 B 2.3 ambi=2 { CB:30.1 } ::sumAvg: 4.63 atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } :: atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } atom: 525 47N-HA A 4.58 ambi=1 { CA:54.8 } ::sumAvg: 4.4 atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } :: atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } ::sumAvg: 1.8 atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } :: atom: 528 47N-HD21 D2 7 ambi=2 { ND2:113.7 } atom: 529 47N-HD22 D2 7.67 ambi=2 { ND2:113.7 } ::sumAvg: 1.8 atom: 536 48E-H N 7.6 ambi=1 { N:116.6 } atom: 548 49L-HA A 4.48 ambi=1 { CA:54 } ::sumAvg: 4.925 atom: 547 49L-H N 7.09 ambi=1 { N:121 } atom: 561 50F-H N 7.87 ambi=1 { N:116.8 } ::sumAvg: 4.56 atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 549 49L-HB2 B 1.28 ambi=2 { CB:44.1 } :: atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 550 49L-HB3 B 1.65 ambi=2 { CB:44.1 } ::sumAvg: 4.795 atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 565 50F-HD1 D1 7.09 ambi=3 { CD1:132.8 } ::sumAvg: 3.655 atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 577 51A-HB B 1.13 ambi=1 { CB:21.9 } ::sumAvg: 4.02 atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.465 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } ::sumAvg: 4.465 atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.85 atom: 575 51A-H N 8.76 ambi=1 { N:124.4 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.935 atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.945 atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } atom: 576 51A-HA A 5.18 ambi=1 { CA:49.9 } ::sumAvg: 4.875 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 587 52Y-HE1 E1 6.58 ambi=3 { CE1:118 } ::sumAvg: 4.625 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.41 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 595 53V-HA A 4.61 ambi=1 { CA:58.5 } ::sumAvg: 4.82 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.515 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 741 68K-HA A 4.44 ambi=1 { CA:54.2 } ::sumAvg: 4.69 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 742 68K-HB2 B 0.31 ambi=2 { CB:34.6 } :: atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 743 68K-HB3 B 1.26 ambi=2 { CB:34.6 } ::sumAvg: 3.675 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } ::sumAvg: 4.805 atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.805 atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } ::sumAvg: 4.41 atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 582 52Y-H N 9.56 ambi=1 { N:116.7 } ::sumAvg: 4.41 atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 583 52Y-HA A 6.15 ambi=1 { CA:56.5 } ::sumAvg: 4.745 atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 584 52Y-HB2 B 2.85 ambi=2 { CB:42.5 } :: atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 585 52Y-HB3 B 2.89 ambi=2 { CB:42.5 } ::sumAvg: 4.29 atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 586 52Y-HD1 D1 6.69 ambi=3 { CD1:133.4 } ::sumAvg: 4.63 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } ::sumAvg: 3.73 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.415 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.415 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 606 54D-HA A 4.97 ambi=1 { CA:52.6 } ::sumAvg: 4.86 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.76 atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } ::sumAvg: 4.895 atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 594 53V-H N 7.94 ambi=1 { N:109.3 } ::sumAvg: 4.895 atom: 718 66E-H N 8.73 ambi=1 { N:123 } atom: 596 53V-HB B 1.68 ambi=1 { CB:34.6 } ::sumAvg: 4.82 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 597 53V-HG1 G1 0.75 ambi=2 { CG1:23.6 } :: atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 598 53V-HG2 G2 0.51 ambi=2 { CG2:18.1 } ::sumAvg: 4.105 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.245 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } ::sumAvg: 4.945 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 3.96 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 3.705 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.425 atom: 718 66E-H N 8.73 ambi=1 { N:123 } atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } ::sumAvg: 4.36 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 720 66E-HB2 B 1.96 ambi=2 { CB:30.6 } :: atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 721 66E-HB3 B 2 ambi=2 { CB:30.6 } ::sumAvg: 4.81 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 730 67V-HA A 3.75 ambi=1 { CA:63.4 } ::sumAvg: 4.99 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } ::sumAvg: 4.655 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } :: atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } ::sumAvg: 4.535 atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 748 68K-HE2 E 2.97 ambi=2 { CE:42.3 } :: atom: 605 54D-H N 9.38 ambi=1 { N:122.7 } atom: 749 68K-HE3 E 2.99 ambi=2 { CE:42.3 } ::sumAvg: 4.48 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 628 56S-HA A 4.19 ambi=1 { CA:60.9 } ::sumAvg: 4.74 atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 629 56S-HB2 B 3.81 ambi=2 { CB:63.2 } :: atom: 613 55L-H N 8.69 ambi=1 { N:125.8 } atom: 630 56S-HB3 B 3.85 ambi=2 { CB:63.2 } ::sumAvg: 4.965 atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 614 55L-HA A 4.27 ambi=1 { CA:55.2 } ::sumAvg: 4.515 atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 3.98 atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 615 55L-HB2 B 1.38 ambi=2 { CB:41.1 } :: atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 616 55L-HB3 B 1.75 ambi=2 { CB:41.1 } ::sumAvg: 4.9 atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 618 55L-HD1 D1 0.43 ambi=2 { CD1:25.8 } :: atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 619 55L-HD2 D2 0.27 ambi=2 { CD2:24.8 } ::sumAvg: 4.285 atom: 627 56S-H N 8.38 ambi=1 { N:117.3 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.685 atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 642 58S-HA A 4.25 ambi=1 { CA:59.8 } ::sumAvg: 4.96 atom: 635 57G-H N 9.13 ambi=1 { N:114.2 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.91 atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } ::sumAvg: 3.315 atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } atom: 650 59E-HA A 4.7 ambi=1 { CA:53.6 } ::sumAvg: 4.77 atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 641 58S-H N 7.78 ambi=1 { N:114.8 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.525 atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } atom: 711 65Y-HE1 E1 6.63 ambi=3 { CE1:118.1 } ::sumAvg: 4.955 atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 649 59E-H N 8.34 ambi=1 { N:122.5 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 3.75 atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } ::sumAvg: 3.975 atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } atom: 659 60P-HA A 4.13 ambi=1 { CA:63.9 } ::sumAvg: 4.64 atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } ::sumAvg: 4.435 atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } ::sumAvg: 4.895 atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.38 atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 4.605 atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 1005 89L-HA A 5.15 ambi=1 { CA:53.6 } ::sumAvg: 4.5 atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 1009 89L-HD1 D1 0.79 ambi=2 { CD1:25 } :: atom: 671 61G-H N 8.86 ambi=1 { N:110.8 } atom: 1010 89L-HD2 D2 0.69 ambi=2 { CD2:25.8 } ::sumAvg: 4.03 atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } atom: 672 61G-HA2 A 3.75 ambi=2 { CA:43.7 } :: atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } atom: 673 61G-HA3 A 4.41 ambi=2 { CA:43.7 } ::sumAvg: 4.01 atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.47 atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } atom: 993 88Q-HG2 G 2.08 ambi=2 { CG:33.5 } :: atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } atom: 994 88Q-HG3 G 2.1 ambi=2 { CG:33.5 } ::sumAvg: 4.32 atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } ::sumAvg: 4.84 atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } atom: 677 62E-H N 8.26 ambi=1 { N:121.5 } ::sumAvg: 4.84 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 678 62E-HA A 5.02 ambi=1 { CA:55.1 } ::sumAvg: 4.575 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 681 62E-HG2 G 1.98 ambi=2 { CG:35.5 } :: atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 682 62E-HG3 G 2 ambi=2 { CG:35.5 } ::sumAvg: 4.725 atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } atom: 692 63H-HD2 D2 6.9 ambi=1 { CD2:120.9 } ::sumAvg: 4.51 atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } ::sumAvg: 4.445 atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } ::sumAvg: 4.445 atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.87 atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 4.675 atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } atom: 976 87L-HA A 4.91 ambi=1 { CA:53.2 } ::sumAvg: 4.96 atom: 688 63H-H N 8.63 ambi=1 { N:121.4 } atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } ::sumAvg: 4.42 atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } atom: 690 63H-HB2 B 2.87 ambi=2 { CB:32.1 } :: atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } atom: 691 63H-HB3 B 2.91 ambi=2 { CB:32.1 } ::sumAvg: 4.495 atom: 706 65Y-H N 9.12 ambi=1 { N:120 } atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } ::sumAvg: 4.485 atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 4.73 atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } atom: 969 86T-HG2 G2 1.06 ambi=1 { CG2:21.8 } ::sumAvg: 4.515 atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } atom: 698 64D-H N 8.12 ambi=1 { N:120.7 } ::sumAvg: 4.98 atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.505 atom: 966 86T-H N 8.62 ambi=1 { N:123.2 } atom: 699 64D-HA A 5.33 ambi=1 { CA:52.7 } ::sumAvg: 4.76 atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 700 64D-HB2 B 2.22 ambi=2 { CB:41.2 } :: atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 701 64D-HB3 B 2.4 ambi=2 { CB:41.2 } ::sumAvg: 4.445 atom: 706 65Y-H N 9.12 ambi=1 { N:120 } atom: 719 66E-HA A 4.44 ambi=1 { CA:56.3 } ::sumAvg: 4.82 atom: 706 65Y-H N 9.12 ambi=1 { N:120 } atom: 966 86T-H N 8.62 ambi=1 { N:123.2 } ::sumAvg: 4.99 atom: 706 65Y-H N 9.12 ambi=1 { N:120 } atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } ::sumAvg: 4.175 atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.085 atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } atom: 708 65Y-HB2 B 2.46 ambi=2 { CB:42.1 } :: atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } atom: 709 65Y-HB3 B 3.03 ambi=2 { CB:42.1 } ::sumAvg: 4.8 atom: 718 66E-H N 8.73 ambi=1 { N:123 } atom: 710 65Y-HD1 D1 7.03 ambi=3 { CD1:133.8 } ::sumAvg: 3.87 atom: 718 66E-H N 8.73 ambi=1 { N:123 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } ::sumAvg: 4.485 atom: 718 66E-H N 8.73 ambi=1 { N:123 } atom: 945 84V-HA A 4.94 ambi=1 { CA:59.4 } ::sumAvg: 4.885 atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } atom: 744 68K-HG2 G 1.15 ambi=2 { CG:24.8 } :: atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } atom: 745 68K-HG3 G 1.18 ambi=2 { CG:24.8 } ::sumAvg: 4.88 atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.645 atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } ::sumAvg: 4.645 atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 729 67V-H N 8.03 ambi=1 { N:126.9 } ::sumAvg: 4.17 atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } atom: 731 67V-HB B 1.85 ambi=1 { CB:32 } ::sumAvg: 4.81 atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } atom: 732 67V-HG1 G1 0.71 ambi=2 { CG1:23.3 } :: atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } atom: 733 67V-HG2 G2 0.66 ambi=2 { CG2:22.3 } ::sumAvg: 4.705 atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 746 68K-HD2 D 1.46 ambi=2 { CD:28.9 } :: atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 747 68K-HD3 D 1.52 ambi=2 { CD:28.9 } ::sumAvg: 4.325 atom: 740 68K-H N 8.81 ambi=1 { N:127.5 } atom: 758 69V-HA A 4.28 ambi=1 { CA:61.4 } ::sumAvg: 4.88 atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 757 69V-H N 8.05 ambi=1 { N:118.4 } ::sumAvg: 4.425 atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 759 69V-HB B 1.72 ambi=1 { CB:35.2 } ::sumAvg: 4.175 atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } atom: 760 69V-HG1 G1 0.88 ambi=2 { CG1:20.9 } :: atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } atom: 761 69V-HG2 G2 0.71 ambi=2 { CG2:21.9 } ::sumAvg: 4.975 atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 783 71P-HD2 D 3.59 ambi=2 { CD:50.4 } :: atom: 768 70E-H N 8.59 ambi=1 { N:128.4 } atom: 784 71P-HD3 D 3.85 ambi=2 { CD:50.4 } ::sumAvg: 4.525 atom: 790 72I-H N 8.96 ambi=1 { N:126 } atom: 781 71P-HG2 G 1.88 ambi=2 { CG:27.8 } :: atom: 790 72I-H N 8.96 ambi=1 { N:126 } atom: 782 71P-HG3 G 1.98 ambi=2 { CG:27.8 } ::sumAvg: 4.86 atom: 790 72I-H N 8.96 ambi=1 { N:126 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 4.84 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.95 atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } atom: 791 72I-HA A 4.4 ambi=1 { CA:58.1 } ::sumAvg: 4.805 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 792 72I-HB B 1.52 ambi=1 { CB:41.5 } ::sumAvg: 4.795 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 3.36 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 795 72I-HG2 G2 0.79 ambi=1 { CG2:17.7 } ::sumAvg: 4.855 atom: 858 77I-H N 8.79 ambi=1 { N:126.2 } atom: 796 72I-HD1 D1 0.62 ambi=1 { CD1:14 } ::sumAvg: 4.915 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } ::sumAvg: 4.165 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 806 73P-HG2 G 1.91 ambi=2 { CG:27.7 } :: atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 807 73P-HG3 G 1.99 ambi=2 { CG:27.7 } ::sumAvg: 4.795 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.285 atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } atom: 808 73P-HD2 D 3.43 ambi=2 { CD:51.1 } :: atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } atom: 809 73P-HD3 D 3.8 ambi=2 { CD:51.1 } ::sumAvg: 4.84 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 828 75I-HA A 4.59 ambi=1 { CA:58.6 } ::sumAvg: 4.96 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 829 75I-HB B 1.73 ambi=1 { CB:39.7 } ::sumAvg: 4.825 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 4.23 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } ::sumAvg: 4.23 atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 815 74N-H N 8.8 ambi=1 { N:115.7 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.565 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 816 74N-HA A 4.25 ambi=1 { CA:55.2 } ::sumAvg: 4.305 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } ::sumAvg: 1.8 atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } :: atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } ::sumAvg: 1.8 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 831 75I-HG13 G1 1.17 ambi=2 { CG1:27.1 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 830 75I-HG12 G1 1.14 ambi=2 { CG1:27.1 } ::sumAvg: 4.295 atom: 819 74N-HD21 D2 6.98 ambi=2 { ND2:113 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } :: atom: 820 74N-HD22 D2 7.47 ambi=2 { ND2:113 } atom: 833 75I-HD1 D1 0.59 ambi=1 { CD1:10.8 } ::sumAvg: 4.925 atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } atom: 827 75I-H N 7.74 ambi=1 { N:119.3 } ::sumAvg: 4.445 atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } atom: 847 76K-HD2 D 1.58 ambi=2 { CD:29.2 } :: atom: 841 76K-H N 8.84 ambi=1 { N:127.3 } atom: 848 76K-HD3 D 1.63 ambi=2 { CD:29.2 } ::sumAvg: 4.615 atom: 858 77I-H N 8.79 ambi=1 { N:126.2 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 4.485 atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } atom: 861 77I-HG12 G1 1.02 ambi=2 { CG1:27.8 } :: atom: 883 79E-H N 7.46 ambi=1 { N:118.9 } atom: 862 77I-HG13 G1 1.5 ambi=2 { CG1:27.8 } ::sumAvg: 3.365 atom: 872 78V-H N 8.81 ambi=1 { N:126 } atom: 864 77I-HD1 D1 0.64 ambi=1 { CD1:12.1 } ::sumAvg: 4.035 atom: 872 78V-H N 8.81 ambi=1 { N:126 } atom: 884 79E-HA A 4.43 ambi=1 { CA:56.6 } ::sumAvg: 4.765 atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } atom: 885 79E-HB2 B 1.85 ambi=2 { CB:33.7 } :: atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } atom: 886 79E-HB3 B 2.03 ambi=2 { CB:33.7 } ::sumAvg: 4.13 atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.6 atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 4.355 atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } atom: 933 83R-HD2 D 3.27 ambi=2 { CD:43.4 } :: atom: 894 80I-H N 8.33 ambi=1 { N:126.3 } atom: 934 83R-HD3 D 3.3 ambi=2 { CD:43.4 } ::sumAvg: 4.265 atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } atom: 915 82P-HA A 4.81 ambi=1 { CA:62.8 } ::sumAvg: 4.64 atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } atom: 931 83R-HG2 G 1.77 ambi=2 { CG:27.6 } :: atom: 908 81S-H N 8.73 ambi=1 { N:119.6 } atom: 932 83R-HG3 G 1.8 ambi=2 { CG:27.6 } ::sumAvg: 4.94 atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } atom: 909 81S-HA A 4.91 ambi=1 { CA:54.4 } ::sumAvg: 4.865 atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } atom: 910 81S-HB2 B 3.62 ambi=2 { CB:65.2 } :: atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } atom: 911 81S-HB3 B 3.75 ambi=2 { CB:65.2 } ::sumAvg: 4.915 atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } ::sumAvg: 4.155 atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } atom: 927 83R-H N 8.29 ambi=1 { N:116.3 } ::sumAvg: 4.155 atom: 935 83R-HE E 7.37 ambi=1 { NE:84.4 } atom: 928 83R-HA A 4.13 ambi=1 { CA:57.2 } ::sumAvg: 4.59 atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } ::sumAvg: 4.36 atom: 944 84V-H N 7.53 ambi=1 { N:116.5 } atom: 956 85V-HA A 4.6 ambi=1 { CA:59.2 } ::sumAvg: 4.77 atom: 955 85V-H N 8.79 ambi=1 { N:118.5 } atom: 967 86T-HA A 5.18 ambi=1 { CA:62 } ::sumAvg: 4.86 atom: 966 86T-H N 8.62 ambi=1 { N:123.2 } atom: 979 87L-HG G 1.71 ambi=1 { CG:26.9 } ::sumAvg: 4.36 atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.41 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } ::sumAvg: 4.41 atom: 975 87L-H N 9.13 ambi=1 { N:124.8 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 4.925 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 990 88Q-HA A 4.86 ambi=1 { CA:54.4 } ::sumAvg: 2.925 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } ::sumAvg: 4.355 atom: 1004 89L-H N 8.81 ambi=1 { N:128.9 } atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } ::sumAvg: 4.355 atom: 989 88Q-H N 8.36 ambi=1 { N:120.9 } atom: 1008 89L-HG G 1.51 ambi=1 { CG:28.5 } ::sumAvg: 4.895 atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } :: atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } atom: 991 88Q-HB2 B 1.85 ambi=2 { CB:30.1 } :: atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } :: atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } atom: 992 88Q-HB3 B 1.94 ambi=2 { CB:30.1 } ::sumAvg: 4.32 atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } :: atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } ::sumAvg: 1.8 atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } :: atom: 995 88Q-HE21 E2 6.73 ambi=2 { NE2:111 } atom: 996 88Q-HE22 E2 7.56 ambi=2 { NE2:111 } ::sumAvg: 1.8 atom: 1018 90E-H N 8.85 ambi=1 { N:122.4 } atom: 1028 91H-HA A 5.02 ambi=1 { CA:55.2 } ::sumAvg: 4.905 atom: 1027 91H-H N 9.23 ambi=1 { N:121.2 } atom: 1019 90E-HA A 4.78 ambi=1 { CA:54.1 } ::sumAvg: 2.335 atom: 1027 91H-H N 9.23 ambi=1 { N:121.2 } atom: 1035 92H-H N 8.26 ambi=1 { N:121.7 } ::sumAvg: 4.495