# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for simnoesy.peaks atom: 2 12A-HA A 4.22 ambi=1 { CA:52.323 } atom: 14 14F-H N 8.109 ambi=1 { N:121.712 } ::sumAvg: 4.965 atom: 3 12A-HB B 1.321 ambi=1 { CB:19.015 } atom: 9 13Q-HB2 B 1.969 ambi=2 { CB:29.804 } :: atom: 3 12A-HB B 1.321 ambi=1 { CB:19.015 } atom: 10 13Q-HB3 B 1.897 ambi=2 { CB:29.804 } ::sumAvg: 4.505 atom: 9 13Q-HB2 B 1.969 ambi=2 { CB:29.804 } atom: 3 12A-HB B 1.321 ambi=1 { CB:19.015 } :: atom: 10 13Q-HB3 B 1.897 ambi=2 { CB:29.804 } atom: 3 12A-HB B 1.321 ambi=1 { CB:19.015 } ::sumAvg: 4.505 atom: 8 13Q-HA A 4.292 ambi=1 { CA:55.457 } atom: 3 12A-HB B 1.321 ambi=1 { CB:19.015 } ::sumAvg: 4.15 atom: 3 12A-HB B 1.321 ambi=1 { CB:19.015 } atom: 14 14F-H N 8.109 ambi=1 { N:121.712 } ::sumAvg: 4.865 atom: 9 13Q-HB2 B 1.969 ambi=2 { CB:29.804 } atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } :: atom: 10 13Q-HB3 B 1.897 ambi=2 { CB:29.804 } atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } ::sumAvg: 4.655 atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } atom: 9 13Q-HB2 B 1.969 ambi=2 { CB:29.804 } :: atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } atom: 10 13Q-HB3 B 1.897 ambi=2 { CB:29.804 } ::sumAvg: 4.655 atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } atom: 7 13Q-H N 8.22 ambi=1 { N:119.119 } ::sumAvg: 4.78 atom: 16 14F-HB2 B 2.952 ambi=2 { CB:39.95 } atom: 8 13Q-HA A 4.292 ambi=1 { CA:55.457 } :: atom: 17 14F-HB3 B 2.941 ambi=2 { CB:39.95 } atom: 8 13Q-HA A 4.292 ambi=1 { CA:55.457 } ::sumAvg: 4.935 atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } atom: 25 15P-QG G 1.9525 ambi=2 { CG:27.14 } ::sumAvg: 3.9 atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } atom: 26 15P-HD2 D 3.728 ambi=2 { CD:50.354 } :: atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } atom: 27 15P-HD3 D 3.525 ambi=2 { CD:50.354 } ::sumAvg: 2.155 atom: 26 15P-HD2 D 3.728 ambi=2 { CD:50.354 } atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } :: atom: 27 15P-HD3 D 3.525 ambi=2 { CD:50.354 } atom: 15 14F-HA A 4.559 ambi=1 { CA:58.25 } ::sumAvg: 2.155 atom: 16 14F-HB2 B 2.952 ambi=2 { CB:39.95 } atom: 25 15P-QG G 1.9525 ambi=2 { CG:27.14 } :: atom: 17 14F-HB3 B 2.941 ambi=2 { CB:39.95 } atom: 25 15P-QG G 1.9525 ambi=2 { CG:27.14 } ::sumAvg: 4.745 atom: 25 15P-QG G 1.9525 ambi=2 { CG:27.14 } atom: 16 14F-HB2 B 2.952 ambi=2 { CB:39.95 } :: atom: 25 15P-QG G 1.9525 ambi=2 { CG:27.14 } atom: 17 14F-HB3 B 2.941 ambi=2 { CB:39.95 } ::sumAvg: 4.745 atom: 16 14F-HB2 B 2.952 ambi=2 { CB:39.95 } atom: 26 15P-HD2 D 3.728 ambi=2 { CD:50.354 } :: atom: 16 14F-HB2 B 2.952 ambi=2 { CB:39.95 } atom: 27 15P-HD3 D 3.525 ambi=2 { CD:50.354 } :: atom: 17 14F-HB3 B 2.941 ambi=2 { CB:39.95 } atom: 26 15P-HD2 D 3.728 ambi=2 { CD:50.354 } :: atom: 17 14F-HB3 B 2.941 ambi=2 { CB:39.95 } atom: 27 15P-HD3 D 3.525 ambi=2 { CD:50.354 } ::sumAvg: 3.205 atom: 26 15P-HD2 D 3.728 ambi=2 { CD:50.354 } atom: 16 14F-HB2 B 2.952 ambi=2 { CB:39.95 } :: atom: 27 15P-HD3 D 3.525 ambi=2 { CD:50.354 } atom: 16 14F-HB2 B 2.952 ambi=2 { CB:39.95 } :: atom: 26 15P-HD2 D 3.728 ambi=2 { CD:50.354 } atom: 17 14F-HB3 B 2.941 ambi=2 { CB:39.95 } :: atom: 27 15P-HD3 D 3.525 ambi=2 { CD:50.354 } atom: 17 14F-HB3 B 2.941 ambi=2 { CB:39.95 } ::sumAvg: 3.205 atom: 21 15P-HA A 4.492 ambi=1 { CA:63.047 } atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } ::sumAvg: 4.48 atom: 33 16T-HA A 4.614 ambi=1 { CA:59.526 } atom: 22 15P-HB2 B 2.228 ambi=2 { CB:31.81 } :: atom: 33 16T-HA A 4.614 ambi=1 { CA:59.526 } atom: 23 15P-HB3 B 1.89 ambi=2 { CB:31.81 } ::sumAvg: 4.39 atom: 22 15P-HB2 B 2.228 ambi=2 { CB:31.81 } atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } :: atom: 23 15P-HB3 B 1.89 ambi=2 { CB:31.81 } atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } ::sumAvg: 4.475 atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } atom: 22 15P-HB2 B 2.228 ambi=2 { CB:31.81 } :: atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } atom: 23 15P-HB3 B 1.89 ambi=2 { CB:31.81 } ::sumAvg: 4.475 atom: 33 16T-HA A 4.614 ambi=1 { CA:59.526 } atom: 43 17P-HG2 G 1.882 ambi=2 { CG:27.154 } :: atom: 33 16T-HA A 4.614 ambi=1 { CA:59.526 } atom: 44 17P-HG3 G 1.822 ambi=2 { CG:27.154 } ::sumAvg: 4.82 atom: 33 16T-HA A 4.614 ambi=1 { CA:59.526 } atom: 45 17P-HD2 D 3.788 ambi=2 { CD:50.797 } :: atom: 33 16T-HA A 4.614 ambi=1 { CA:59.526 } atom: 46 17P-HD3 D 3.621 ambi=2 { CD:50.797 } ::sumAvg: 2.885 atom: 40 17P-HA A 4.36 ambi=1 { CA:63.321 } atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } ::sumAvg: 4.71 atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } ::sumAvg: 4.715 atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } atom: 35 16T-HG2 G2 1.246 ambi=1 { CG2:21.307 } ::sumAvg: 4.715 atom: 40 17P-HA A 4.36 ambi=1 { CA:63.321 } atom: 53 18F-HB2 B 3.126 ambi=2 { CB:39.165 } :: atom: 40 17P-HA A 4.36 ambi=1 { CA:63.321 } atom: 54 18F-HB3 B 3.012 ambi=2 { CB:39.165 } ::sumAvg: 4.665 atom: 53 18F-HB2 B 3.126 ambi=2 { CB:39.165 } atom: 40 17P-HA A 4.36 ambi=1 { CA:63.321 } :: atom: 54 18F-HB3 B 3.012 ambi=2 { CB:39.165 } atom: 40 17P-HA A 4.36 ambi=1 { CA:63.321 } ::sumAvg: 4.665 atom: 40 17P-HA A 4.36 ambi=1 { CA:63.321 } atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } ::sumAvg: 3.83 atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } atom: 40 17P-HA A 4.36 ambi=1 { CA:63.321 } ::sumAvg: 3.83 atom: 41 17P-HB2 B 2.151 ambi=2 { CB:31.68 } atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } :: atom: 42 17P-HB3 B 1.639 ambi=2 { CB:31.68 } atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } ::sumAvg: 3.845 atom: 43 17P-HG2 G 1.882 ambi=2 { CG:27.154 } atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } :: atom: 44 17P-HG3 G 1.822 ambi=2 { CG:27.154 } atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } ::sumAvg: 4.46 atom: 52 18F-HA A 4.589 ambi=1 { CA:57.648 } atom: 68 19G-QA A 3.939 ambi=2 { CA:45.1 } ::sumAvg: 4.06 atom: 68 19G-QA A 3.939 ambi=2 { CA:45.1 } atom: 52 18F-HA A 4.589 ambi=1 { CA:57.648 } ::sumAvg: 4.06 atom: 53 18F-HB2 B 3.126 ambi=2 { CB:39.165 } atom: 68 19G-QA A 3.939 ambi=2 { CA:45.1 } :: atom: 54 18F-HB3 B 3.012 ambi=2 { CB:39.165 } atom: 68 19G-QA A 3.939 ambi=2 { CA:45.1 } ::sumAvg: 4.215 atom: 68 19G-QA A 3.939 ambi=2 { CA:45.1 } atom: 53 18F-HB2 B 3.126 ambi=2 { CB:39.165 } :: atom: 68 19G-QA A 3.939 ambi=2 { CA:45.1 } atom: 54 18F-HB3 B 3.012 ambi=2 { CB:39.165 } ::sumAvg: 4.215 atom: 68 19G-QA A 3.939 ambi=2 { CA:45.1 } atom: 55 18F-QD D 7.208 ambi=3 { CD1:131.723 } ::sumAvg: 4.22 atom: 73 20G-QA A 3.9595 ambi=2 { CA:45.056 } atom: 77 21S-HA A 4.523 ambi=1 { CA:57.951 } ::sumAvg: 4 atom: 73 20G-QA A 3.9595 ambi=2 { CA:45.056 } atom: 83 22L-H N 8.435 ambi=1 { N:123.998 } ::sumAvg: 4.455 atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } atom: 73 20G-QA A 3.9595 ambi=2 { CA:45.056 } :: atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } atom: 73 20G-QA A 3.9595 ambi=2 { CA:45.056 } ::sumAvg: 4.95 atom: 85 22L-HB2 B 1.623 ambi=2 { CB:42.229 } atom: 77 21S-HA A 4.523 ambi=1 { CA:57.951 } :: atom: 86 22L-HB3 B 1.576 ambi=2 { CB:42.229 } atom: 77 21S-HA A 4.523 ambi=1 { CA:57.951 } ::sumAvg: 4.965 atom: 77 21S-HA A 4.523 ambi=1 { CA:57.951 } atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } :: atom: 77 21S-HA A 4.523 ambi=1 { CA:57.951 } atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } ::sumAvg: 4.345 atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } atom: 77 21S-HA A 4.523 ambi=1 { CA:57.951 } :: atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } atom: 77 21S-HA A 4.523 ambi=1 { CA:57.951 } ::sumAvg: 4.345 atom: 79 21S-HB3 B 3.878 ambi=2 { CB:63.946 } atom: 84 22L-HA A 4.302 ambi=1 { CA:55.846 } ::sumAvg: 4.985 atom: 84 22L-HA A 4.302 ambi=1 { CA:55.846 } atom: 79 21S-HB3 B 3.878 ambi=2 { CB:63.946 } ::sumAvg: 4.985 atom: 78 21S-HB2 B 3.926 ambi=2 { CB:63.946 } atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } :: atom: 78 21S-HB2 B 3.926 ambi=2 { CB:63.946 } atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } :: atom: 79 21S-HB3 B 3.878 ambi=2 { CB:63.946 } atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } :: atom: 79 21S-HB3 B 3.878 ambi=2 { CB:63.946 } atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } ::sumAvg: 4.695 atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } atom: 78 21S-HB2 B 3.926 ambi=2 { CB:63.946 } :: atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } atom: 78 21S-HB2 B 3.926 ambi=2 { CB:63.946 } :: atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } atom: 79 21S-HB3 B 3.878 ambi=2 { CB:63.946 } :: atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } atom: 79 21S-HB3 B 3.878 ambi=2 { CB:63.946 } ::sumAvg: 4.695 atom: 84 22L-HA A 4.302 ambi=1 { CA:55.846 } atom: 103 24T-H N 8.01 ambi=1 { N:117.799 } ::sumAvg: 4.745 atom: 85 22L-HB2 B 1.623 ambi=2 { CB:42.229 } atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } :: atom: 86 22L-HB3 B 1.576 ambi=2 { CB:42.229 } atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } ::sumAvg: 4.705 atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } atom: 85 22L-HB2 B 1.623 ambi=2 { CB:42.229 } :: atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } atom: 86 22L-HB3 B 1.576 ambi=2 { CB:42.229 } ::sumAvg: 4.705 atom: 85 22L-HB2 B 1.623 ambi=2 { CB:42.229 } atom: 103 24T-H N 8.01 ambi=1 { N:117.799 } :: atom: 86 22L-HB3 B 1.576 ambi=2 { CB:42.229 } atom: 103 24T-H N 8.01 ambi=1 { N:117.799 } ::sumAvg: 4.705 atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } :: atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } ::sumAvg: 4.755 atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } atom: 88 22L-HD1 D1 0.855 ambi=2 { CD1:24.73 } :: atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } atom: 89 22L-HD2 D2 0.786 ambi=2 { CD2:23.661 } ::sumAvg: 4.755 atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } atom: 96 23D-H N 8.291 ambi=1 { N:120.385 } ::sumAvg: 4.88 atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } ::sumAvg: 4.56 atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } ::sumAvg: 4.56 atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } atom: 111 25W-H N 7.78 ambi=1 { N:118.659 } ::sumAvg: 3.765 atom: 97 23D-HA A 4.494 ambi=1 { CA:54.981 } atom: 130 26A-H N 7.101 ambi=1 { N:117.054 } ::sumAvg: 3.705 atom: 98 23D-HB2 B 2.671 ambi=2 { CB:41.19 } atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } :: atom: 99 23D-HB3 B 2.599 ambi=2 { CB:41.19 } atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } ::sumAvg: 4.825 atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } atom: 98 23D-HB2 B 2.671 ambi=2 { CB:41.19 } :: atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } atom: 99 23D-HB3 B 2.599 ambi=2 { CB:41.19 } ::sumAvg: 4.825 atom: 98 23D-HB2 B 2.671 ambi=2 { CB:41.19 } atom: 111 25W-H N 7.78 ambi=1 { N:118.659 } :: atom: 99 23D-HB3 B 2.599 ambi=2 { CB:41.19 } atom: 111 25W-H N 7.78 ambi=1 { N:118.659 } ::sumAvg: 4.855 atom: 98 23D-HB2 B 2.671 ambi=2 { CB:41.19 } atom: 130 26A-H N 7.101 ambi=1 { N:117.054 } :: atom: 99 23D-HB3 B 2.599 ambi=2 { CB:41.19 } atom: 130 26A-H N 7.101 ambi=1 { N:117.054 } ::sumAvg: 4.205 atom: 98 23D-HB2 B 2.671 ambi=2 { CB:41.19 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } :: atom: 99 23D-HB3 B 2.599 ambi=2 { CB:41.19 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } ::sumAvg: 4.735 atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 98 23D-HB2 B 2.671 ambi=2 { CB:41.19 } :: atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 99 23D-HB3 B 2.599 ambi=2 { CB:41.19 } ::sumAvg: 4.735 atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } atom: 103 24T-H N 8.01 ambi=1 { N:117.799 } ::sumAvg: 4.98 atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 103 24T-H N 8.01 ambi=1 { N:117.799 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 103 24T-H N 8.01 ambi=1 { N:117.799 } ::sumAvg: 4.635 atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 103 24T-H N 8.01 ambi=1 { N:117.799 } ::sumAvg: 4.27 atom: 104 24T-HA A 3.77 ambi=1 { CA:64.59 } atom: 130 26A-H N 7.101 ambi=1 { N:117.054 } ::sumAvg: 4.065 atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } ::sumAvg: 4.305 atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } ::sumAvg: 4.305 atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } atom: 116 25W-HE1 E1 9.986 ambi=1 { NE1:127.944 } ::sumAvg: 4.615 atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } atom: 130 26A-H N 7.101 ambi=1 { N:117.054 } ::sumAvg: 4.46 atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 4.56 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 105 24T-HB B 3.69 ambi=1 { CB:69.62 } ::sumAvg: 4.56 atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } ::sumAvg: 4.34 atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } :: atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } ::sumAvg: 4.925 atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } ::sumAvg: 4.925 atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } atom: 130 26A-H N 7.101 ambi=1 { N:117.054 } ::sumAvg: 4.895 atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } ::sumAvg: 4.595 atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 106 24T-HG2 G2 0.465 ambi=1 { CG2:21.036 } ::sumAvg: 4.595 atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 111 25W-H N 7.78 ambi=1 { N:118.659 } ::sumAvg: 4.865 atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } atom: 111 25W-H N 7.78 ambi=1 { N:118.659 } :: atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } atom: 111 25W-H N 7.78 ambi=1 { N:118.659 } ::sumAvg: 4.52 atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } ::sumAvg: 4.81 atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } ::sumAvg: 4.81 atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } ::sumAvg: 3.685 atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } :: atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } atom: 112 25W-HA A 4.012 ambi=1 { CA:57.837 } ::sumAvg: 3.685 atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } ::sumAvg: 4.37 atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } :: atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } ::sumAvg: 4.37 atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } ::sumAvg: 4.445 atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } :: atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } ::sumAvg: 4.445 atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 972 111V-HB B 2.204 ambi=1 { CB:31.065 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 972 111V-HB B 2.204 ambi=1 { CB:31.065 } ::sumAvg: 3.64 atom: 972 111V-HB B 2.204 ambi=1 { CB:31.065 } atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } :: atom: 972 111V-HB B 2.204 ambi=1 { CB:31.065 } atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } ::sumAvg: 3.64 atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } ::sumAvg: 4.6 atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 113 25W-HB2 B 3.371 ambi=2 { CB:28.842 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 114 25W-HB3 B 2.873 ambi=2 { CB:28.842 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } ::sumAvg: 3.36 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 116 25W-HE1 E1 9.986 ambi=1 { NE1:127.944 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 116 25W-HE1 E1 9.986 ambi=1 { NE1:127.944 } ::sumAvg: 4.46 atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.785 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } ::sumAvg: 4.785 atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 4.055 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } ::sumAvg: 4.055 atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 4.135 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } ::sumAvg: 4.135 atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } :: atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } ::sumAvg: 4.95 atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } :: atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } ::sumAvg: 4.95 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } ::sumAvg: 4.455 atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } ::sumAvg: 3.165 atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } :: atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } ::sumAvg: 3.165 atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } ::sumAvg: 3.32 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 117 25W-HE3 E3 7.17 ambi=1 { CE3:120.38 } ::sumAvg: 3.32 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 118 25W-HZ2 Z2 7.49 ambi=1 { CZ2:114.19 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 118 25W-HZ2 Z2 7.49 ambi=1 { CZ2:114.19 } ::sumAvg: 3.32 atom: 118 25W-HZ2 Z2 7.49 ambi=1 { CZ2:114.19 } atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } :: atom: 118 25W-HZ2 Z2 7.49 ambi=1 { CZ2:114.19 } atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } ::sumAvg: 3.87 atom: 118 25W-HZ2 Z2 7.49 ambi=1 { CZ2:114.19 } atom: 915 103Q-H N 8.61 ambi=1 { N:119.785 } ::sumAvg: 4.78 atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.785 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } ::sumAvg: 4.785 atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } ::sumAvg: 4.02 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } ::sumAvg: 4.02 atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } ::sumAvg: 4.67 atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } :: atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } ::sumAvg: 4.93 atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } :: atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } ::sumAvg: 4.93 atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } ::sumAvg: 4.905 atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } ::sumAvg: 4.905 atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } :: atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } ::sumAvg: 4.315 atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 119 25W-HZ3 Z3 6.706 ambi=1 { CZ3:120.789 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } ::sumAvg: 4.47 atom: 120 25W-HH2 H2 7.272 ambi=1 { CH2:123.832 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } ::sumAvg: 4.525 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 120 25W-HH2 H2 7.272 ambi=1 { CH2:123.832 } ::sumAvg: 4.525 atom: 120 25W-HH2 H2 7.272 ambi=1 { CH2:123.832 } atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } :: atom: 120 25W-HH2 H2 7.272 ambi=1 { CH2:123.832 } atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } ::sumAvg: 3.92 atom: 120 25W-HH2 H2 7.272 ambi=1 { CH2:123.832 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } ::sumAvg: 4.195 atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 120 25W-HH2 H2 7.272 ambi=1 { CH2:123.832 } ::sumAvg: 4.195 atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 138 27I-HB B 1.813 ambi=1 { CB:38.55 } ::sumAvg: 4.775 atom: 139 27I-HG12 G1 1.945 ambi=2 { CG1:30.205 } atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } :: atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } ::sumAvg: 3.69 atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 4.73 atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } ::sumAvg: 4.73 atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 972 111V-HB B 2.204 ambi=1 { CB:31.065 } ::sumAvg: 4 atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } ::sumAvg: 4.36 atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } ::sumAvg: 4.735 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 131 26A-HA A 3.949 ambi=1 { CA:52.102 } ::sumAvg: 4.735 atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } ::sumAvg: 4.115 atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } ::sumAvg: 4.115 atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 138 27I-HB B 1.813 ambi=1 { CB:38.55 } ::sumAvg: 4.735 atom: 138 27I-HB B 1.813 ambi=1 { CB:38.55 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } ::sumAvg: 4.735 atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 139 27I-HG12 G1 1.945 ambi=2 { CG1:30.205 } :: atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } ::sumAvg: 4.615 atom: 139 27I-HG12 G1 1.945 ambi=2 { CG1:30.205 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } :: atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } ::sumAvg: 4.615 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } ::sumAvg: 4.545 atom: 972 111V-HB B 2.204 ambi=1 { CB:31.065 } atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } ::sumAvg: 4.025 atom: 132 26A-HB B 1.31 ambi=1 { CB:18.84 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } ::sumAvg: 2.455 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 136 27I-H N 8.687 ambi=1 { N:125.107 } ::sumAvg: 4.91 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 136 27I-H N 8.687 ambi=1 { N:125.107 } ::sumAvg: 4.995 atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } ::sumAvg: 4.455 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } ::sumAvg: 4.455 atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } ::sumAvg: 4.915 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } ::sumAvg: 4.915 atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } ::sumAvg: 4.81 atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 4.815 atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } ::sumAvg: 2.585 atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } ::sumAvg: 2.585 atom: 181 31E-HG2 G 2.071 ambi=2 { CG:37.524 } atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } :: atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } ::sumAvg: 3.265 atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } atom: 187 32R-H N 8.382 ambi=1 { N:117.523 } ::sumAvg: 4.935 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 137 27I-HA A 4.332 ambi=1 { CA:61.43 } ::sumAvg: 4.53 atom: 138 27I-HB B 1.813 ambi=1 { CB:38.55 } atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } ::sumAvg: 4.88 atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } atom: 138 27I-HB B 1.813 ambi=1 { CB:38.55 } ::sumAvg: 4.88 atom: 138 27I-HB B 1.813 ambi=1 { CB:38.55 } atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } ::sumAvg: 4.14 atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } atom: 138 27I-HB B 1.813 ambi=1 { CB:38.55 } ::sumAvg: 4.14 atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 139 27I-HG12 G1 1.945 ambi=2 { CG1:30.205 } :: atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } ::sumAvg: 3.915 atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 181 31E-HG2 G 2.071 ambi=2 { CG:37.524 } :: atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } ::sumAvg: 4.54 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } ::sumAvg: 4.505 atom: 139 27I-HG12 G1 1.945 ambi=2 { CG1:30.205 } atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } :: atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } ::sumAvg: 3.095 atom: 139 27I-HG12 G1 1.945 ambi=2 { CG1:30.205 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 139 27I-HG12 G1 1.945 ambi=2 { CG1:30.205 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } :: atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 4.43 atom: 140 27I-HG13 G1 0.825 ambi=2 { CG1:30.205 } atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } ::sumAvg: 3.095 atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } ::sumAvg: 3.98 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 3.98 atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } ::sumAvg: 4.955 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 4.955 atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 4.565 atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 4.435 atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 4.435 atom: 181 31E-HG2 G 2.071 ambi=2 { CG:37.524 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } :: atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 3.77 atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } ::sumAvg: 3.215 atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 3.215 atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } atom: 760 89S-HB2 B 3.864 ambi=2 { CB:59.544 } :: atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } atom: 761 89S-HB3 B 3.851 ambi=2 { CB:59.544 } ::sumAvg: 4.77 atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 4.925 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 141 27I-HG2 G2 1.116 ambi=1 { CG2:18.796 } ::sumAvg: 4.57 atom: 181 31E-HG2 G 2.071 ambi=2 { CG:37.524 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } :: atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 4.79 atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 760 89S-HB2 B 3.864 ambi=2 { CB:59.544 } :: atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 761 89S-HB3 B 3.851 ambi=2 { CB:59.544 } ::sumAvg: 4.23 atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 3.355 atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } ::sumAvg: 3.635 atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 3.635 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 4.64 atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 3.1 atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 3.665 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 3.665 atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } :: atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 4.38 atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 4.755 atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } ::sumAvg: 3.74 atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } ::sumAvg: 3.74 atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 1014 114Q-HE21 E2 7.454 ambi=2 { NE2:111.589 } :: atom: 142 27I-HD1 D1 1.116 ambi=1 { CD1:14.225 } atom: 1015 114Q-HE22 E2 6.891 ambi=2 { NE2:111.589 } ::sumAvg: 4.5 atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } atom: 149 28T-H N 8.981 ambi=1 { N:118.938 } :: atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } atom: 149 28T-H N 8.981 ambi=1 { N:118.938 } ::sumAvg: 4.875 atom: 181 31E-HG2 G 2.071 ambi=2 { CG:37.524 } atom: 149 28T-H N 8.981 ambi=1 { N:118.938 } :: atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } atom: 149 28T-H N 8.981 ambi=1 { N:118.938 } ::sumAvg: 2.835 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } ::sumAvg: 4.36 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 159 29V-HB B 2.018 ambi=1 { CB:31.799 } ::sumAvg: 4.925 atom: 159 29V-HB B 2.018 ambi=1 { CB:31.799 } atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } ::sumAvg: 4.925 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } :: atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } ::sumAvg: 4.025 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } ::sumAvg: 4.025 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 167 30E-H N 8.432 ambi=1 { N:119.89 } ::sumAvg: 4.415 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 4.645 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } ::sumAvg: 4.405 atom: 150 28T-HA A 4.76 ambi=1 { CA:60.685 } atom: 187 32R-H N 8.382 ambi=1 { N:117.523 } ::sumAvg: 4.975 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } :: atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } ::sumAvg: 4.24 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } ::sumAvg: 4.24 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 167 30E-H N 8.432 ambi=1 { N:119.89 } ::sumAvg: 3.535 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } :: atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } ::sumAvg: 3.795 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 3.205 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } ::sumAvg: 3.56 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 181 31E-HG2 G 2.071 ambi=2 { CG:37.524 } :: atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } ::sumAvg: 3.57 atom: 151 28T-HB B 4.768 ambi=1 { CB:71.252 } atom: 187 32R-H N 8.382 ambi=1 { N:117.523 } ::sumAvg: 4.945 atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } ::sumAvg: 4.505 atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } ::sumAvg: 4.505 atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 159 29V-HB B 2.018 ambi=1 { CB:31.799 } ::sumAvg: 3.88 atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } :: atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } ::sumAvg: 3.73 atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } :: atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } ::sumAvg: 3.73 atom: 171 30E-HG2 G 2.305 ambi=2 { CG:36.777 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } :: atom: 172 30E-HG3 G 2.27 ambi=2 { CG:36.777 } atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } ::sumAvg: 4.83 atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 3.28 atom: 152 28T-HG2 G2 1.218 ambi=1 { CG2:21.44 } atom: 187 32R-H N 8.382 ambi=1 { N:117.523 } ::sumAvg: 4.6 atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } atom: 157 29V-H N 8.612 ambi=1 { N:119.411 } :: atom: 190 32R-HB3 B 1.764 ambi=2 { CB:28.87 } atom: 157 29V-H N 8.612 ambi=1 { N:119.411 } ::sumAvg: 4.955 atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } ::sumAvg: 4.79 atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } ::sumAvg: 4.79 atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 4.375 atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 4.655 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 158 29V-HA A 3.532 ambi=1 { CA:66.349 } ::sumAvg: 4.655 atom: 159 29V-HB B 2.018 ambi=1 { CB:31.799 } atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } ::sumAvg: 4.97 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } ::sumAvg: 3.545 atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } :: atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } :: atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } :: atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } ::sumAvg: 4.21 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 171 30E-HG2 G 2.305 ambi=2 { CG:36.777 } :: atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 172 30E-HG3 G 2.27 ambi=2 { CG:36.777 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 171 30E-HG2 G 2.305 ambi=2 { CG:36.777 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 172 30E-HG3 G 2.27 ambi=2 { CG:36.777 } ::sumAvg: 4.305 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 4.835 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } :: atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 190 32R-HB3 B 1.764 ambi=2 { CB:28.87 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 190 32R-HB3 B 1.764 ambi=2 { CB:28.87 } ::sumAvg: 3.805 atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } :: atom: 190 32R-HB3 B 1.764 ambi=2 { CB:28.87 } atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } :: atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } :: atom: 190 32R-HB3 B 1.764 ambi=2 { CB:28.87 } atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } ::sumAvg: 3.805 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 194 33A-H N 7.919 ambi=1 { N:119.982 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 194 33A-H N 7.919 ambi=1 { N:119.982 } ::sumAvg: 3.945 atom: 160 29V-HG1 G1 0.947 ambi=2 { CG1:20.665 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } :: atom: 161 29V-HG2 G2 0.927 ambi=2 { CG2:20.677 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 3.315 atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 4.77 atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } ::sumAvg: 4.77 atom: 168 30E-HA A 4.011 ambi=1 { CA:59.597 } atom: 200 34K-H N 7.212 ambi=1 { N:119.567 } ::sumAvg: 4.385 atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } :: atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 4.145 atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } :: atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } ::sumAvg: 4.145 atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } :: atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } ::sumAvg: 4.61 atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } :: atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } ::sumAvg: 4.61 atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } ::sumAvg: 4.08 atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } :: atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 4.58 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 169 30E-HB2 B 2.009 ambi=2 { CB:28.912 } :: atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 170 30E-HB3 B 1.886 ambi=2 { CB:28.912 } ::sumAvg: 4.58 atom: 171 30E-HG2 G 2.305 ambi=2 { CG:36.777 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } :: atom: 172 30E-HG3 G 2.27 ambi=2 { CG:36.777 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 4.97 atom: 171 30E-HG2 G 2.305 ambi=2 { CG:36.777 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } :: atom: 172 30E-HG3 G 2.27 ambi=2 { CG:36.777 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 4.41 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 4.895 atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 177 31E-H N 7.737 ambi=1 { N:120.821 } ::sumAvg: 4.895 atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 194 33A-H N 7.919 ambi=1 { N:119.982 } ::sumAvg: 4.425 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 4.965 atom: 204 34K-HG2 G 1.578 ambi=2 { CG:24.545 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } :: atom: 205 34K-HG3 G 1.516 ambi=2 { CG:24.545 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 3.365 atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } ::sumAvg: 3.645 atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 3.645 atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 209 34K-QE E 3.0055 ambi=2 { CE:42.087 } ::sumAvg: 4.44 atom: 209 34K-QE E 3.0055 ambi=2 { CE:42.087 } atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } ::sumAvg: 4.44 atom: 178 31E-HA A 3.604 ambi=1 { CA:58.718 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } ::sumAvg: 4.665 atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } ::sumAvg: 3.88 atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } ::sumAvg: 4.09 atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } ::sumAvg: 4.09 atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 194 33A-H N 7.919 ambi=1 { N:119.982 } ::sumAvg: 4.79 atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } :: atom: 180 31E-QB B 1.4675 ambi=2 { CB:30.666 } atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } ::sumAvg: 4.47 atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.315 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 182 31E-HG3 G 2.341 ambi=2 { CG:37.524 } ::sumAvg: 4.315 atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } ::sumAvg: 3.98 atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } ::sumAvg: 3.855 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 188 32R-HA A 3.998 ambi=1 { CA:57.356 } ::sumAvg: 3.855 atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } atom: 195 33A-HA A 4.248 ambi=1 { CA:55.007 } :: atom: 190 32R-HB3 B 1.764 ambi=2 { CB:28.87 } atom: 195 33A-HA A 4.248 ambi=1 { CA:55.007 } ::sumAvg: 4.465 atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 4.325 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 189 32R-HB2 B 1.889 ambi=2 { CB:28.87 } ::sumAvg: 4.325 atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 194 33A-H N 7.919 ambi=1 { N:119.982 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 194 33A-H N 7.919 ambi=1 { N:119.982 } ::sumAvg: 4.495 atom: 195 33A-HA A 4.248 ambi=1 { CA:55.007 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } ::sumAvg: 4.26 atom: 195 33A-HA A 4.248 ambi=1 { CA:55.007 } atom: 230 37Q-H N 7.673 ambi=1 { N:120.072 } ::sumAvg: 4.79 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 201 34K-HA A 4.194 ambi=1 { CA:58.852 } ::sumAvg: 3.875 atom: 201 34K-HA A 4.194 ambi=1 { CA:58.852 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 3.875 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } :: atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } ::sumAvg: 4.46 atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 4.46 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } ::sumAvg: 4.585 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 223 36D-H N 9.292 ambi=1 { N:118.831 } ::sumAvg: 4.63 atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } :: atom: 226 36D-HB3 B 2.65 ambi=2 { CB:39.889 } atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } ::sumAvg: 4.08 atom: 196 33A-HB B 1.458 ambi=1 { CB:17.601 } atom: 230 37Q-H N 7.673 ambi=1 { N:120.072 } ::sumAvg: 4.76 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 200 34K-H N 7.212 ambi=1 { N:119.567 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 200 34K-H N 7.212 ambi=1 { N:119.567 } ::sumAvg: 4.94 atom: 201 34K-HA A 4.194 ambi=1 { CA:58.852 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 4.745 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 201 34K-HA A 4.194 ambi=1 { CA:58.852 } ::sumAvg: 4.745 atom: 201 34K-HA A 4.194 ambi=1 { CA:58.852 } atom: 223 36D-H N 9.292 ambi=1 { N:118.831 } ::sumAvg: 4.17 atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 4.255 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } ::sumAvg: 4.255 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } :: atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } ::sumAvg: 4.905 atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } :: atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } ::sumAvg: 4.96 atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } :: atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } ::sumAvg: 4.96 atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 202 34K-HB2 B 1.98 ambi=2 { CB:31.598 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 203 34K-HB3 B 1.922 ambi=2 { CB:31.598 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } ::sumAvg: 4.93 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 204 34K-HG2 G 1.578 ambi=2 { CG:24.545 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 205 34K-HG3 G 1.516 ambi=2 { CG:24.545 } ::sumAvg: 4.86 atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 204 34K-HG2 G 1.578 ambi=2 { CG:24.545 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 204 34K-HG2 G 1.578 ambi=2 { CG:24.545 } :: atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 205 34K-HG3 G 1.516 ambi=2 { CG:24.545 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 205 34K-HG3 G 1.516 ambi=2 { CG:24.545 } ::sumAvg: 4.675 atom: 204 34K-HG2 G 1.578 ambi=2 { CG:24.545 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 204 34K-HG2 G 1.578 ambi=2 { CG:24.545 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } :: atom: 205 34K-HG3 G 1.516 ambi=2 { CG:24.545 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 205 34K-HG3 G 1.516 ambi=2 { CG:24.545 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } ::sumAvg: 4.02 atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 4.215 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } ::sumAvg: 4.215 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } ::sumAvg: 4.975 atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 242 38Q-H N 8.329 ambi=1 { N:120.847 } ::sumAvg: 4.87 atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } ::sumAvg: 4.335 atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } ::sumAvg: 4.335 atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } :: atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } ::sumAvg: 4.095 atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } ::sumAvg: 4.095 atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 207 34K-QD D 1.7475 ambi=2 { CD:28.78 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } ::sumAvg: 3.665 atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 209 34K-QE E 3.0055 ambi=2 { CE:42.087 } ::sumAvg: 4.82 atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } :: atom: 226 36D-HB3 B 2.65 ambi=2 { CB:39.889 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } ::sumAvg: 4.725 atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 216 35H-H N 8.814 ambi=1 { N:122.252 } ::sumAvg: 4.9 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } ::sumAvg: 4.755 atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 4.755 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 230 37Q-H N 7.673 ambi=1 { N:120.072 } ::sumAvg: 4.685 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 242 38Q-H N 8.329 ambi=1 { N:120.847 } ::sumAvg: 3.975 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } ::sumAvg: 3.305 atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } :: atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 3.305 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } ::sumAvg: 4.25 atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 4.25 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } ::sumAvg: 4.285 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 255 39F-H N 9.453 ambi=1 { N:123.507 } ::sumAvg: 3.87 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } ::sumAvg: 4.46 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 4.46 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } ::sumAvg: 3.68 atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 3.68 atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } :: atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } ::sumAvg: 3.555 atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 217 35H-HA A 4.923 ambi=1 { CA:57.821 } ::sumAvg: 3.555 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } ::sumAvg: 4.485 atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } ::sumAvg: 4.485 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } :: atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } ::sumAvg: 4.605 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } ::sumAvg: 4.605 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } ::sumAvg: 3.165 atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } ::sumAvg: 3.165 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } ::sumAvg: 4.15 atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } ::sumAvg: 4.15 atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } :: atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } :: atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } ::sumAvg: 3.965 atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 218 35H-HB2 B 3.583 ambi=2 { CB:29.95 } :: atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 219 35H-HB3 B 3.49 ambi=2 { CB:29.95 } ::sumAvg: 3.965 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 223 36D-H N 9.292 ambi=1 { N:118.831 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 223 36D-H N 9.292 ambi=1 { N:118.831 } ::sumAvg: 4.88 atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } atom: 242 38Q-H N 8.329 ambi=1 { N:120.847 } ::sumAvg: 4.655 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } ::sumAvg: 2.965 atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } atom: 268 40H-H N 8.096 ambi=1 { N:114.319 } ::sumAvg: 4.04 atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } ::sumAvg: 4.575 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 224 36D-HA A 4.454 ambi=1 { CA:57.305 } ::sumAvg: 4.575 atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } atom: 232 37Q-HB2 B 2.371 ambi=2 { CB:28.315 } :: atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } atom: 233 37Q-HB3 B 2.36 ambi=2 { CB:28.315 } ::sumAvg: 4.515 atom: 232 37Q-HB2 B 2.371 ambi=2 { CB:28.315 } atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } :: atom: 233 37Q-HB3 B 2.36 ambi=2 { CB:28.315 } atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } ::sumAvg: 4.515 atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } atom: 235 37Q-HG3 G 2.474 ambi=2 { CG:33.72 } ::sumAvg: 4.81 atom: 235 37Q-HG3 G 2.474 ambi=2 { CG:33.72 } atom: 225 36D-HB2 B 2.89 ambi=2 { CB:39.889 } ::sumAvg: 4.81 atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 230 37Q-H N 7.673 ambi=1 { N:120.072 } :: atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 230 37Q-H N 7.673 ambi=1 { N:120.072 } ::sumAvg: 4.815 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 230 37Q-H N 7.673 ambi=1 { N:120.072 } ::sumAvg: 4.83 atom: 231 37Q-HA A 4.241 ambi=1 { CA:59.019 } atom: 255 39F-H N 9.453 ambi=1 { N:123.507 } ::sumAvg: 4.505 atom: 231 37Q-HA A 4.241 ambi=1 { CA:59.019 } atom: 268 40H-H N 8.096 ambi=1 { N:114.319 } ::sumAvg: 3.505 atom: 231 37Q-HA A 4.241 ambi=1 { CA:59.019 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } ::sumAvg: 4.65 atom: 232 37Q-HB2 B 2.371 ambi=2 { CB:28.315 } atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } :: atom: 233 37Q-HB3 B 2.36 ambi=2 { CB:28.315 } atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } ::sumAvg: 4.22 atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } atom: 232 37Q-HB2 B 2.371 ambi=2 { CB:28.315 } :: atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } atom: 233 37Q-HB3 B 2.36 ambi=2 { CB:28.315 } ::sumAvg: 4.22 atom: 232 37Q-HB2 B 2.371 ambi=2 { CB:28.315 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } :: atom: 233 37Q-HB3 B 2.36 ambi=2 { CB:28.315 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } ::sumAvg: 4.75 atom: 232 37Q-HB2 B 2.371 ambi=2 { CB:28.315 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } :: atom: 233 37Q-HB3 B 2.36 ambi=2 { CB:28.315 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } ::sumAvg: 4.625 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 232 37Q-HB2 B 2.371 ambi=2 { CB:28.315 } :: atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 233 37Q-HB3 B 2.36 ambi=2 { CB:28.315 } ::sumAvg: 4.625 atom: 234 37Q-HG2 G 2.662 ambi=2 { CG:33.72 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } :: atom: 235 37Q-HG3 G 2.474 ambi=2 { CG:33.72 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } ::sumAvg: 4.75 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 234 37Q-HG2 G 2.662 ambi=2 { CG:33.72 } :: atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 235 37Q-HG3 G 2.474 ambi=2 { CG:33.72 } ::sumAvg: 4.75 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 242 38Q-H N 8.329 ambi=1 { N:120.847 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 242 38Q-H N 8.329 ambi=1 { N:120.847 } ::sumAvg: 4.6 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 242 38Q-H N 8.329 ambi=1 { N:120.847 } ::sumAvg: 4.795 atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 4.82 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } ::sumAvg: 4.82 atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } atom: 268 40H-H N 8.096 ambi=1 { N:114.319 } ::sumAvg: 4.175 atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } ::sumAvg: 4.835 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } ::sumAvg: 4.835 atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } ::sumAvg: 3.445 atom: 243 38Q-HA A 4.04 ambi=1 { CA:58.734 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } ::sumAvg: 4.94 atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 4.18 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } ::sumAvg: 4.18 atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } :: atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } ::sumAvg: 4.335 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } ::sumAvg: 4.335 atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } :: atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } ::sumAvg: 4.9 atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.235 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } :: atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } ::sumAvg: 4.235 atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } :: atom: 245 38Q-HB3 B 2.145 ambi=2 { CB:28.549 } atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } ::sumAvg: 4.515 atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } ::sumAvg: 3.93 atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 244 38Q-HB2 B 2.872 ambi=2 { CB:28.549 } ::sumAvg: 3.93 atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } :: atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } ::sumAvg: 4.76 atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } ::sumAvg: 4.615 atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 246 38Q-HG2 G 2.643 ambi=2 { CG:35.038 } :: atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 247 38Q-HG3 G 2.578 ambi=2 { CG:35.038 } ::sumAvg: 4.615 atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 248 38Q-HE21 E2 7.276 ambi=2 { NE2:109.968 } :: atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 249 38Q-HE22 E2 6.896 ambi=2 { NE2:109.968 } ::sumAvg: 4.68 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 255 39F-H N 9.453 ambi=1 { N:123.507 } ::sumAvg: 4.38 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 255 39F-H N 9.453 ambi=1 { N:123.507 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 255 39F-H N 9.453 ambi=1 { N:123.507 } ::sumAvg: 4.7 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } ::sumAvg: 4.795 atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 4.795 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } ::sumAvg: 4.155 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 2.86 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 2.86 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } ::sumAvg: 3.75 atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 3.75 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 4.875 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 4.875 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } ::sumAvg: 4.86 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 4.86 atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 4.465 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 256 39F-HA A 2.811 ambi=1 { CA:61.602 } ::sumAvg: 4.465 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } ::sumAvg: 4.145 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } ::sumAvg: 4.945 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.26 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } :: atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } ::sumAvg: 4.26 atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } :: atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 4.545 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 257 39F-HB2 B 2.983 ambi=2 { CB:38.799 } :: atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 258 39F-HB3 B 2.937 ambi=2 { CB:38.799 } ::sumAvg: 4.545 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } ::sumAvg: 4.685 atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 4.685 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } ::sumAvg: 4.625 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 3.88 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 3.88 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 3.855 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 3.855 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } :: atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } ::sumAvg: 4.035 atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } :: atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 4.035 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 3.415 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 3.415 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } ::sumAvg: 4.125 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 4.125 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } :: atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } ::sumAvg: 4.575 atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 4.575 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 3.225 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 3.225 atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.625 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 259 39F-HD1 D1 6.263 ambi=1 { CD1:130.876 } ::sumAvg: 4.625 atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.765 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } ::sumAvg: 4.765 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } ::sumAvg: 4.485 atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } ::sumAvg: 3.845 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } ::sumAvg: 3.845 atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } ::sumAvg: 4.895 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } ::sumAvg: 4.895 atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 4.55 atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } :: atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } ::sumAvg: 4.55 atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.395 atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 3.53 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } ::sumAvg: 3.53 atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.7 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 260 39F-HE1 E1 6.793 ambi=1 { CE1:131.308 } ::sumAvg: 4.7 atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } :: atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 3.44 atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 4.525 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 4.525 atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 4.585 atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } :: atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 4.585 atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.7 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 4.975 atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.995 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 4.995 atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 4.12 atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } ::sumAvg: 4.875 atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 4.875 atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } :: atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 4.87 atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } :: atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } ::sumAvg: 3.865 atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } :: atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } atom: 261 39F-HZ Z 7.13 ambi=1 { CZ:129.11 } ::sumAvg: 3.865 atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 268 40H-H N 8.096 ambi=1 { N:114.319 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 268 40H-H N 8.096 ambi=1 { N:114.319 } ::sumAvg: 4.905 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 268 40H-H N 8.096 ambi=1 { N:114.319 } ::sumAvg: 4.85 atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } atom: 278 41S-HA A 4.3 ambi=1 { CA:60.851 } ::sumAvg: 4.715 atom: 278 41S-HA A 4.3 ambi=1 { CA:60.851 } atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } ::sumAvg: 4.715 atom: 269 40H-HA A 3.884 ambi=1 { CA:59.91 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } ::sumAvg: 3.975 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } :: atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } ::sumAvg: 4.34 atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } ::sumAvg: 4.34 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } ::sumAvg: 4.58 atom: 271 40H-QB B 3.211 ambi=2 { CB:29.558 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 4.69 atom: 272 40H-HD2 D2 7.136 ambi=1 { CD2:120.385 } atom: 278 41S-HA A 4.3 ambi=1 { CA:60.851 } ::sumAvg: 4.905 atom: 278 41S-HA A 4.3 ambi=1 { CA:60.851 } atom: 272 40H-HD2 D2 7.136 ambi=1 { CD2:120.385 } ::sumAvg: 4.905 atom: 272 40H-HD2 D2 7.136 ambi=1 { CD2:120.385 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 4.7 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 272 40H-HD2 D2 7.136 ambi=1 { CD2:120.385 } ::sumAvg: 4.7 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 272 40H-HD2 D2 7.136 ambi=1 { CD2:120.385 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 272 40H-HD2 D2 7.136 ambi=1 { CD2:120.385 } ::sumAvg: 4.795 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } ::sumAvg: 4.505 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } ::sumAvg: 4.655 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 277 41S-H N 7.818 ambi=1 { N:116.677 } ::sumAvg: 4.895 atom: 278 41S-HA A 4.3 ambi=1 { CA:60.851 } atom: 298 43K-HA A 3.877 ambi=1 { CA:56.035 } ::sumAvg: 4.965 atom: 298 43K-HA A 3.877 ambi=1 { CA:56.035 } atom: 278 41S-HA A 4.3 ambi=1 { CA:60.851 } ::sumAvg: 4.965 atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.89 atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.465 atom: 279 41S-HB2 B 4.038 ambi=2 { CB:62.612 } atom: 297 43K-H N 7.345 ambi=1 { N:110.393 } :: atom: 280 41S-HB3 B 4.011 ambi=2 { CB:62.612 } atom: 297 43K-H N 7.345 ambi=1 { N:110.393 } ::sumAvg: 4.935 atom: 298 43K-HA A 3.877 ambi=1 { CA:56.035 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } ::sumAvg: 4.72 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } ::sumAvg: 4.85 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 284 42L-H N 7.079 ambi=1 { N:121.868 } ::sumAvg: 3.545 atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } atom: 299 43K-HB2 B 1.671 ambi=2 { CB:28.886 } :: atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } atom: 300 43K-HB3 B 1.614 ambi=2 { CB:28.886 } ::sumAvg: 4.375 atom: 299 43K-HB2 B 1.671 ambi=2 { CB:28.886 } atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } :: atom: 300 43K-HB3 B 1.614 ambi=2 { CB:28.886 } atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } ::sumAvg: 4.375 atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } atom: 303 43K-HD2 D 1.61 ambi=2 { CD:28.546 } :: atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } atom: 304 43K-HD3 D 1.665 ambi=2 { CD:28.546 } ::sumAvg: 4.965 atom: 303 43K-HD2 D 1.61 ambi=2 { CD:28.546 } atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } :: atom: 304 43K-HD3 D 1.665 ambi=2 { CD:28.546 } atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } ::sumAvg: 4.965 atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 4.98 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } ::sumAvg: 4.98 atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } :: atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } ::sumAvg: 4.79 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 285 42L-HA A 4.071 ambi=1 { CA:54.685 } ::sumAvg: 4.79 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 298 43K-HA A 3.877 ambi=1 { CA:56.035 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 298 43K-HA A 3.877 ambi=1 { CA:56.035 } ::sumAvg: 4.99 atom: 298 43K-HA A 3.877 ambi=1 { CA:56.035 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 298 43K-HA A 3.877 ambi=1 { CA:56.035 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.99 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } ::sumAvg: 4.525 atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 4.315 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.315 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } ::sumAvg: 3.36 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } ::sumAvg: 4.9 atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.9 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } ::sumAvg: 4.825 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } :: atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.825 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } :: atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } ::sumAvg: 4.815 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.815 atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } :: atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } :: atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } ::sumAvg: 4.905 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 286 42L-HB2 B 1.419 ambi=2 { CB:40.874 } :: atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 287 42L-HB3 B 1.114 ambi=2 { CB:40.874 } ::sumAvg: 4.905 atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 3.885 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } ::sumAvg: 3.885 atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.675 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } ::sumAvg: 4.675 atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } :: atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } ::sumAvg: 3.47 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } ::sumAvg: 3.47 atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } atom: 439 57F-HD1 D1 7.402 ambi=1 { CD1:132.16 } ::sumAvg: 4.825 atom: 439 57F-HD1 D1 7.402 ambi=1 { CD1:132.16 } atom: 288 42L-HG G 1.311 ambi=1 { CG:25.843 } ::sumAvg: 4.825 atom: 299 43K-HB2 B 1.671 ambi=2 { CB:28.886 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 300 43K-HB3 B 1.614 ambi=2 { CB:28.886 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 299 43K-HB2 B 1.671 ambi=2 { CB:28.886 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 300 43K-HB3 B 1.614 ambi=2 { CB:28.886 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.735 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } ::sumAvg: 4.665 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.665 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.77 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 2.58 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 3.305 atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.18 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } :: atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } ::sumAvg: 3.78 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 3.78 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 4.515 atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.18 atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 3.41 atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.905 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 289 42L-HD1 D1 0.561 ambi=2 { CD1:21.931 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 290 42L-HD2 D2 0.155 ambi=2 { CD2:25.85 } ::sumAvg: 4.905 atom: 299 43K-HB2 B 1.671 ambi=2 { CB:28.886 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 299 43K-HB2 B 1.671 ambi=2 { CB:28.886 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } :: atom: 300 43K-HB3 B 1.614 ambi=2 { CB:28.886 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 300 43K-HB3 B 1.614 ambi=2 { CB:28.886 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } ::sumAvg: 4.415 atom: 301 43K-HG2 G 1.278 ambi=2 { CG:24.1 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 301 43K-HG2 G 1.278 ambi=2 { CG:24.1 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } :: atom: 302 43K-HG3 G 1.258 ambi=2 { CG:24.1 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 302 43K-HG3 G 1.258 ambi=2 { CG:24.1 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } ::sumAvg: 4.52 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 326 45I-HB B 1.895 ambi=1 { CB:39.143 } ::sumAvg: 4.59 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 329 45I-HG2 G2 0.971 ambi=1 { CG2:17.097 } ::sumAvg: 4.505 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } ::sumAvg: 4.425 atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } ::sumAvg: 4.425 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 337 46S-H N 9.512 ambi=1 { N:124.158 } ::sumAvg: 4.87 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.11 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } ::sumAvg: 3.7 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } ::sumAvg: 4.945 atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } ::sumAvg: 4.945 atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 399 53Q-HE21 E2 7.318 ambi=2 { NE2:112.104 } :: atom: 313 44P-HA A 4.239 ambi=1 { CA:62.424 } atom: 400 53Q-HE22 E2 6.665 ambi=2 { NE2:112.104 } ::sumAvg: 4.55 atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } atom: 325 45I-HA A 4.337 ambi=1 { CA:60.17 } :: atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } atom: 325 45I-HA A 4.337 ambi=1 { CA:60.17 } ::sumAvg: 4.65 atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } atom: 337 46S-H N 9.512 ambi=1 { N:124.158 } :: atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } atom: 337 46S-H N 9.512 ambi=1 { N:124.158 } ::sumAvg: 4.015 atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } :: atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 3.02 atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } :: atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 4.44 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 314 44P-HB2 B 1.432 ambi=2 { CB:32.413 } :: atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 315 44P-HB3 B 1.219 ambi=2 { CB:32.413 } ::sumAvg: 4.44 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 3.685 atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } :: atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } ::sumAvg: 3.685 atom: 317 44P-QG G 1.664 ambi=2 { CG:26.724 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.935 atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } :: atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 4.145 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 318 44P-HD2 D 3.415 ambi=2 { CD:50.357 } :: atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 319 44P-HD3 D 3.223 ambi=2 { CD:50.357 } ::sumAvg: 4.145 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 324 45I-H N 8.586 ambi=1 { N:120.985 } ::sumAvg: 3.77 atom: 325 45I-HA A 4.337 ambi=1 { CA:60.17 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.925 atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } atom: 326 45I-HB B 1.895 ambi=1 { CB:39.143 } :: atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } atom: 326 45I-HB B 1.895 ambi=1 { CB:39.143 } ::sumAvg: 4.97 atom: 326 45I-HB B 1.895 ambi=1 { CB:39.143 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.61 atom: 326 45I-HB B 1.895 ambi=1 { CB:39.143 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.81 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 326 45I-HB B 1.895 ambi=1 { CB:39.143 } ::sumAvg: 4.81 atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } atom: 327 45I-HG12 G1 1.647 ambi=2 { CG1:26.725 } :: atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } atom: 327 45I-HG12 G1 1.647 ambi=2 { CG1:26.725 } :: atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } atom: 328 45I-HG13 G1 1.184 ambi=2 { CG1:26.725 } :: atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } atom: 328 45I-HG13 G1 1.184 ambi=2 { CG1:26.725 } ::sumAvg: 4.875 atom: 329 45I-HG2 G2 0.971 ambi=1 { CG2:17.097 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.135 atom: 329 45I-HG2 G2 0.971 ambi=1 { CG2:17.097 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.735 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 329 45I-HG2 G2 0.971 ambi=1 { CG2:17.097 } ::sumAvg: 4.735 atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.4 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } ::sumAvg: 4.4 atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 4.58 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } ::sumAvg: 4.58 atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } :: atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } ::sumAvg: 4.64 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 330 45I-HD1 D1 0.905 ambi=1 { CD1:12.279 } ::sumAvg: 4.64 atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } atom: 337 46S-H N 9.512 ambi=1 { N:124.158 } :: atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } atom: 337 46S-H N 9.512 ambi=1 { N:124.158 } ::sumAvg: 4.575 atom: 338 46S-HA A 4.055 ambi=1 { CA:58.483 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 4.495 atom: 338 46S-HA A 4.055 ambi=1 { CA:58.483 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.61 atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } :: atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 4.605 atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } :: atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 3.945 atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } :: atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } ::sumAvg: 4.775 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 339 46S-HB2 B 4.34 ambi=2 { CB:62.174 } :: atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 340 46S-HB3 B 4.052 ambi=2 { CB:62.174 } ::sumAvg: 4.775 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 344 47G-H N 8.555 ambi=1 { N:162.194 } ::sumAvg: 4.795 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 344 47G-H N 8.555 ambi=1 { N:162.194 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 344 47G-H N 8.555 ambi=1 { N:162.194 } ::sumAvg: 4.66 atom: 353 48F-HD1 D1 7.057 ambi=1 { CD1:132.339 } atom: 344 47G-H N 8.555 ambi=1 { N:162.194 } ::sumAvg: 4.825 atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } :: atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 4.43 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 4.43 atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } :: atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } ::sumAvg: 4.85 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 345 47G-HA2 A 4.02 ambi=2 { CA:44.328 } :: atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 346 47G-HA3 A 3.531 ambi=2 { CA:44.328 } ::sumAvg: 4.85 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.775 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 349 48F-H N 7.71 ambi=1 { N:115.641 } ::sumAvg: 4.42 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.45 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 4.45 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } :: atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } ::sumAvg: 4.525 atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 4.525 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 3.735 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 3.735 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.095 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 4.095 atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } :: atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } ::sumAvg: 4.355 atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } :: atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } atom: 350 48F-HA A 5.783 ambi=1 { CA:56.732 } ::sumAvg: 4.355 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.545 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } ::sumAvg: 4.545 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 4.98 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } ::sumAvg: 4.98 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.55 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } ::sumAvg: 4.55 atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } :: atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.94 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 351 48F-HB2 B 2.955 ambi=2 { CB:43.784 } :: atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 352 48F-HB3 B 2.82 ambi=2 { CB:43.784 } ::sumAvg: 4.94 atom: 353 48F-HD1 D1 7.057 ambi=1 { CD1:132.339 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.89 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 353 48F-HD1 D1 7.057 ambi=1 { CD1:132.339 } ::sumAvg: 4.89 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 360 49I-H N 9.141 ambi=1 { N:114.692 } ::sumAvg: 4.715 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 360 49I-H N 9.141 ambi=1 { N:114.692 } ::sumAvg: 4.35 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } ::sumAvg: 4.515 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.515 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } ::sumAvg: 4.375 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.375 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } :: atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } ::sumAvg: 4.405 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } :: atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 4.405 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } :: atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } ::sumAvg: 3.795 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } ::sumAvg: 3.795 atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 399 53Q-HE21 E2 7.318 ambi=2 { NE2:112.104 } :: atom: 361 49I-HA A 4.908 ambi=1 { CA:59.368 } atom: 400 53Q-HE22 E2 6.665 ambi=2 { NE2:112.104 } ::sumAvg: 4.315 atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } ::sumAvg: 4.24 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } ::sumAvg: 4.24 atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } ::sumAvg: 4.735 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } ::sumAvg: 4.735 atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 393 53Q-H N 7.81 ambi=1 { N:118.935 } ::sumAvg: 4.68 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } ::sumAvg: 3.475 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } ::sumAvg: 3.635 atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 399 53Q-HE21 E2 7.318 ambi=2 { NE2:112.104 } :: atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 400 53Q-HE22 E2 6.665 ambi=2 { NE2:112.104 } ::sumAvg: 4.68 atom: 362 49I-HB B 1.821 ambi=1 { CB:39.945 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 4.24 atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } ::sumAvg: 4.315 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } :: atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } ::sumAvg: 4.315 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } ::sumAvg: 4.355 atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.39 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } :: atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } ::sumAvg: 4.39 atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 722 85Q-HE21 E2 7.06 ambi=2 { NE2:110.121 } :: atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 723 85Q-HE22 E2 6.891 ambi=2 { NE2:110.121 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 722 85Q-HE21 E2 7.06 ambi=2 { NE2:110.121 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 723 85Q-HE22 E2 6.891 ambi=2 { NE2:110.121 } ::sumAvg: 3.695 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } ::sumAvg: 4.155 atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } :: atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } ::sumAvg: 4.645 atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } atom: 363 49I-HG12 G1 1.481 ambi=2 { CG1:24.633 } :: atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } atom: 364 49I-HG13 G1 1.222 ambi=2 { CG1:24.633 } ::sumAvg: 4.645 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } :: atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 3.425 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } ::sumAvg: 3.885 atom: 365 49I-HG2 G2 0.067 ambi=1 { CG2:16.212 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 4.955 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } ::sumAvg: 3.9 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 3.9 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } :: atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.395 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 4.82 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } ::sumAvg: 4.685 atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.685 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 3.945 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 4.53 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.53 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 4.145 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.145 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.2 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.125 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.125 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } ::sumAvg: 4.415 atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.415 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } ::sumAvg: 4.785 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 4.785 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 3.175 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 3.175 atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } ::sumAvg: 3.845 atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } atom: 366 49I-HD1 D1 0.064 ambi=1 { CD1:16.207 } ::sumAvg: 3.845 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 373 50T-H N 8.7 ambi=1 { N:112.658 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 373 50T-H N 8.7 ambi=1 { N:112.658 } ::sumAvg: 3.265 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } :: atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } ::sumAvg: 4.295 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } ::sumAvg: 4.295 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 386 52D-H N 8.225 ambi=1 { N:119.404 } ::sumAvg: 4.55 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 393 53Q-H N 7.81 ambi=1 { N:118.935 } ::sumAvg: 4.895 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } ::sumAvg: 4.635 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } ::sumAvg: 3.475 atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } :: atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } ::sumAvg: 3.425 atom: 688 82R-HG2 G 1.345 ambi=2 { CG:25.844 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } :: atom: 689 82R-HG3 G 1.265 ambi=2 { CG:25.844 } atom: 374 50T-HA A 4.473 ambi=1 { CA:60.914 } ::sumAvg: 4.49 atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } :: atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } ::sumAvg: 4.965 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } ::sumAvg: 4.965 atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } atom: 386 52D-H N 8.225 ambi=1 { N:119.404 } ::sumAvg: 3.93 atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } atom: 388 52D-HB2 B 2.522 ambi=2 { CB:40.304 } :: atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } atom: 389 52D-HB3 B 2.458 ambi=2 { CB:40.304 } ::sumAvg: 4.59 atom: 375 50T-HB B 4.772 ambi=1 { CB:70.829 } atom: 393 53Q-H N 7.81 ambi=1 { N:118.935 } ::sumAvg: 4.15 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } :: atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } ::sumAvg: 4.33 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } ::sumAvg: 4.33 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 386 52D-H N 8.225 ambi=1 { N:119.404 } ::sumAvg: 3.16 atom: 388 52D-HB2 B 2.522 ambi=2 { CB:40.304 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } :: atom: 389 52D-HB3 B 2.458 ambi=2 { CB:40.304 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } ::sumAvg: 3.585 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } ::sumAvg: 4.23 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } ::sumAvg: 4.23 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } ::sumAvg: 4.41 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 4.69 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } ::sumAvg: 4.545 atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } :: atom: 376 50T-HG2 G2 1.374 ambi=1 { CG2:21.44 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } ::sumAvg: 4.87 atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } atom: 381 51G-H N 8.778 ambi=1 { N:108.204 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 381 51G-H N 8.778 ambi=1 { N:108.204 } ::sumAvg: 4.46 atom: 688 82R-HG2 G 1.345 ambi=2 { CG:25.844 } atom: 381 51G-H N 8.778 ambi=1 { N:108.204 } :: atom: 689 82R-HG3 G 1.265 ambi=2 { CG:25.844 } atom: 381 51G-H N 8.778 ambi=1 { N:108.204 } ::sumAvg: 4.765 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } ::sumAvg: 4.335 atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } :: atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } ::sumAvg: 4.335 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 393 53Q-H N 7.81 ambi=1 { N:118.935 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 393 53Q-H N 7.81 ambi=1 { N:118.935 } ::sumAvg: 4.515 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 3.385 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 4.285 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 596 72W-HZ2 Z2 7.204 ambi=1 { CZ2:114.19 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 596 72W-HZ2 Z2 7.204 ambi=1 { CZ2:114.19 } ::sumAvg: 3.665 atom: 596 72W-HZ2 Z2 7.204 ambi=1 { CZ2:114.19 } atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } :: atom: 596 72W-HZ2 Z2 7.204 ambi=1 { CZ2:114.19 } atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } ::sumAvg: 3.665 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } ::sumAvg: 3.58 atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } :: atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } ::sumAvg: 3.58 atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } :: atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } ::sumAvg: 4.575 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 382 51G-HA2 A 3.79 ambi=2 { CA:48.31 } :: atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 383 51G-HA3 A 3.713 ambi=2 { CA:48.31 } ::sumAvg: 4.575 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 386 52D-H N 8.225 ambi=1 { N:119.404 } :: atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } atom: 386 52D-H N 8.225 ambi=1 { N:119.404 } ::sumAvg: 4.85 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 386 52D-H N 8.225 ambi=1 { N:119.404 } ::sumAvg: 4.61 atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 4.5 atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.9 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } ::sumAvg: 4.9 atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 414 55R-HB2 B 1.786 ambi=2 { CB:30.224 } :: atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 415 55R-HB3 B 1.62 ambi=2 { CB:30.224 } ::sumAvg: 3.335 atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } :: atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } ::sumAvg: 3.855 atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } :: atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } ::sumAvg: 3.855 atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } ::sumAvg: 3.575 atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } atom: 387 52D-HA A 4.216 ambi=1 { CA:57.344 } ::sumAvg: 3.575 atom: 388 52D-HB2 B 2.522 ambi=2 { CB:40.304 } atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } :: atom: 389 52D-HB3 B 2.458 ambi=2 { CB:40.304 } atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } ::sumAvg: 4.28 atom: 388 52D-HB2 B 2.522 ambi=2 { CB:40.304 } atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } :: atom: 389 52D-HB3 B 2.458 ambi=2 { CB:40.304 } atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } ::sumAvg: 4.63 atom: 388 52D-HB2 B 2.522 ambi=2 { CB:40.304 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } :: atom: 389 52D-HB3 B 2.458 ambi=2 { CB:40.304 } atom: 406 54A-H N 8.293 ambi=1 { N:120.858 } ::sumAvg: 4.955 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 393 53Q-H N 7.81 ambi=1 { N:118.935 } ::sumAvg: 4.195 atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.99 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } ::sumAvg: 4.99 atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } atom: 412 55R-H N 8.744 ambi=1 { N:115.211 } ::sumAvg: 4.485 atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } atom: 425 56N-H N 8.056 ambi=1 { N:116.543 } ::sumAvg: 3.44 atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } :: atom: 394 53Q-HA A 3.969 ambi=1 { CA:58.673 } atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } ::sumAvg: 2.9 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } :: atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } ::sumAvg: 4.42 atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } :: atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } ::sumAvg: 4.42 atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.51 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } ::sumAvg: 4.51 atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 395 53Q-HB2 B 2.387 ambi=2 { CB:29.794 } :: atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 396 53Q-HB3 B 1.744 ambi=2 { CB:29.794 } ::sumAvg: 4.795 atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } :: atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.96 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 397 53Q-HG2 G 2.508 ambi=2 { CG:34.599 } :: atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 398 53Q-HG3 G 2.368 ambi=2 { CG:34.599 } ::sumAvg: 4.96 atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } atom: 425 56N-H N 8.056 ambi=1 { N:116.543 } ::sumAvg: 4.47 atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } ::sumAvg: 4.27 atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } ::sumAvg: 4.49 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 407 54A-HA A 3.642 ambi=1 { CA:55.243 } ::sumAvg: 4.49 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } ::sumAvg: 4.84 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 425 56N-H N 8.056 ambi=1 { N:116.543 } ::sumAvg: 4.44 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 435 57F-H N 7.567 ambi=1 { N:121.111 } ::sumAvg: 4.705 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } :: atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } ::sumAvg: 4.39 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.39 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } ::sumAvg: 4.63 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } :: atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } ::sumAvg: 4.365 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.365 atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.15 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 4.35 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } ::sumAvg: 4.08 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.08 atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 4.135 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 408 54A-HB B 1.67 ambi=1 { CB:19.448 } ::sumAvg: 4.135 atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 412 55R-H N 8.744 ambi=1 { N:115.211 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 412 55R-H N 8.744 ambi=1 { N:115.211 } ::sumAvg: 4.91 atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } ::sumAvg: 4.79 atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } ::sumAvg: 4.79 atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } atom: 435 57F-H N 7.567 ambi=1 { N:121.111 } ::sumAvg: 4.48 atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } ::sumAvg: 3.77 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } ::sumAvg: 4.155 atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } atom: 455 59F-H N 8.51 ambi=1 { N:120.834 } ::sumAvg: 4.02 atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } ::sumAvg: 4.805 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } ::sumAvg: 4.45 atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } :: atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } ::sumAvg: 3.7 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 413 55R-HA A 3.795 ambi=1 { CA:60.628 } ::sumAvg: 3.7 atom: 414 55R-HB2 B 1.786 ambi=2 { CB:30.224 } atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } :: atom: 415 55R-HB3 B 1.62 ambi=2 { CB:30.224 } atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } ::sumAvg: 4.195 atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 414 55R-HB2 B 1.786 ambi=2 { CB:30.224 } :: atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 415 55R-HB3 B 1.62 ambi=2 { CB:30.224 } ::sumAvg: 4.195 atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 414 55R-HB2 B 1.786 ambi=2 { CB:30.224 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 414 55R-HB2 B 1.786 ambi=2 { CB:30.224 } :: atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 415 55R-HB3 B 1.62 ambi=2 { CB:30.224 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 415 55R-HB3 B 1.62 ambi=2 { CB:30.224 } ::sumAvg: 4.79 atom: 414 55R-HB2 B 1.786 ambi=2 { CB:30.224 } atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } :: atom: 414 55R-HB2 B 1.786 ambi=2 { CB:30.224 } atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } :: atom: 415 55R-HB3 B 1.62 ambi=2 { CB:30.224 } atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } :: atom: 415 55R-HB3 B 1.62 ambi=2 { CB:30.224 } atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } ::sumAvg: 4.28 atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } :: atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } ::sumAvg: 4.795 atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } :: atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } ::sumAvg: 4.795 atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } :: atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } ::sumAvg: 4.97 atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } :: atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } ::sumAvg: 4.835 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 416 55R-HG2 G 1.525 ambi=2 { CG:29.342 } :: atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 417 55R-HG3 G 1.437 ambi=2 { CG:29.342 } ::sumAvg: 4.835 atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } ::sumAvg: 4.225 atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } ::sumAvg: 4.835 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } ::sumAvg: 4.835 atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } :: atom: 419 55R-QD D 2.7775 ambi=2 { CD:43.399 } atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } ::sumAvg: 4.83 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 425 56N-H N 8.056 ambi=1 { N:116.543 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 425 56N-H N 8.056 ambi=1 { N:116.543 } ::sumAvg: 4.905 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 425 56N-H N 8.056 ambi=1 { N:116.543 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 425 56N-H N 8.056 ambi=1 { N:116.543 } ::sumAvg: 4.985 atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } ::sumAvg: 4.67 atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } :: atom: 426 56N-HA A 4.47 ambi=1 { CA:56.091 } atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } ::sumAvg: 4.935 atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } :: atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } ::sumAvg: 4.275 atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } ::sumAvg: 4.37 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } ::sumAvg: 4.37 atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } ::sumAvg: 4.845 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 427 56N-HB2 B 2.9 ambi=2 { CB:38.069 } :: atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 428 56N-HB3 B 2.769 ambi=2 { CB:38.069 } ::sumAvg: 4.845 atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 455 59F-H N 8.51 ambi=1 { N:120.834 } ::sumAvg: 4.46 atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } :: atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } ::sumAvg: 3.55 atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 468 60Q-HG2 G 2.666 ambi=2 { CG:33.72 } :: atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 469 60Q-HG3 G 2.56 ambi=2 { CG:33.72 } ::sumAvg: 3.655 atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 470 60Q-HE21 E2 7.48 ambi=2 { NE2:111.531 } :: atom: 436 57F-HA A 4.517 ambi=1 { CA:61.373 } atom: 471 60Q-HE22 E2 6.893 ambi=2 { NE2:111.531 } ::sumAvg: 4.76 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 455 59F-H N 8.51 ambi=1 { N:120.834 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 455 59F-H N 8.51 ambi=1 { N:120.834 } ::sumAvg: 4.77 atom: 437 57F-HB2 B 3.252 ambi=2 { CB:39.518 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } :: atom: 438 57F-HB3 B 3.109 ambi=2 { CB:39.518 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 4.8 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 439 57F-HD1 D1 7.402 ambi=1 { CD1:132.16 } ::sumAvg: 4.635 atom: 439 57F-HD1 D1 7.402 ambi=1 { CD1:132.16 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 4.615 atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } atom: 439 57F-HD1 D1 7.402 ambi=1 { CD1:132.16 } ::sumAvg: 4.615 atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } ::sumAvg: 4.91 atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } ::sumAvg: 4.91 atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 4.295 atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } atom: 440 57F-HE1 E1 7.63 ambi=1 { CE1:132.111 } ::sumAvg: 4.295 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } ::sumAvg: 4.76 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } ::sumAvg: 4.1 atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } atom: 446 58F-H N 8.995 ambi=1 { N:119.594 } ::sumAvg: 4.455 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } ::sumAvg: 3.41 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } :: atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } ::sumAvg: 3.325 atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } :: atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } ::sumAvg: 3.325 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 494 63L-HD1 D1 0.874 ambi=2 { CD1:26.296 } :: atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 495 63L-HD2 D2 0.902 ambi=2 { CD2:23.644 } ::sumAvg: 4.54 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } :: atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } ::sumAvg: 3.335 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.795 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } ::sumAvg: 4.795 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } ::sumAvg: 3.815 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } ::sumAvg: 3.815 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } ::sumAvg: 3.37 atom: 447 58F-HA A 4.501 ambi=1 { CA:57.19 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 3.035 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } ::sumAvg: 4.325 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } ::sumAvg: 4.605 atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } :: atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } :: atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } ::sumAvg: 4.605 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } :: atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } ::sumAvg: 4.555 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } ::sumAvg: 3.57 atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } :: atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } ::sumAvg: 3.57 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } :: atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } ::sumAvg: 3.17 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } :: atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } ::sumAvg: 3.17 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } ::sumAvg: 4.56 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } :: atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } ::sumAvg: 4.56 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } ::sumAvg: 4.85 atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } :: atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } ::sumAvg: 4.85 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 4.37 atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } :: atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } ::sumAvg: 4.37 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.115 atom: 448 58F-HB2 B 3.382 ambi=2 { CB:37.236 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } :: atom: 449 58F-HB3 B 3.288 ambi=2 { CB:37.236 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } ::sumAvg: 4.27 atom: 450 58F-HD1 D1 7.24 ambi=1 { CD1:130.429 } atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } ::sumAvg: 4.95 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 450 58F-HD1 D1 7.24 ambi=1 { CD1:130.429 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 450 58F-HD1 D1 7.24 ambi=1 { CD1:130.429 } ::sumAvg: 4.79 atom: 450 58F-HD1 D1 7.24 ambi=1 { CD1:130.429 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 4.9 atom: 450 58F-HD1 D1 7.24 ambi=1 { CD1:130.429 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } ::sumAvg: 4.66 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 450 58F-HD1 D1 7.24 ambi=1 { CD1:130.429 } ::sumAvg: 4.66 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 455 59F-H N 8.51 ambi=1 { N:120.834 } ::sumAvg: 4.955 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 455 59F-H N 8.51 ambi=1 { N:120.834 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 455 59F-H N 8.51 ambi=1 { N:120.834 } ::sumAvg: 3.275 atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } atom: 484 62G-H N 7.478 ambi=1 { N:108.189 } ::sumAvg: 3.74 atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } :: atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } ::sumAvg: 4.625 atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } :: atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } ::sumAvg: 4.625 atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } :: atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } ::sumAvg: 4.46 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } ::sumAvg: 4.46 atom: 456 59F-HA A 4.296 ambi=1 { CA:60.456 } atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } ::sumAvg: 4.26 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 465 60Q-HA A 4.056 ambi=1 { CA:57.133 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 465 60Q-HA A 4.056 ambi=1 { CA:57.133 } ::sumAvg: 4.165 atom: 465 60Q-HA A 4.056 ambi=1 { CA:57.133 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 465 60Q-HA A 4.056 ambi=1 { CA:57.133 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } ::sumAvg: 4.165 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } :: atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } ::sumAvg: 4.545 atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } :: atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } ::sumAvg: 4.545 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } ::sumAvg: 4.905 atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } :: atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } ::sumAvg: 4.565 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 457 59F-HB2 B 3.403 ambi=2 { CB:38.914 } :: atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 458 59F-HB3 B 3.269 ambi=2 { CB:38.914 } ::sumAvg: 4.565 atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } atom: 514 65Q-HA A 4.194 ambi=1 { CA:61.18 } ::sumAvg: 4.285 atom: 514 65Q-HA A 4.194 ambi=1 { CA:61.18 } atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } ::sumAvg: 4.285 atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } :: atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } ::sumAvg: 4.76 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } ::sumAvg: 4.76 atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } ::sumAvg: 4.515 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 459 59F-HD1 D1 7.274 ambi=1 { CD1:131.735 } ::sumAvg: 4.515 atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 464 60Q-H N 7.652 ambi=1 { N:116.464 } :: atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } atom: 464 60Q-H N 7.652 ambi=1 { N:116.464 } ::sumAvg: 4.83 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 464 60Q-H N 7.652 ambi=1 { N:116.464 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 464 60Q-H N 7.652 ambi=1 { N:116.464 } ::sumAvg: 4.73 atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } atom: 478 61S-HA A 3.985 ambi=1 { CA:60.571 } :: atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } atom: 478 61S-HA A 3.985 ambi=1 { CA:60.571 } ::sumAvg: 4.365 atom: 478 61S-HA A 3.985 ambi=1 { CA:60.571 } atom: 466 60Q-HB2 B 2.239 ambi=2 { CB:27.771 } :: atom: 478 61S-HA A 3.985 ambi=1 { CA:60.571 } atom: 467 60Q-HB3 B 2.015 ambi=2 { CB:27.771 } ::sumAvg: 4.365 atom: 485 62G-HA2 A 4.115 ambi=2 { CA:45.445 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } :: atom: 486 62G-HA3 A 3.699 ambi=2 { CA:45.445 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } ::sumAvg: 4.795 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } ::sumAvg: 4.555 atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } ::sumAvg: 4.55 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 477 61S-H N 7.823 ambi=1 { N:113.448 } ::sumAvg: 4.865 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 478 61S-HA A 3.985 ambi=1 { CA:60.571 } ::sumAvg: 3.755 atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 489 63L-H N 7.282 ambi=1 { N:120.356 } :: atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } atom: 489 63L-H N 7.282 ambi=1 { N:120.356 } ::sumAvg: 3.47 atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } :: atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } ::sumAvg: 3.515 atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } :: atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } ::sumAvg: 4.75 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } :: atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } ::sumAvg: 4.75 atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } :: atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 4.21 atom: 479 61S-HB2 B 3.973 ambi=2 { CB:65.277 } atom: 876 99L-HG G 1.792 ambi=1 { CG:27.161 } :: atom: 480 61S-HB3 B 3.741 ambi=2 { CB:65.277 } atom: 876 99L-HG G 1.792 ambi=1 { CG:27.161 } ::sumAvg: 4.21 atom: 490 63L-HA A 4.471 ambi=1 { CA:52.971 } atom: 484 62G-H N 7.478 ambi=1 { N:108.189 } ::sumAvg: 4.915 atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } atom: 484 62G-H N 7.478 ambi=1 { N:108.189 } :: atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } atom: 484 62G-H N 7.478 ambi=1 { N:108.189 } ::sumAvg: 4.345 atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 484 62G-H N 7.478 ambi=1 { N:108.189 } ::sumAvg: 4.6 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 484 62G-H N 7.478 ambi=1 { N:108.189 } ::sumAvg: 4.42 atom: 486 62G-HA3 A 3.699 ambi=2 { CA:45.445 } atom: 490 63L-HA A 4.471 ambi=1 { CA:52.971 } ::sumAvg: 4.445 atom: 490 63L-HA A 4.471 ambi=1 { CA:52.971 } atom: 486 62G-HA3 A 3.699 ambi=2 { CA:45.445 } ::sumAvg: 4.445 atom: 485 62G-HA2 A 4.115 ambi=2 { CA:45.445 } atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } :: atom: 486 62G-HA3 A 3.699 ambi=2 { CA:45.445 } atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } ::sumAvg: 4.635 atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 485 62G-HA2 A 4.115 ambi=2 { CA:45.445 } :: atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 486 62G-HA3 A 3.699 ambi=2 { CA:45.445 } ::sumAvg: 4.635 atom: 507 64P-HD2 D 3.985 ambi=2 { CD:50.356 } atom: 489 63L-H N 7.282 ambi=1 { N:120.356 } :: atom: 508 64P-HD3 D 3.327 ambi=2 { CD:50.356 } atom: 489 63L-H N 7.282 ambi=1 { N:120.356 } ::sumAvg: 4.7 atom: 505 64P-HG2 G 2.167 ambi=2 { CG:27.922 } atom: 490 63L-HA A 4.471 ambi=1 { CA:52.971 } :: atom: 506 64P-HG3 G 2.137 ambi=2 { CG:27.922 } atom: 490 63L-HA A 4.471 ambi=1 { CA:52.971 } ::sumAvg: 4.095 atom: 490 63L-HA A 4.471 ambi=1 { CA:52.971 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 4.355 atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } :: atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } ::sumAvg: 4.905 atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } :: atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } ::sumAvg: 4.905 atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } :: atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } ::sumAvg: 4.745 atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } :: atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 2.455 atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 2.545 atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } :: atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 3.995 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 492 63L-HB3 B 1.095 ambi=2 { CB:41.597 } ::sumAvg: 3.985 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 491 63L-HB2 B 1.517 ambi=2 { CB:41.597 } ::sumAvg: 4.135 atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 507 64P-HD2 D 3.985 ambi=2 { CD:50.356 } :: atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 508 64P-HD3 D 3.327 ambi=2 { CD:50.356 } ::sumAvg: 4.52 atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 4.16 atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.785 atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } atom: 873 99L-HA A 4.1 ambi=1 { CA:57.878 } ::sumAvg: 4.555 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 493 63L-HG G 1.517 ambi=1 { CG:27.151 } ::sumAvg: 2.21 atom: 494 63L-HD1 D1 0.874 ambi=2 { CD1:26.296 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } :: atom: 495 63L-HD2 D2 0.902 ambi=2 { CD2:23.644 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 3.465 atom: 494 63L-HD1 D1 0.874 ambi=2 { CD1:26.296 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } :: atom: 495 63L-HD2 D2 0.902 ambi=2 { CD2:23.644 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.595 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 494 63L-HD1 D1 0.874 ambi=2 { CD1:26.296 } :: atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 495 63L-HD2 D2 0.902 ambi=2 { CD2:23.644 } ::sumAvg: 4.595 atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } ::sumAvg: 4.395 atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } ::sumAvg: 4.815 atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 4.73 atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } ::sumAvg: 4.73 atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 4.795 atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } :: atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } atom: 502 64P-HA A 4.559 ambi=1 { CA:63.039 } ::sumAvg: 4.795 atom: 503 64P-HB2 B 2.583 ambi=2 { CB:33.402 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } :: atom: 504 64P-HB3 B 1.905 ambi=2 { CB:33.402 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 4.65 atom: 507 64P-HD2 D 3.985 ambi=2 { CD:50.356 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } :: atom: 508 64P-HD3 D 3.327 ambi=2 { CD:50.356 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } ::sumAvg: 4.12 atom: 507 64P-HD2 D 3.985 ambi=2 { CD:50.356 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } :: atom: 508 64P-HD3 D 3.327 ambi=2 { CD:50.356 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 2.41 atom: 507 64P-HD2 D 3.985 ambi=2 { CD:50.356 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } :: atom: 508 64P-HD3 D 3.327 ambi=2 { CD:50.356 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 4.775 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 507 64P-HD2 D 3.985 ambi=2 { CD:50.356 } :: atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 508 64P-HD3 D 3.327 ambi=2 { CD:50.356 } ::sumAvg: 4.81 atom: 526 66P-HG2 G 2.12 ambi=2 { CG:28.474 } atom: 513 65Q-H N 9.289 ambi=1 { N:122.729 } :: atom: 527 66P-HG3 G 2.051 ambi=2 { CG:28.474 } atom: 513 65Q-H N 9.289 ambi=1 { N:122.729 } ::sumAvg: 4.565 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 513 65Q-H N 9.289 ambi=1 { N:122.729 } ::sumAvg: 4.96 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 513 65Q-H N 9.289 ambi=1 { N:122.729 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 513 65Q-H N 9.289 ambi=1 { N:122.729 } ::sumAvg: 4.6 atom: 514 65Q-HA A 4.194 ambi=1 { CA:61.18 } atom: 529 66P-HD3 D 3.686 ambi=2 { CD:50.343 } ::sumAvg: 3.87 atom: 529 66P-HD3 D 3.686 ambi=2 { CD:50.343 } atom: 514 65Q-HA A 4.194 ambi=1 { CA:61.18 } ::sumAvg: 3.87 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 514 65Q-HA A 4.194 ambi=1 { CA:61.18 } ::sumAvg: 2.84 atom: 514 65Q-HA A 4.194 ambi=1 { CA:61.18 } atom: 557 69A-H N 8.577 ambi=1 { N:122.731 } ::sumAvg: 3.95 atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } ::sumAvg: 4.185 atom: 528 66P-HD2 D 3.883 ambi=2 { CD:50.343 } atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } :: atom: 529 66P-HD3 D 3.686 ambi=2 { CD:50.343 } atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } ::sumAvg: 2.08 atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 4.73 atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } ::sumAvg: 4.335 atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } ::sumAvg: 4.335 atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } ::sumAvg: 4.69 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } ::sumAvg: 4.69 atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } atom: 557 69A-H N 8.577 ambi=1 { N:122.731 } ::sumAvg: 4.84 atom: 516 65Q-QB B 2.2895 ambi=2 { CB:25.845 } atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } ::sumAvg: 4.55 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 517 65Q-HG2 G 2.581 ambi=2 { CG:33.29 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 517 65Q-HG2 G 2.581 ambi=2 { CG:33.29 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 518 65Q-HG3 G 2.3 ambi=2 { CG:33.29 } ::sumAvg: 4.48 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 517 65Q-HG2 G 2.581 ambi=2 { CG:33.29 } :: atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 518 65Q-HG3 G 2.3 ambi=2 { CG:33.29 } ::sumAvg: 4.525 atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } ::sumAvg: 4.725 atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 4.855 atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } :: atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } ::sumAvg: 4.855 atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 4.56 atom: 523 66P-HA A 4.399 ambi=1 { CA:65.956 } atom: 563 70Q-H N 7.534 ambi=1 { N:120.846 } ::sumAvg: 4.325 atom: 524 66P-HB2 B 2.403 ambi=2 { CB:30.665 } atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } ::sumAvg: 4.965 atom: 526 66P-HG2 G 2.12 ambi=2 { CG:28.474 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 526 66P-HG2 G 2.12 ambi=2 { CG:28.474 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } :: atom: 527 66P-HG3 G 2.051 ambi=2 { CG:28.474 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 527 66P-HG3 G 2.051 ambi=2 { CG:28.474 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 3.575 atom: 528 66P-HD2 D 3.883 ambi=2 { CD:50.343 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 528 66P-HD2 D 3.883 ambi=2 { CD:50.343 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } :: atom: 529 66P-HD3 D 3.686 ambi=2 { CD:50.343 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 529 66P-HD3 D 3.686 ambi=2 { CD:50.343 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 3.865 atom: 528 66P-HD2 D 3.883 ambi=2 { CD:50.343 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } :: atom: 529 66P-HD3 D 3.686 ambi=2 { CD:50.343 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 4.55 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } ::sumAvg: 4.615 atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 534 67V-H N 6.875 ambi=1 { N:117.35 } ::sumAvg: 4.85 atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } atom: 557 69A-H N 8.577 ambi=1 { N:122.731 } ::sumAvg: 4.635 atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.495 atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 4.925 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } ::sumAvg: 4.925 atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.51 atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } ::sumAvg: 4.78 atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } :: atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } atom: 535 67V-HA A 3.93 ambi=1 { CA:64.811 } ::sumAvg: 4.78 atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 4.32 atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 4.78 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 4.9 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 4.25 atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.555 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 536 67V-HB B 2.233 ambi=1 { CB:31.581 } ::sumAvg: 4.555 atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 3.475 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 4.995 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 4.995 atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } :: atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.29 atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 4.72 atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } :: atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.72 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 4.72 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 537 67V-HG1 G1 1.132 ambi=2 { CG1:22.35 } :: atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 538 67V-HG2 G2 1.007 ambi=2 { CG2:22.364 } ::sumAvg: 3.21 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 4.94 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 544 68L-H N 7.965 ambi=1 { N:119.98 } ::sumAvg: 4.495 atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } ::sumAvg: 4.795 atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } ::sumAvg: 4.795 atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 563 70Q-H N 7.534 ambi=1 { N:120.846 } ::sumAvg: 4.245 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } ::sumAvg: 4.025 atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 589 72W-H N 8.473 ambi=1 { N:119.417 } ::sumAvg: 4.355 atom: 545 68L-HA A 3.955 ambi=1 { CA:57.878 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 4.78 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } ::sumAvg: 4.145 atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } ::sumAvg: 3.735 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 563 70Q-H N 7.534 ambi=1 { N:120.846 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 563 70Q-H N 7.534 ambi=1 { N:120.846 } ::sumAvg: 4.68 atom: 546 68L-HB2 B 1.999 ambi=2 { CB:40.821 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } :: atom: 547 68L-HB3 B 1.552 ambi=2 { CB:40.821 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.57 atom: 548 68L-HG G 1.539 ambi=1 { CG:26.287 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.955 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } ::sumAvg: 4.125 atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } :: atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } ::sumAvg: 4.125 atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } :: atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } ::sumAvg: 4.16 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.655 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 589 72W-H N 8.473 ambi=1 { N:119.417 } :: atom: 550 68L-HD2 D2 0.76 ambi=2 { CD2:23.055 } atom: 589 72W-H N 8.473 ambi=1 { N:119.417 } ::sumAvg: 4.72 atom: 549 68L-HD1 D1 0.875 ambi=2 { CD1:26.301 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 3.875 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 557 69A-H N 8.577 ambi=1 { N:122.731 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 557 69A-H N 8.577 ambi=1 { N:122.731 } ::sumAvg: 4.735 atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.28 atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } atom: 595 72W-HE3 E3 7.252 ambi=1 { CE3:121.195 } ::sumAvg: 3.185 atom: 595 72W-HE3 E3 7.252 ambi=1 { CE3:121.195 } atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } ::sumAvg: 3.185 atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } atom: 558 69A-HA A 4.375 ambi=1 { CA:55.128 } ::sumAvg: 4.445 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } ::sumAvg: 4.135 atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 589 72W-H N 8.473 ambi=1 { N:119.417 } ::sumAvg: 4.615 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } ::sumAvg: 4.01 atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 595 72W-HE3 E3 7.252 ambi=1 { CE3:121.195 } ::sumAvg: 3.745 atom: 595 72W-HE3 E3 7.252 ambi=1 { CE3:121.195 } atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } ::sumAvg: 3.745 atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 597 72W-HZ3 Z3 7.35 ambi=1 { CZ3:121.57 } ::sumAvg: 4.94 atom: 559 69A-HB B 1.559 ambi=1 { CB:17.533 } atom: 608 73A-H N 7.647 ambi=1 { N:116.148 } ::sumAvg: 4.405 atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 563 70Q-H N 7.534 ambi=1 { N:120.846 } ::sumAvg: 4.755 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 563 70Q-H N 7.534 ambi=1 { N:120.846 } ::sumAvg: 4.915 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 563 70Q-H N 7.534 ambi=1 { N:120.846 } ::sumAvg: 4.64 atom: 564 70Q-HA A 4.19 ambi=1 { CA:58.623 } atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } ::sumAvg: 4.77 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 564 70Q-HA A 4.19 ambi=1 { CA:58.623 } ::sumAvg: 4.77 atom: 564 70Q-HA A 4.19 ambi=1 { CA:58.623 } atom: 589 72W-H N 8.473 ambi=1 { N:119.417 } ::sumAvg: 4.46 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } ::sumAvg: 4.145 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } :: atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } ::sumAvg: 4.145 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } ::sumAvg: 4.935 atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } ::sumAvg: 4.935 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } :: atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } ::sumAvg: 3.735 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 3.91 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } :: atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } ::sumAvg: 3.91 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } ::sumAvg: 4.72 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } :: atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } ::sumAvg: 4.25 atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } ::sumAvg: 4.285 atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } :: atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } atom: 565 70Q-HB2 B 2.31 ambi=2 { CB:28.349 } :: atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } :: atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } atom: 566 70Q-HB3 B 2.188 ambi=2 { CB:28.349 } ::sumAvg: 4.285 atom: 567 70Q-HG2 G 2.579 ambi=2 { CG:33.627 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } :: atom: 568 70Q-HG3 G 2.299 ambi=2 { CG:33.627 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 4.995 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 567 70Q-HG2 G 2.579 ambi=2 { CG:33.627 } :: atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 568 70Q-HG3 G 2.299 ambi=2 { CG:33.627 } ::sumAvg: 4.995 atom: 567 70Q-HG2 G 2.579 ambi=2 { CG:33.627 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 567 70Q-HG2 G 2.579 ambi=2 { CG:33.627 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } :: atom: 568 70Q-HG3 G 2.299 ambi=2 { CG:33.627 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 568 70Q-HG3 G 2.299 ambi=2 { CG:33.627 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } ::sumAvg: 4.57 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 569 70Q-HE21 E2 7.297 ambi=2 { NE2:110.223 } :: atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 570 70Q-HE22 E2 6.695 ambi=2 { NE2:110.223 } ::sumAvg: 4.995 atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } atom: 569 70Q-HE21 E2 7.297 ambi=2 { NE2:110.223 } :: atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } atom: 569 70Q-HE21 E2 7.297 ambi=2 { NE2:110.223 } :: atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } atom: 570 70Q-HE22 E2 6.695 ambi=2 { NE2:110.223 } :: atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } atom: 570 70Q-HE22 E2 6.695 ambi=2 { NE2:110.223 } ::sumAvg: 4.695 atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } atom: 569 70Q-HE21 E2 7.297 ambi=2 { NE2:110.223 } :: atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } atom: 570 70Q-HE22 E2 6.695 ambi=2 { NE2:110.223 } ::sumAvg: 3.28 atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 569 70Q-HE21 E2 7.297 ambi=2 { NE2:110.223 } :: atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 570 70Q-HE22 E2 6.695 ambi=2 { NE2:110.223 } ::sumAvg: 4.46 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 569 70Q-HE21 E2 7.297 ambi=2 { NE2:110.223 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 569 70Q-HE21 E2 7.297 ambi=2 { NE2:110.223 } :: atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 570 70Q-HE22 E2 6.695 ambi=2 { NE2:110.223 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 570 70Q-HE22 E2 6.695 ambi=2 { NE2:110.223 } ::sumAvg: 4.535 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.795 atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } :: atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.805 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.665 atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } :: atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } atom: 576 71I-H N 8.17 ambi=1 { N:120.351 } ::sumAvg: 4.94 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 608 73A-H N 7.647 ambi=1 { N:116.148 } ::sumAvg: 4.585 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } ::sumAvg: 4.845 atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } ::sumAvg: 4.845 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 627 75A-H N 7.952 ambi=1 { N:118 } ::sumAvg: 4.23 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 4.435 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } :: atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } ::sumAvg: 4.11 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } ::sumAvg: 4.645 atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } ::sumAvg: 4.645 atom: 577 71I-HA A 3.455 ambi=1 { CA:66.53 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 2.54 atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 590 72W-HA A 3.845 ambi=1 { CA:61.144 } ::sumAvg: 4.355 atom: 590 72W-HA A 3.845 ambi=1 { CA:61.144 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } ::sumAvg: 4.355 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } ::sumAvg: 4.295 atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.995 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } ::sumAvg: 4.995 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } ::sumAvg: 4.33 atom: 578 71I-HB B 1.845 ambi=1 { CB:37.768 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 3.91 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.99 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 4.99 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } ::sumAvg: 4.65 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 4.65 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } ::sumAvg: 2.835 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 814 95I-H N 8.377 ambi=1 { N:118.949 } ::sumAvg: 4.25 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 3.415 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 3.825 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 3.395 atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } :: atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 3.395 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } :: atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } ::sumAvg: 3.165 atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } :: atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 3.165 atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } ::sumAvg: 4.105 atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } :: atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } atom: 580 71I-QG1 G1 0.7785 ambi=2 { CG1:31.098 } ::sumAvg: 4.105 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 4.03 atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } ::sumAvg: 4.97 atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 4.97 atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } ::sumAvg: 4.88 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 4.88 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 4.045 atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } ::sumAvg: 3.31 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 3.31 atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 2.535 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 2.535 atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 801 94L-H N 8.017 ambi=1 { N:114.192 } ::sumAvg: 4.555 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } ::sumAvg: 4.96 atom: 581 71I-HG2 G2 0.621 ambi=1 { CG2:15.779 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 3.855 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.975 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.975 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.91 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 4.91 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 3.025 atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } :: atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 3.025 atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } :: atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 2.885 atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } ::sumAvg: 3.96 atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } :: atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } atom: 582 71I-HD1 D1 0.601 ambi=1 { CD1:14.026 } ::sumAvg: 3.96 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 589 72W-H N 8.473 ambi=1 { N:119.417 } ::sumAvg: 4.6 atom: 590 72W-HA A 3.845 ambi=1 { CA:61.144 } atom: 614 74L-H N 7.493 ambi=1 { N:115.647 } ::sumAvg: 4.12 atom: 590 72W-HA A 3.845 ambi=1 { CA:61.144 } atom: 633 76D-H N 7.798 ambi=1 { N:114.297 } ::sumAvg: 3.905 atom: 590 72W-HA A 3.845 ambi=1 { CA:61.144 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.295 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 590 72W-HA A 3.845 ambi=1 { CA:61.144 } ::sumAvg: 4.295 atom: 609 73A-HA A 4.012 ambi=1 { CA:54.154 } atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } :: atom: 609 73A-HA A 4.012 ambi=1 { CA:54.154 } atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } ::sumAvg: 4.21 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } ::sumAvg: 3.875 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 4.735 atom: 591 72W-HB2 B 3.568 ambi=2 { CB:28.496 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } :: atom: 592 72W-HB3 B 3.419 ambi=2 { CB:28.496 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } ::sumAvg: 3.54 atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 627 75A-H N 7.952 ambi=1 { N:118 } ::sumAvg: 4.505 atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 3.13 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } ::sumAvg: 3.13 atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 633 76D-H N 7.798 ambi=1 { N:114.297 } ::sumAvg: 3.6 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } ::sumAvg: 3.88 atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 3.545 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } ::sumAvg: 3.545 atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 593 72W-HD1 D1 7.302 ambi=1 { CD1:128.239 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 4.2 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 4.985 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 3.755 atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 4.1 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 4.68 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 3.13 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 3.785 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 594 72W-HE1 E1 10.36 ambi=1 { NE1:130.312 } ::sumAvg: 2.785 atom: 595 72W-HE3 E3 7.252 ambi=1 { CE3:121.195 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } ::sumAvg: 4.585 atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } atom: 595 72W-HE3 E3 7.252 ambi=1 { CE3:121.195 } ::sumAvg: 4.585 atom: 596 72W-HZ2 Z2 7.204 ambi=1 { CZ2:114.19 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } ::sumAvg: 4.22 atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 596 72W-HZ2 Z2 7.204 ambi=1 { CZ2:114.19 } ::sumAvg: 4.22 atom: 596 72W-HZ2 Z2 7.204 ambi=1 { CZ2:114.19 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } ::sumAvg: 4.925 atom: 598 72W-HH2 H2 6.739 ambi=1 { CH2:122.996 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 598 72W-HH2 H2 6.739 ambi=1 { CH2:122.996 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } ::sumAvg: 3.545 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 598 72W-HH2 H2 6.739 ambi=1 { CH2:122.996 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 598 72W-HH2 H2 6.739 ambi=1 { CH2:122.996 } ::sumAvg: 3.545 atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } atom: 608 73A-H N 7.647 ambi=1 { N:116.148 } :: atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } atom: 608 73A-H N 7.647 ambi=1 { N:116.148 } ::sumAvg: 4.545 atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } atom: 608 73A-H N 7.647 ambi=1 { N:116.148 } :: atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } atom: 608 73A-H N 7.647 ambi=1 { N:116.148 } ::sumAvg: 4.975 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 608 73A-H N 7.647 ambi=1 { N:116.148 } ::sumAvg: 4.945 atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } atom: 615 74L-HA A 3.947 ambi=1 { CA:56.478 } ::sumAvg: 3.95 atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } ::sumAvg: 4.245 atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } ::sumAvg: 4.245 atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } ::sumAvg: 4.465 atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } :: atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } ::sumAvg: 4.29 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 610 73A-HB B 1.537 ambi=1 { CB:18.059 } ::sumAvg: 4.29 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 614 74L-H N 7.493 ambi=1 { N:115.647 } ::sumAvg: 4.235 atom: 615 74L-HA A 3.947 ambi=1 { CA:56.478 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 4.99 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 615 74L-HA A 3.947 ambi=1 { CA:56.478 } ::sumAvg: 4.99 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 615 74L-HA A 3.947 ambi=1 { CA:56.478 } ::sumAvg: 4.59 atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } :: atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } ::sumAvg: 3.885 atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 3.94 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } ::sumAvg: 4.815 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } ::sumAvg: 2.5 atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } :: atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } ::sumAvg: 4.555 atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } atom: 616 74L-HB2 B 1.846 ambi=2 { CB:43.726 } :: atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } ::sumAvg: 4.555 atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } atom: 950 108L-HG G 1.551 ambi=1 { CG:25.951 } ::sumAvg: 4.015 atom: 950 108L-HG G 1.551 ambi=1 { CG:25.951 } atom: 617 74L-HB3 B 1.044 ambi=2 { CB:43.726 } ::sumAvg: 4.015 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } ::sumAvg: 4.165 atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } atom: 933 106S-H N 8.485 ambi=1 { N:112.361 } ::sumAvg: 4.825 atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } ::sumAvg: 2.385 atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } ::sumAvg: 2.385 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 618 74L-HG G 1.786 ambi=1 { CG:26.725 } ::sumAvg: 3.75 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } :: atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } ::sumAvg: 4.775 atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } :: atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } ::sumAvg: 4.215 atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } :: atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } ::sumAvg: 4.215 atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } atom: 926 105P-QG G 1.9245 ambi=2 { CG:27.14 } :: atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } atom: 926 105P-QG G 1.9245 ambi=2 { CG:27.14 } ::sumAvg: 4.395 atom: 926 105P-QG G 1.9245 ambi=2 { CG:27.14 } atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } :: atom: 926 105P-QG G 1.9245 ambi=2 { CG:27.14 } atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } ::sumAvg: 4.395 atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } :: atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } ::sumAvg: 3.585 atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } :: atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } ::sumAvg: 3.585 atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } atom: 933 106S-H N 8.485 ambi=1 { N:112.361 } :: atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } atom: 933 106S-H N 8.485 ambi=1 { N:112.361 } ::sumAvg: 4.23 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 619 74L-HD1 D1 0.886 ambi=2 { CD1:26.292 } :: atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } ::sumAvg: 3.735 atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } atom: 620 74L-HD2 D2 0.591 ambi=2 { CD2:22.354 } ::sumAvg: 4.455 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 627 75A-H N 7.952 ambi=1 { N:118 } ::sumAvg: 4.76 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 627 75A-H N 7.952 ambi=1 { N:118 } ::sumAvg: 4.22 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 627 75A-H N 7.952 ambi=1 { N:118 } ::sumAvg: 3.935 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.605 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } ::sumAvg: 4.605 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 640 77M-H N 8.077 ambi=1 { N:123.959 } ::sumAvg: 4.575 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 644 77M-HG2 G 2.751 ambi=2 { CG:31.361 } :: atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 645 77M-HG3 G 2.55 ambi=2 { CG:31.361 } ::sumAvg: 4.78 atom: 644 77M-HG2 G 2.751 ambi=2 { CG:31.361 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } :: atom: 645 77M-HG3 G 2.55 ambi=2 { CG:31.361 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } ::sumAvg: 4.78 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 4.63 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 4.13 atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } :: atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } ::sumAvg: 4.345 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 778 91A-H N 8.197 ambi=1 { N:119.275 } ::sumAvg: 4.58 atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.29 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } ::sumAvg: 3.29 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 628 75A-HA A 4.019 ambi=1 { CA:53.982 } ::sumAvg: 4.19 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 3.85 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 3.85 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } ::sumAvg: 3.905 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 3.905 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 640 77M-H N 8.077 ambi=1 { N:123.959 } ::sumAvg: 4.7 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 4.835 atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 4.835 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 4.03 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 3.72 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } ::sumAvg: 4.19 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 3.125 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } :: atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } ::sumAvg: 4.92 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 4.92 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 749 88F-H N 8.482 ambi=1 { N:117.094 } ::sumAvg: 4.695 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } ::sumAvg: 3.495 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 3.495 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 765 90I-H N 8.034 ambi=1 { N:118.472 } ::sumAvg: 4.56 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } ::sumAvg: 4.78 atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 4.78 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } ::sumAvg: 3.24 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 3.24 atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } ::sumAvg: 4.805 atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 629 75A-HB B 1.179 ambi=1 { CB:19.913 } ::sumAvg: 4.805 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 633 76D-H N 7.798 ambi=1 { N:114.297 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 633 76D-H N 7.798 ambi=1 { N:114.297 } ::sumAvg: 4.615 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 633 76D-H N 7.798 ambi=1 { N:114.297 } ::sumAvg: 3.915 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } ::sumAvg: 4.45 atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.45 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 642 77M-HB2 B 2.22 ambi=2 { CB:34.55 } :: atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 643 77M-HB3 B 1.999 ambi=2 { CB:34.55 } ::sumAvg: 4.45 atom: 642 77M-HB2 B 2.22 ambi=2 { CB:34.55 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } :: atom: 643 77M-HB3 B 1.999 ambi=2 { CB:34.55 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.45 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 644 77M-HG2 G 2.751 ambi=2 { CG:31.361 } :: atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 645 77M-HG3 G 2.55 ambi=2 { CG:31.361 } ::sumAvg: 4.86 atom: 644 77M-HG2 G 2.751 ambi=2 { CG:31.361 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } :: atom: 645 77M-HG3 G 2.55 ambi=2 { CG:31.361 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.86 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 4.325 atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.325 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 662 79N-H N 8.019 ambi=1 { N:116.05 } ::sumAvg: 3.935 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 672 80D-H N 8.019 ambi=1 { N:115.62 } ::sumAvg: 4.765 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 4.455 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 4.83 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.83 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 4.99 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } ::sumAvg: 4.24 atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.24 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 2.73 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } :: atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } ::sumAvg: 2.755 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 2.755 atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } ::sumAvg: 4.73 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 634 76D-HA A 4.587 ambi=1 { CA:51.849 } ::sumAvg: 4.73 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 662 79N-H N 8.019 ambi=1 { N:116.05 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 662 79N-H N 8.019 ambi=1 { N:116.05 } ::sumAvg: 3.25 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } ::sumAvg: 3.115 atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } :: atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } ::sumAvg: 3.115 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 665 79N-HB3 B 2.58 ambi=2 { CB:37.867 } ::sumAvg: 4.48 atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } :: atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } :: atom: 665 79N-HB3 B 2.58 ambi=2 { CB:37.867 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } ::sumAvg: 4.48 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 666 79N-HD21 D2 7.507 ambi=2 { ND2:111.364 } :: atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 667 79N-HD22 D2 6.724 ambi=2 { ND2:111.364 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 666 79N-HD21 D2 7.507 ambi=2 { ND2:111.364 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 667 79N-HD22 D2 6.724 ambi=2 { ND2:111.364 } ::sumAvg: 3.855 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 672 80D-H N 8.019 ambi=1 { N:115.62 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 672 80D-H N 8.019 ambi=1 { N:115.62 } ::sumAvg: 3.3 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } ::sumAvg: 4.79 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } :: atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } ::sumAvg: 4.79 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 679 81G-H N 10.345 ambi=1 { N:112.191 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 679 81G-H N 10.345 ambi=1 { N:112.191 } ::sumAvg: 4.135 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } ::sumAvg: 4.385 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 3.99 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } :: atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } ::sumAvg: 3.99 atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 3.4 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } ::sumAvg: 3.4 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 3.965 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } ::sumAvg: 4.15 atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 3.725 atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } :: atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } ::sumAvg: 3.905 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 635 76D-HB2 B 2.321 ambi=2 { CB:36.265 } :: atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 636 76D-HB3 B 1.018 ambi=2 { CB:36.265 } ::sumAvg: 3.905 atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 4.11 atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } ::sumAvg: 4.675 atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } ::sumAvg: 4.675 atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } atom: 662 79N-H N 8.019 ambi=1 { N:116.05 } ::sumAvg: 3.765 atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } :: atom: 665 79N-HB3 B 2.58 ambi=2 { CB:37.867 } atom: 641 77M-HA A 3.867 ambi=1 { CA:59.024 } ::sumAvg: 4.93 atom: 642 77M-HB2 B 2.22 ambi=2 { CB:34.55 } atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } :: atom: 643 77M-HB3 B 1.999 ambi=2 { CB:34.55 } atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } ::sumAvg: 4.25 atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } atom: 642 77M-HB2 B 2.22 ambi=2 { CB:34.55 } :: atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } atom: 643 77M-HB3 B 1.999 ambi=2 { CB:34.55 } ::sumAvg: 4.25 atom: 654 78N-HB2 B 3.316 ambi=2 { CB:37.028 } atom: 642 77M-HB2 B 2.22 ambi=2 { CB:34.55 } :: atom: 655 78N-HB3 B 2.779 ambi=2 { CB:37.028 } atom: 642 77M-HB2 B 2.22 ambi=2 { CB:34.55 } :: atom: 654 78N-HB2 B 3.316 ambi=2 { CB:37.028 } atom: 643 77M-HB3 B 1.999 ambi=2 { CB:34.55 } :: atom: 655 78N-HB3 B 2.779 ambi=2 { CB:37.028 } atom: 643 77M-HB3 B 1.999 ambi=2 { CB:34.55 } ::sumAvg: 4.575 atom: 642 77M-HB2 B 2.22 ambi=2 { CB:34.55 } atom: 662 79N-H N 8.019 ambi=1 { N:116.05 } :: atom: 643 77M-HB3 B 1.999 ambi=2 { CB:34.55 } atom: 662 79N-H N 8.019 ambi=1 { N:116.05 } ::sumAvg: 4.715 atom: 645 77M-HG3 G 2.55 ambi=2 { CG:31.361 } atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } ::sumAvg: 4.96 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 644 77M-HG2 G 2.751 ambi=2 { CG:31.361 } :: atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 645 77M-HG3 G 2.55 ambi=2 { CG:31.361 } ::sumAvg: 4.13 atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } atom: 652 78N-H N 7.801 ambi=1 { N:112.247 } ::sumAvg: 4.21 atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 3.675 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 3.015 atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 4.06 atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } ::sumAvg: 4.8 atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } ::sumAvg: 4.8 atom: 646 77M-HE E 2.116 ambi=1 { CE:17.079 } atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } ::sumAvg: 4.49 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 652 78N-H N 7.801 ambi=1 { N:112.247 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 652 78N-H N 7.801 ambi=1 { N:112.247 } ::sumAvg: 4.04 atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } :: atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } atom: 665 79N-HB3 B 2.58 ambi=2 { CB:37.867 } ::sumAvg: 4.62 atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } :: atom: 665 79N-HB3 B 2.58 ambi=2 { CB:37.867 } atom: 653 78N-HA A 4.839 ambi=1 { CA:50.889 } ::sumAvg: 4.62 atom: 654 78N-HB2 B 3.316 ambi=2 { CB:37.028 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } ::sumAvg: 3.59 atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 654 78N-HB2 B 3.316 ambi=2 { CB:37.028 } ::sumAvg: 3.59 atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } ::sumAvg: 4.5 atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } ::sumAvg: 4.5 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 663 79N-HA A 4.38 ambi=1 { CA:54.319 } ::sumAvg: 4.755 atom: 664 79N-HB2 B 3.094 ambi=2 { CB:37.867 } atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } :: atom: 665 79N-HB3 B 2.58 ambi=2 { CB:37.867 } atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } ::sumAvg: 4.785 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 666 79N-HD21 D2 7.507 ambi=2 { ND2:111.364 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 666 79N-HD21 D2 7.507 ambi=2 { ND2:111.364 } :: atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 667 79N-HD22 D2 6.724 ambi=2 { ND2:111.364 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 667 79N-HD22 D2 6.724 ambi=2 { ND2:111.364 } ::sumAvg: 3.975 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 672 80D-H N 8.019 ambi=1 { N:115.62 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 672 80D-H N 8.019 ambi=1 { N:115.62 } ::sumAvg: 4.475 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 672 80D-H N 8.019 ambi=1 { N:115.62 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 672 80D-H N 8.019 ambi=1 { N:115.62 } ::sumAvg: 4.945 atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } ::sumAvg: 4.5 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } ::sumAvg: 4.5 atom: 673 80D-HA A 4.784 ambi=1 { CA:52.672 } atom: 684 82R-H N 8.365 ambi=1 { N:117.518 } ::sumAvg: 4.555 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } ::sumAvg: 4.93 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } ::sumAvg: 4.93 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 684 82R-H N 8.365 ambi=1 { N:117.518 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 684 82R-H N 8.365 ambi=1 { N:117.518 } ::sumAvg: 3.255 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } :: atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } ::sumAvg: 4.255 atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } ::sumAvg: 4.255 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 688 82R-HG2 G 1.345 ambi=2 { CG:25.844 } :: atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 689 82R-HG3 G 1.265 ambi=2 { CG:25.844 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 688 82R-HG2 G 1.345 ambi=2 { CG:25.844 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 689 82R-HG3 G 1.265 ambi=2 { CG:25.844 } ::sumAvg: 4.305 atom: 688 82R-HG2 G 1.345 ambi=2 { CG:25.844 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 689 82R-HG3 G 1.265 ambi=2 { CG:25.844 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 688 82R-HG2 G 1.345 ambi=2 { CG:25.844 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } :: atom: 689 82R-HG3 G 1.265 ambi=2 { CG:25.844 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } ::sumAvg: 4.305 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 690 82R-HD2 D 2.655 ambi=2 { CD:43.606 } :: atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 691 82R-HD3 D 2.301 ambi=2 { CD:43.606 } ::sumAvg: 4.65 atom: 690 82R-HD2 D 2.655 ambi=2 { CD:43.606 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 691 82R-HD3 D 2.301 ambi=2 { CD:43.606 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } ::sumAvg: 4.65 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } ::sumAvg: 4.54 atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } :: atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 4.385 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 674 80D-HB2 B 3.07 ambi=2 { CB:41.585 } :: atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 675 80D-HB3 B 2.382 ambi=2 { CB:41.585 } ::sumAvg: 4.385 atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 679 81G-H N 10.345 ambi=1 { N:112.191 } ::sumAvg: 4.845 atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } atom: 679 81G-H N 10.345 ambi=1 { N:112.191 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 679 81G-H N 10.345 ambi=1 { N:112.191 } ::sumAvg: 4.935 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } ::sumAvg: 4.425 atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } ::sumAvg: 4.425 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } :: atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } ::sumAvg: 4.93 atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } ::sumAvg: 4.93 atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 690 82R-HD2 D 2.655 ambi=2 { CD:43.606 } :: atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } atom: 691 82R-HD3 D 2.301 ambi=2 { CD:43.606 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 690 82R-HD2 D 2.655 ambi=2 { CD:43.606 } :: atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } atom: 691 82R-HD3 D 2.301 ambi=2 { CD:43.606 } ::sumAvg: 4.87 atom: 690 82R-HD2 D 2.655 ambi=2 { CD:43.606 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 691 82R-HD3 D 2.301 ambi=2 { CD:43.606 } atom: 680 81G-HA2 A 4.339 ambi=2 { CA:46.56 } :: atom: 690 82R-HD2 D 2.655 ambi=2 { CD:43.606 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } :: atom: 691 82R-HD3 D 2.301 ambi=2 { CD:43.606 } atom: 681 81G-HA3 A 4.044 ambi=2 { CA:46.56 } ::sumAvg: 4.87 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 684 82R-H N 8.365 ambi=1 { N:117.518 } ::sumAvg: 4.115 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 684 82R-H N 8.365 ambi=1 { N:117.518 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 684 82R-H N 8.365 ambi=1 { N:117.518 } ::sumAvg: 4.375 atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 4.79 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } ::sumAvg: 4.79 atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 4.895 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 685 82R-HA A 5.105 ambi=1 { CA:53.982 } ::sumAvg: 4.895 atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 4.72 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } :: atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } ::sumAvg: 4.72 atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } :: atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.9 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 686 82R-HB2 B 2.071 ambi=2 { CB:33.303 } :: atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 687 82R-HB3 B 1.895 ambi=2 { CB:33.303 } ::sumAvg: 4.9 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } ::sumAvg: 4.305 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } ::sumAvg: 4.515 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 697 83M-H N 9.038 ambi=1 { N:120.51 } ::sumAvg: 4.925 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 4.04 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.55 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 4.55 atom: 711 84D-HB2 B 3.049 ambi=2 { CB:42.047 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } :: atom: 712 84D-HB3 B 2.564 ambi=2 { CB:42.047 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 4.445 atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } ::sumAvg: 4.835 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 2.64 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 698 83M-HA A 6.142 ambi=1 { CA:55.586 } ::sumAvg: 3.49 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.835 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } ::sumAvg: 4.305 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 4.305 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.015 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 4.015 atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } :: atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.995 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 699 83M-HB2 B 2.537 ambi=2 { CB:38.61 } :: atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 700 83M-HB3 B 1.961 ambi=2 { CB:38.61 } ::sumAvg: 4.995 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.76 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 4.76 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 749 88F-H N 8.482 ambi=1 { N:117.094 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 749 88F-H N 8.482 ambi=1 { N:117.094 } ::sumAvg: 3.995 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } ::sumAvg: 4.175 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 4.175 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } ::sumAvg: 3.875 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } ::sumAvg: 3.875 atom: 701 83M-HG2 G 2.739 ambi=2 { CG:33.778 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } :: atom: 702 83M-HG3 G 2.629 ambi=2 { CG:33.778 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.89 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 3.815 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } ::sumAvg: 3.815 atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } ::sumAvg: 3.9 atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } atom: 703 83M-HE E 1.516 ambi=1 { CE:19.708 } ::sumAvg: 3.9 atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } atom: 709 84D-H N 7.586 ambi=1 { N:122.321 } ::sumAvg: 4.57 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 709 84D-H N 7.586 ambi=1 { N:122.321 } ::sumAvg: 2.545 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 709 84D-H N 7.586 ambi=1 { N:122.321 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 709 84D-H N 7.586 ambi=1 { N:122.321 } ::sumAvg: 3.3 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 709 84D-H N 7.586 ambi=1 { N:122.321 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 709 84D-H N 7.586 ambi=1 { N:122.321 } ::sumAvg: 4.6 atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.24 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } :: atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } ::sumAvg: 4.555 atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } :: atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.555 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 722 85Q-HE21 E2 7.06 ambi=2 { NE2:110.121 } :: atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 723 85Q-HE22 E2 6.891 ambi=2 { NE2:110.121 } ::sumAvg: 3.565 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 729 86V-H N 7.357 ambi=1 { N:120.551 } ::sumAvg: 4.53 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } ::sumAvg: 4.895 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 4.8 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.8 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 749 88F-H N 8.482 ambi=1 { N:117.094 } ::sumAvg: 4.795 atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.85 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 710 84D-HA A 5.259 ambi=1 { CA:51.182 } ::sumAvg: 4.85 atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } atom: 711 84D-HB2 B 3.049 ambi=2 { CB:42.047 } ::sumAvg: 4.85 atom: 711 84D-HB2 B 3.049 ambi=2 { CB:42.047 } atom: 729 86V-H N 7.357 ambi=1 { N:120.551 } :: atom: 712 84D-HB3 B 2.564 ambi=2 { CB:42.047 } atom: 729 86V-H N 7.357 ambi=1 { N:120.551 } ::sumAvg: 3.035 atom: 711 84D-HB2 B 3.049 ambi=2 { CB:42.047 } atom: 731 86V-HB B 2.204 ambi=1 { CB:31.538 } ::sumAvg: 4.25 atom: 711 84D-HB2 B 3.049 ambi=2 { CB:42.047 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } :: atom: 712 84D-HB3 B 2.564 ambi=2 { CB:42.047 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } ::sumAvg: 3.91 atom: 711 84D-HB2 B 3.049 ambi=2 { CB:42.047 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 4.355 atom: 711 84D-HB2 B 3.049 ambi=2 { CB:42.047 } atom: 749 88F-H N 8.482 ambi=1 { N:117.094 } :: atom: 712 84D-HB3 B 2.564 ambi=2 { CB:42.047 } atom: 749 88F-H N 8.482 ambi=1 { N:117.094 } ::sumAvg: 4.965 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 716 85Q-H N 7.988 ambi=1 { N:115.617 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 716 85Q-H N 7.988 ambi=1 { N:115.617 } ::sumAvg: 4.805 atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } atom: 730 86V-HA A 3.557 ambi=1 { CA:66.117 } ::sumAvg: 4.715 atom: 730 86V-HA A 3.557 ambi=1 { CA:66.117 } atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } ::sumAvg: 4.715 atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } ::sumAvg: 4.75 atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } ::sumAvg: 4.75 atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } ::sumAvg: 4.625 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 717 85Q-HA A 2.609 ambi=1 { CA:58.909 } ::sumAvg: 2.295 atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } atom: 730 86V-HA A 3.557 ambi=1 { CA:66.117 } :: atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } atom: 730 86V-HA A 3.557 ambi=1 { CA:66.117 } ::sumAvg: 4.37 atom: 730 86V-HA A 3.557 ambi=1 { CA:66.117 } atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } :: atom: 730 86V-HA A 3.557 ambi=1 { CA:66.117 } atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } ::sumAvg: 4.37 atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } :: atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } ::sumAvg: 3.83 atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } :: atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } ::sumAvg: 3.83 atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } :: atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.405 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 718 85Q-HB2 B 1.581 ambi=2 { CB:29.346 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 719 85Q-HB3 B 1.482 ambi=2 { CB:29.346 } ::sumAvg: 4.405 atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } :: atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } ::sumAvg: 4.275 atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } :: atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.98 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 720 85Q-HG2 G 1.655 ambi=2 { CG:34.601 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 721 85Q-HG3 G 1.53 ambi=2 { CG:34.601 } ::sumAvg: 4.98 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 722 85Q-HE21 E2 7.06 ambi=2 { NE2:110.121 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 722 85Q-HE21 E2 7.06 ambi=2 { NE2:110.121 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 723 85Q-HE22 E2 6.891 ambi=2 { NE2:110.121 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 723 85Q-HE22 E2 6.891 ambi=2 { NE2:110.121 } ::sumAvg: 4.795 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 729 86V-H N 7.357 ambi=1 { N:120.551 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 729 86V-H N 7.357 ambi=1 { N:120.551 } ::sumAvg: 4.865 atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } ::sumAvg: 3.295 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } ::sumAvg: 3.325 atom: 760 89S-HB2 B 3.864 ambi=2 { CB:59.544 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } :: atom: 761 89S-HB3 B 3.851 ambi=2 { CB:59.544 } atom: 732 86V-QG G 0.979 ambi=2 { QCG:20.5965 } ::sumAvg: 3.725 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } ::sumAvg: 4.725 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 739 87E-H N 8.375 ambi=1 { N:119.417 } ::sumAvg: 4.74 atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } ::sumAvg: 4.765 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } ::sumAvg: 4.765 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } ::sumAvg: 2.51 atom: 740 87E-HA A 3.908 ambi=1 { CA:59.424 } atom: 778 91A-H N 8.197 ambi=1 { N:119.275 } ::sumAvg: 4.815 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } ::sumAvg: 3.88 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 3.88 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.17 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } ::sumAvg: 4.17 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 758 89S-H N 7.49 ambi=1 { N:113.424 } ::sumAvg: 4.62 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 765 90I-H N 8.034 ambi=1 { N:118.472 } ::sumAvg: 4.92 atom: 742 87E-QB B 2.199 ambi=2 { CB:31.466 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.285 atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } :: atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } ::sumAvg: 4.765 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 743 87E-HG2 G 3.077 ambi=2 { CG:37.237 } :: atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 744 87E-HG3 G 2.584 ambi=2 { CG:37.237 } ::sumAvg: 4.765 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 749 88F-H N 8.482 ambi=1 { N:117.094 } ::sumAvg: 4.395 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 765 90I-H N 8.034 ambi=1 { N:118.472 } ::sumAvg: 4.025 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } ::sumAvg: 4.175 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 778 91A-H N 8.197 ambi=1 { N:119.275 } ::sumAvg: 3.29 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 2.51 atom: 750 88F-HA A 4.427 ambi=1 { CA:62.061 } atom: 784 92M-H N 8.183 ambi=1 { N:118.681 } ::sumAvg: 4.44 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } ::sumAvg: 4.09 atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.09 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 760 89S-HB2 B 3.864 ambi=2 { CB:59.544 } :: atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 761 89S-HB3 B 3.851 ambi=2 { CB:59.544 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 760 89S-HB2 B 3.864 ambi=2 { CB:59.544 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 761 89S-HB3 B 3.851 ambi=2 { CB:59.544 } ::sumAvg: 4.605 atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } :: atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.69 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 751 88F-HB2 B 3.169 ambi=2 { CB:40.726 } :: atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 752 88F-HB3 B 2.909 ambi=2 { CB:40.726 } ::sumAvg: 4.69 atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } ::sumAvg: 4.805 atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.82 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 753 88F-HD1 D1 7.468 ambi=1 { CD1:132.161 } ::sumAvg: 3.82 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 758 89S-H N 7.49 ambi=1 { N:113.424 } ::sumAvg: 3.92 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 758 89S-H N 7.49 ambi=1 { N:113.424 } ::sumAvg: 4.8 atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } ::sumAvg: 4.625 atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } ::sumAvg: 4.625 atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 778 91A-H N 8.197 ambi=1 { N:119.275 } ::sumAvg: 4.315 atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 784 92M-H N 8.183 ambi=1 { N:118.681 } ::sumAvg: 3.955 atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } ::sumAvg: 4.21 atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } ::sumAvg: 4.21 atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } :: atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } ::sumAvg: 4.305 atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 759 89S-HA A 4.763 ambi=1 { CA:59.783 } ::sumAvg: 4.305 atom: 760 89S-HB2 B 3.864 ambi=2 { CB:59.544 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } :: atom: 761 89S-HB3 B 3.851 ambi=2 { CB:59.544 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } ::sumAvg: 4.545 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 760 89S-HB2 B 3.864 ambi=2 { CB:59.544 } :: atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 761 89S-HB3 B 3.851 ambi=2 { CB:59.544 } ::sumAvg: 4.58 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 765 90I-H N 8.034 ambi=1 { N:118.472 } ::sumAvg: 4.875 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 765 90I-H N 8.034 ambi=1 { N:118.472 } ::sumAvg: 3.94 atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } ::sumAvg: 4.69 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } ::sumAvg: 4.69 atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.935 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } ::sumAvg: 4.935 atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.24 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } ::sumAvg: 4.24 atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 4.81 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 766 90I-HA A 3.506 ambi=1 { CA:66.098 } ::sumAvg: 4.81 atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } :: atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } ::sumAvg: 4.765 atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 4.58 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } ::sumAvg: 4.58 atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } ::sumAvg: 4.84 atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } atom: 767 90I-HB B 2.063 ambi=1 { CB:37.905 } ::sumAvg: 4.84 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } :: atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } ::sumAvg: 4.075 atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.82 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } ::sumAvg: 4.82 atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } :: atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } ::sumAvg: 4.665 atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } atom: 950 108L-HG G 1.551 ambi=1 { CG:25.951 } :: atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } atom: 950 108L-HG G 1.551 ambi=1 { CG:25.951 } ::sumAvg: 4.675 atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } :: atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } ::sumAvg: 4.49 atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 768 90I-HG12 G1 1.995 ambi=2 { CG1:30.214 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } :: atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 2.975 atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } ::sumAvg: 2.81 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 769 90I-HG13 G1 0.966 ambi=2 { CG1:30.214 } ::sumAvg: 2.81 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } ::sumAvg: 3.305 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } ::sumAvg: 3.305 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.065 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } ::sumAvg: 3.065 atom: 770 90I-HG2 G2 0.848 ambi=1 { CG2:17.36 } atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } ::sumAvg: 4.98 atom: 771 90I-HD1 D1 0.878 ambi=1 { CD1:14.906 } atom: 950 108L-HG G 1.551 ambi=1 { CG:25.951 } ::sumAvg: 3.465 atom: 771 90I-HD1 D1 0.878 ambi=1 { CD1:14.906 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } ::sumAvg: 4.64 atom: 771 90I-HD1 D1 0.878 ambi=1 { CD1:14.906 } atom: 992 113K-H N 7.33 ambi=1 { N:112.617 } ::sumAvg: 3.73 atom: 771 90I-HD1 D1 0.878 ambi=1 { CD1:14.906 } atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } :: atom: 771 90I-HD1 D1 0.878 ambi=1 { CD1:14.906 } atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } ::sumAvg: 3.465 atom: 771 90I-HD1 D1 0.878 ambi=1 { CD1:14.906 } atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } ::sumAvg: 4.92 atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } atom: 771 90I-HD1 D1 0.878 ambi=1 { CD1:14.906 } ::sumAvg: 4.92 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 801 94L-H N 8.017 ambi=1 { N:114.192 } ::sumAvg: 3.325 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } :: atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } ::sumAvg: 2.82 atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } :: atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } ::sumAvg: 2.82 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 3.22 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } ::sumAvg: 3.22 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 814 95I-H N 8.377 ambi=1 { N:118.949 } ::sumAvg: 4.49 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 4.84 atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } ::sumAvg: 4.84 atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } :: atom: 779 91A-HA A 4.286 ambi=1 { CA:52.435 } atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } ::sumAvg: 4.98 atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.825 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } ::sumAvg: 4.5 atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } :: atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.5 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } :: atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } ::sumAvg: 4.735 atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 4.735 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 801 94L-H N 8.017 ambi=1 { N:114.192 } ::sumAvg: 4.395 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } ::sumAvg: 3.925 atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.925 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 3.845 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.845 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } ::sumAvg: 3.93 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.93 atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 3.61 atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } atom: 780 91A-HB B 1.362 ambi=1 { CB:19.091 } ::sumAvg: 3.61 atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } atom: 801 94L-H N 8.017 ambi=1 { N:114.192 } ::sumAvg: 4.24 atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } atom: 814 95I-H N 8.377 ambi=1 { N:118.949 } ::sumAvg: 3.915 atom: 816 95I-HB B 1.84 ambi=1 { CB:38.284 } atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } ::sumAvg: 3.73 atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } ::sumAvg: 3.3 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } ::sumAvg: 3.3 atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } ::sumAvg: 4.905 atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 3.85 atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } ::sumAvg: 3.85 atom: 785 92M-HA A 4.268 ambi=1 { CA:55.643 } atom: 827 96K-H N 7.751 ambi=1 { N:119.637 } ::sumAvg: 4.975 atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 786 92M-HB2 B 1.912 ambi=2 { CB:29.521 } :: atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 787 92M-HB3 B 1.887 ambi=2 { CB:29.521 } ::sumAvg: 4.41 atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } ::sumAvg: 4.965 atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } :: atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } ::sumAvg: 4.965 atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } :: atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.73 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 788 92M-HG2 G 2.44 ambi=2 { CG:32.07 } :: atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 789 92M-HG3 G 2.41 ambi=2 { CG:32.07 } ::sumAvg: 4.73 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 794 93K-H N 8.172 ambi=1 { N:120.362 } ::sumAvg: 4.99 atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 794 93K-H N 8.172 ambi=1 { N:120.362 } :: atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } atom: 794 93K-H N 8.172 ambi=1 { N:120.362 } ::sumAvg: 4.2 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 794 93K-H N 8.172 ambi=1 { N:120.362 } ::sumAvg: 4.585 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 794 93K-H N 8.172 ambi=1 { N:120.362 } ::sumAvg: 4.495 atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 814 95I-H N 8.377 ambi=1 { N:118.949 } ::sumAvg: 4.27 atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 827 96K-H N 7.751 ambi=1 { N:119.637 } ::sumAvg: 3.47 atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } :: atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } ::sumAvg: 2.93 atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 833 96K-HD2 D 1.652 ambi=2 { CD:28.78 } :: atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 834 96K-HD3 D 1.641 ambi=2 { CD:28.78 } ::sumAvg: 4.83 atom: 833 96K-HD2 D 1.652 ambi=2 { CD:28.78 } atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } :: atom: 834 96K-HD3 D 1.641 ambi=2 { CD:28.78 } atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } ::sumAvg: 4.83 atom: 795 93K-HA A 4.006 ambi=1 { CA:56.84 } atom: 843 97L-H N 8.382 ambi=1 { N:117.727 } ::sumAvg: 4.565 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } ::sumAvg: 4.185 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.185 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } ::sumAvg: 4.715 atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.715 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 4.175 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.175 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 827 96K-H N 7.751 ambi=1 { N:119.637 } ::sumAvg: 4.81 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } ::sumAvg: 4.945 atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.945 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 4.395 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 4.395 atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } ::sumAvg: 3.28 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 797 93K-QB B 1.785 ambi=2 { CB:32.83 } ::sumAvg: 3.28 atom: 816 95I-HB B 1.84 ambi=1 { CB:38.284 } atom: 801 94L-H N 8.017 ambi=1 { N:114.192 } ::sumAvg: 4.905 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 801 94L-H N 8.017 ambi=1 { N:114.192 } ::sumAvg: 4.305 atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } atom: 801 94L-H N 8.017 ambi=1 { N:114.192 } ::sumAvg: 4.47 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 4.825 atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } ::sumAvg: 4.825 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 827 96K-H N 7.751 ambi=1 { N:119.637 } ::sumAvg: 4.47 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } ::sumAvg: 4 atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } ::sumAvg: 4 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 856 98K-H N 8.761 ambi=1 { N:122.255 } ::sumAvg: 3.98 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } ::sumAvg: 4.935 atom: 802 94L-HA A 3.884 ambi=1 { CA:58.234 } atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } ::sumAvg: 4.93 atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } :: atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 3.865 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } :: atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } ::sumAvg: 3.595 atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } :: atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } atom: 820 95I-HD1 D1 0.46 ambi=1 { CD1:13.588 } ::sumAvg: 4.025 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } ::sumAvg: 4.66 atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 803 94L-HB2 B 2.128 ambi=2 { CB:42.05 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 4.955 atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } ::sumAvg: 4.705 atom: 986 112M-HE E 2.312 ambi=1 { CE:17.971 } atom: 804 94L-HB3 B 1.066 ambi=2 { CB:42.05 } ::sumAvg: 4.705 atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } ::sumAvg: 4.55 atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } ::sumAvg: 4.55 atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 4.305 atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 805 94L-HG G 0.871 ambi=1 { CG:26.77 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 4.695 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } ::sumAvg: 3.99 atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 3.99 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } ::sumAvg: 4.925 atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 4.925 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 856 98K-H N 8.761 ambi=1 { N:122.255 } ::sumAvg: 4.675 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 4.785 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } :: atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } ::sumAvg: 4.32 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } ::sumAvg: 4.53 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } ::sumAvg: 4.89 atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } ::sumAvg: 4.89 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 947 108L-HA A 4.02 ambi=1 { CA:52.99 } ::sumAvg: 4.85 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } :: atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } ::sumAvg: 4.69 atom: 806 94L-QD D 0.843 ambi=2 { QCD:22.5665 } atom: 950 108L-HG G 1.551 ambi=1 { CG:25.951 } ::sumAvg: 4.57 atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } atom: 828 96K-HA A 3.928 ambi=1 { CA:59.701 } ::sumAvg: 4.79 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 2.86 atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 3.39 atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } :: atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 3.39 atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } :: atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } ::sumAvg: 4.855 atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } :: atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 4.855 atom: 876 99L-HG G 1.792 ambi=1 { CG:27.161 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 4.145 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 815 95I-HA A 3.254 ambi=1 { CA:66.013 } ::sumAvg: 4.36 atom: 816 95I-HB B 1.84 ambi=1 { CB:38.284 } atom: 832 96K-HG3 G 1.245 ambi=2 { CG:24.539 } ::sumAvg: 4.935 atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 4.91 atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } :: atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } atom: 818 95I-QG1 G1 0.554 ambi=2 { CG1:31.095 } ::sumAvg: 4.91 atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } atom: 828 96K-HA A 3.928 ambi=1 { CA:59.701 } ::sumAvg: 3.465 atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } :: atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } ::sumAvg: 4.635 atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 819 95I-HG2 G2 0.861 ambi=1 { CG2:16.651 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 4.76 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 828 96K-HA A 3.928 ambi=1 { CA:59.701 } ::sumAvg: 2.82 atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } :: atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } ::sumAvg: 4.24 atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } :: atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } :: atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } :: atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } ::sumAvg: 4.35 atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } :: atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 3.875 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } :: atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } ::sumAvg: 3.875 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 829 96K-HB2 B 2.085 ambi=2 { CB:32.286 } :: atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 830 96K-HB3 B 2.056 ambi=2 { CB:32.286 } ::sumAvg: 4.78 atom: 831 96K-HG2 G 1.494 ambi=2 { CG:24.539 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } :: atom: 832 96K-HG3 G 1.245 ambi=2 { CG:24.539 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } ::sumAvg: 4.975 atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } atom: 831 96K-HG2 G 1.494 ambi=2 { CG:24.539 } :: atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } atom: 832 96K-HG3 G 1.245 ambi=2 { CG:24.539 } ::sumAvg: 4.975 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 831 96K-HG2 G 1.494 ambi=2 { CG:24.539 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 831 96K-HG2 G 1.494 ambi=2 { CG:24.539 } :: atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 832 96K-HG3 G 1.245 ambi=2 { CG:24.539 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 832 96K-HG3 G 1.245 ambi=2 { CG:24.539 } ::sumAvg: 4.67 atom: 833 96K-HD2 D 1.652 ambi=2 { CD:28.78 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } :: atom: 834 96K-HD3 D 1.641 ambi=2 { CD:28.78 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } ::sumAvg: 4.685 atom: 833 96K-HD2 D 1.652 ambi=2 { CD:28.78 } atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } :: atom: 834 96K-HD3 D 1.641 ambi=2 { CD:28.78 } atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } ::sumAvg: 4.365 atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 833 96K-HD2 D 1.652 ambi=2 { CD:28.78 } :: atom: 877 99L-QD D 0.9045 ambi=2 { QCD:22.6715 } atom: 834 96K-HD3 D 1.641 ambi=2 { CD:28.78 } ::sumAvg: 4.365 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 843 97L-H N 8.382 ambi=1 { N:117.727 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 843 97L-H N 8.382 ambi=1 { N:117.727 } ::sumAvg: 4.665 atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.755 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } ::sumAvg: 4.755 atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } :: atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } atom: 844 97L-HA A 4.006 ambi=1 { CA:57.363 } ::sumAvg: 4.525 atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } :: atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.265 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } :: atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } ::sumAvg: 4.265 atom: 845 97L-HB2 B 1.613 ambi=2 { CB:40.459 } atom: 908 102Y-QE E 6.697 ambi=3 { CE1:117.81 } :: atom: 846 97L-HB3 B 0.783 ambi=2 { CB:40.459 } atom: 908 102Y-QE E 6.697 ambi=3 { CE1:117.81 } ::sumAvg: 4.735 atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } :: atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } ::sumAvg: 3.415 atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } :: atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } ::sumAvg: 3.415 atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } ::sumAvg: 3.9 atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } ::sumAvg: 3.9 atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } atom: 908 102Y-QE E 6.697 ambi=3 { CE1:117.81 } ::sumAvg: 4.905 atom: 908 102Y-QE E 6.697 ambi=3 { CE1:117.81 } atom: 847 97L-HG G 1.432 ambi=1 { CG:26.295 } ::sumAvg: 4.905 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.295 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 4.295 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } :: atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } ::sumAvg: 4.58 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 4.58 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } ::sumAvg: 4.86 atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } :: atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 4.86 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } ::sumAvg: 4.46 atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } :: atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 3.68 atom: 889 100Q-HG2 G 2.689 ambi=2 { CG:34.557 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 890 100Q-HG3 G 2.374 ambi=2 { CG:34.557 } atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } :: atom: 889 100Q-HG2 G 2.689 ambi=2 { CG:34.557 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } :: atom: 890 100Q-HG3 G 2.374 ambi=2 { CG:34.557 } atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } ::sumAvg: 3.91 atom: 848 97L-HD1 D1 0.023 ambi=2 { CD1:21.91 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } :: atom: 849 97L-HD2 D2 -0.016 ambi=2 { CD2:26.285 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } ::sumAvg: 4.785 atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } atom: 856 98K-H N 8.761 ambi=1 { N:122.255 } ::sumAvg: 4.89 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 873 99L-HA A 4.1 ambi=1 { CA:57.878 } ::sumAvg: 4.775 atom: 873 99L-HA A 4.1 ambi=1 { CA:57.878 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.775 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } ::sumAvg: 3.825 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 897 101G-H N 7.91 ambi=1 { N:106.044 } ::sumAvg: 3.4 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } ::sumAvg: 4.745 atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 4.745 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } :: atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } ::sumAvg: 3.47 atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } :: atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 3.47 atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } ::sumAvg: 3.69 atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } atom: 857 98K-HA A 4.548 ambi=1 { CA:57.477 } ::sumAvg: 3.69 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 873 99L-HA A 4.1 ambi=1 { CA:57.878 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 873 99L-HA A 4.1 ambi=1 { CA:57.878 } ::sumAvg: 4.185 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 875 99L-HB3 B 1.461 ambi=2 { CB:41.605 } ::sumAvg: 4.845 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } ::sumAvg: 4.9 atom: 858 98K-HB2 B 2.129 ambi=2 { CB:31.294 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } :: atom: 859 98K-HB3 B 1.828 ambi=2 { CB:31.294 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } ::sumAvg: 4.845 atom: 860 98K-HG2 G 1.305 ambi=2 { CG:24.922 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } :: atom: 861 98K-HG3 G 1.292 ambi=2 { CG:24.922 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } ::sumAvg: 4.68 atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } :: atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } ::sumAvg: 4.215 atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } atom: 862 98K-HD2 D 1.54 ambi=2 { CD:24.971 } :: atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } atom: 863 98K-HD3 D 1.528 ambi=2 { CD:24.971 } ::sumAvg: 4.215 atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } :: atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } ::sumAvg: 3.43 atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } atom: 864 98K-HE2 E 3.076 ambi=2 { CE:42.376 } :: atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } atom: 865 98K-HE3 E 3.024 ambi=2 { CE:42.376 } ::sumAvg: 3.43 atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } atom: 872 99L-H N 8.798 ambi=1 { N:122.214 } :: atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } atom: 872 99L-H N 8.798 ambi=1 { N:122.214 } ::sumAvg: 4.795 atom: 873 99L-HA A 4.1 ambi=1 { CA:57.878 } atom: 897 101G-H N 7.91 ambi=1 { N:106.044 } ::sumAvg: 3.775 atom: 874 99L-HB2 B 2.162 ambi=2 { CB:41.605 } atom: 886 100Q-HA A 4.285 ambi=1 { CA:56.503 } :: atom: 875 99L-HB3 B 1.461 ambi=2 { CB:41.605 } atom: 886 100Q-HA A 4.285 ambi=1 { CA:56.503 } ::sumAvg: 4.395 atom: 886 100Q-HA A 4.285 ambi=1 { CA:56.503 } atom: 874 99L-HB2 B 2.162 ambi=2 { CB:41.605 } :: atom: 886 100Q-HA A 4.285 ambi=1 { CA:56.503 } atom: 875 99L-HB3 B 1.461 ambi=2 { CB:41.605 } ::sumAvg: 4.395 atom: 875 99L-HB3 B 1.461 ambi=2 { CB:41.605 } atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } :: atom: 875 99L-HB3 B 1.461 ambi=2 { CB:41.605 } atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } ::sumAvg: 4.935 atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } atom: 875 99L-HB3 B 1.461 ambi=2 { CB:41.605 } :: atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } atom: 875 99L-HB3 B 1.461 ambi=2 { CB:41.605 } ::sumAvg: 4.935 atom: 898 101G-HA2 A 4.262 ambi=2 { CA:44.884 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } :: atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } ::sumAvg: 4.785 atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } :: atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } atom: 885 100Q-H N 7.749 ambi=1 { N:116.914 } ::sumAvg: 4.94 atom: 886 100Q-HA A 4.285 ambi=1 { CA:56.503 } atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } ::sumAvg: 4.46 atom: 898 101G-HA2 A 4.262 ambi=2 { CA:44.884 } atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } :: atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } :: atom: 898 101G-HA2 A 4.262 ambi=2 { CA:44.884 } atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } :: atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } ::sumAvg: 4.79 atom: 887 100Q-HB2 B 2.388 ambi=2 { CB:29.576 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } :: atom: 888 100Q-HB3 B 2.373 ambi=2 { CB:29.576 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } ::sumAvg: 4.055 atom: 889 100Q-HG2 G 2.689 ambi=2 { CG:34.557 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } :: atom: 890 100Q-HG3 G 2.374 ambi=2 { CG:34.557 } atom: 902 102Y-H N 8.078 ambi=1 { N:120.876 } ::sumAvg: 4.81 atom: 903 102Y-HA A 4.311 ambi=1 { CA:59.253 } atom: 897 101G-H N 7.91 ambi=1 { N:106.044 } ::sumAvg: 4.91 atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } atom: 897 101G-H N 7.91 ambi=1 { N:106.044 } :: atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } atom: 897 101G-H N 7.91 ambi=1 { N:106.044 } ::sumAvg: 4.31 atom: 903 102Y-HA A 4.311 ambi=1 { CA:59.253 } atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } ::sumAvg: 4.435 atom: 898 101G-HA2 A 4.262 ambi=2 { CA:44.884 } atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } :: atom: 899 101G-HA3 A 3.661 ambi=2 { CA:44.884 } atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } ::sumAvg: 4.62 atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } :: atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } ::sumAvg: 4.225 atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } atom: 917 103Q-HB2 B 2.05 ambi=2 { CB:29.1 } :: atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } atom: 918 103Q-HB3 B 2.035 ambi=2 { CB:29.1 } :: atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } atom: 918 103Q-HB3 B 2.035 ambi=2 { CB:29.1 } ::sumAvg: 4.825 atom: 917 103Q-HB2 B 2.05 ambi=2 { CB:29.1 } atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } :: atom: 918 103Q-HB3 B 2.035 ambi=2 { CB:29.1 } atom: 904 102Y-HB2 B 2.96 ambi=2 { CB:37.849 } :: atom: 918 103Q-HB3 B 2.035 ambi=2 { CB:29.1 } atom: 905 102Y-HB3 B 2.441 ambi=2 { CB:37.849 } ::sumAvg: 4.825 atom: 916 103Q-HA A 4.28 ambi=1 { CA:56.62 } atom: 906 102Y-QD D 7.297 ambi=3 { CD1:133.054 } ::sumAvg: 4.96 atom: 917 103Q-HB2 B 2.05 ambi=2 { CB:29.1 } atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } :: atom: 918 103Q-HB3 B 2.035 ambi=2 { CB:29.1 } atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } ::sumAvg: 4.96 atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } atom: 917 103Q-HB2 B 2.05 ambi=2 { CB:29.1 } :: atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } atom: 918 103Q-HB3 B 2.035 ambi=2 { CB:29.1 } ::sumAvg: 4.96 atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } ::sumAvg: 4.345 atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } :: atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } ::sumAvg: 4.885 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } ::sumAvg: 4.885 atom: 922 105P-HA A 4.631 ambi=1 { CA:61.602 } atom: 940 107A-H N 7.41 ambi=1 { N:121.311 } ::sumAvg: 4.01 atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } atom: 923 105P-HB2 B 2.176 ambi=2 { CB:31.69 } :: atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } atom: 924 105P-HB3 B 1.924 ambi=2 { CB:31.69 } ::sumAvg: 4.46 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 923 105P-HB2 B 2.176 ambi=2 { CB:31.69 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 923 105P-HB2 B 2.176 ambi=2 { CB:31.69 } :: atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 924 105P-HB3 B 1.924 ambi=2 { CB:31.69 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 924 105P-HB3 B 1.924 ambi=2 { CB:31.69 } ::sumAvg: 4.77 atom: 923 105P-HB2 B 2.176 ambi=2 { CB:31.69 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } :: atom: 924 105P-HB3 B 1.924 ambi=2 { CB:31.69 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } ::sumAvg: 3.48 atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } atom: 923 105P-HB2 B 2.176 ambi=2 { CB:31.69 } :: atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } atom: 924 105P-HB3 B 1.924 ambi=2 { CB:31.69 } ::sumAvg: 3.48 atom: 926 105P-QG G 1.9245 ambi=2 { CG:27.14 } atom: 940 107A-H N 7.41 ambi=1 { N:121.311 } ::sumAvg: 3.33 atom: 926 105P-QG G 1.9245 ambi=2 { CG:27.14 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } ::sumAvg: 3.645 atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } atom: 926 105P-QG G 1.9245 ambi=2 { CG:27.14 } ::sumAvg: 3.645 atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } atom: 940 107A-H N 7.41 ambi=1 { N:121.311 } ::sumAvg: 4.095 atom: 928 105P-QD D 3.635 ambi=2 { CD:50.28 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } ::sumAvg: 4.715 atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } atom: 933 106S-H N 8.485 ambi=1 { N:112.361 } ::sumAvg: 4.87 atom: 934 106S-HA A 4.183 ambi=1 { CA:59.525 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } ::sumAvg: 4.795 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } ::sumAvg: 4.655 atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } :: atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } ::sumAvg: 4.655 atom: 935 106S-HB2 B 3.882 ambi=2 { CB:63.078 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } :: atom: 936 106S-HB3 B 3.85 ambi=2 { CB:63.078 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } ::sumAvg: 4.5 atom: 947 108L-HA A 4.02 ambi=1 { CA:52.99 } atom: 940 107A-H N 7.41 ambi=1 { N:121.311 } ::sumAvg: 4.84 atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } :: atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } ::sumAvg: 4.78 atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } :: atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } ::sumAvg: 4.78 atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } :: atom: 941 107A-HA A 4.308 ambi=1 { CA:50.086 } atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } ::sumAvg: 4.41 atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } atom: 947 108L-HA A 4.02 ambi=1 { CA:52.99 } ::sumAvg: 4.405 atom: 947 108L-HA A 4.02 ambi=1 { CA:52.99 } atom: 942 107A-HB B 1.204 ambi=1 { CB:21.253 } ::sumAvg: 4.405 atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } :: atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 3.905 atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } :: atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } :: atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } ::sumAvg: 4.825 atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } :: atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } :: atom: 984 112M-HG2 G 2.256 ambi=2 { CG:33.577 } atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } :: atom: 985 112M-HG3 G 1.983 ambi=2 { CG:33.577 } atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } ::sumAvg: 4.825 atom: 948 108L-HB2 B 1.479 ambi=2 { CB:42.041 } atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } :: atom: 949 108L-HB3 B 1.392 ambi=2 { CB:42.041 } atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } ::sumAvg: 4.645 atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } :: atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } :: atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } :: atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } ::sumAvg: 4.44 atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } :: atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } ::sumAvg: 4.565 atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } :: atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } ::sumAvg: 4.76 atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } atom: 951 108L-HD1 D1 0.924 ambi=2 { CD1:26.513 } :: atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } atom: 952 108L-HD2 D2 0.862 ambi=2 { CD2:25.593 } ::sumAvg: 4.76 atom: 959 110P-HA A 4.024 ambi=1 { CA:65.44 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } ::sumAvg: 4.08 atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } atom: 959 110P-HA A 4.024 ambi=1 { CA:65.44 } ::sumAvg: 3.34 atom: 959 110P-HA A 4.024 ambi=1 { CA:65.44 } atom: 1008 114Q-H N 7.114 ambi=1 { N:117.852 } ::sumAvg: 4.165 atom: 971 111V-HA A 3.986 ambi=1 { CA:63.779 } atom: 960 110P-HB2 B 2.346 ambi=2 { CB:31.638 } :: atom: 971 111V-HA A 3.986 ambi=1 { CA:63.779 } atom: 961 110P-HB3 B 1.925 ambi=2 { CB:31.638 } ::sumAvg: 4.13 atom: 960 110P-HB2 B 2.346 ambi=2 { CB:31.638 } atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } :: atom: 960 110P-HB2 B 2.346 ambi=2 { CB:31.638 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } :: atom: 961 110P-HB3 B 1.925 ambi=2 { CB:31.638 } atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } :: atom: 961 110P-HB3 B 1.925 ambi=2 { CB:31.638 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } ::sumAvg: 3.885 atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } atom: 960 110P-HB2 B 2.346 ambi=2 { CB:31.638 } :: atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } atom: 960 110P-HB2 B 2.346 ambi=2 { CB:31.638 } :: atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } atom: 961 110P-HB3 B 1.925 ambi=2 { CB:31.638 } :: atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } atom: 961 110P-HB3 B 1.925 ambi=2 { CB:31.638 } ::sumAvg: 3.885 atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } atom: 960 110P-HB2 B 2.346 ambi=2 { CB:31.638 } ::sumAvg: 4.225 atom: 960 110P-HB2 B 2.346 ambi=2 { CB:31.638 } atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } :: atom: 961 110P-HB3 B 1.925 ambi=2 { CB:31.638 } atom: 1001 113K-QE E 2.913 ambi=2 { CE:42.045 } ::sumAvg: 4.285 atom: 962 110P-HG2 G 2.07 ambi=2 { CG:27.14 } atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } :: atom: 962 110P-HG2 G 2.07 ambi=2 { CG:27.14 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } :: atom: 963 110P-HG3 G 2.005 ambi=2 { CG:27.14 } atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } :: atom: 963 110P-HG3 G 2.005 ambi=2 { CG:27.14 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } ::sumAvg: 3.475 atom: 964 110P-HD2 D 3.879 ambi=2 { CD:50.28 } atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } :: atom: 964 110P-HD2 D 3.879 ambi=2 { CD:50.28 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } :: atom: 965 110P-HD3 D 3.759 ambi=2 { CD:50.28 } atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } :: atom: 965 110P-HD3 D 3.759 ambi=2 { CD:50.28 } atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } ::sumAvg: 3.03 atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } atom: 964 110P-HD2 D 3.879 ambi=2 { CD:50.28 } :: atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } atom: 964 110P-HD2 D 3.879 ambi=2 { CD:50.28 } :: atom: 973 111V-HG1 G1 1.026 ambi=2 { CG1:21.38 } atom: 965 110P-HD3 D 3.759 ambi=2 { CD:50.28 } :: atom: 974 111V-HG2 G2 0.861 ambi=2 { CG2:20.145 } atom: 965 110P-HD3 D 3.759 ambi=2 { CD:50.28 } ::sumAvg: 3.03 atom: 964 110P-HD2 D 3.879 ambi=2 { CD:50.28 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } :: atom: 965 110P-HD3 D 3.759 ambi=2 { CD:50.28 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } ::sumAvg: 4.685 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 970 111V-H N 8.118 ambi=1 { N:115.605 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 970 111V-H N 8.118 ambi=1 { N:115.605 } ::sumAvg: 4.72 atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } atom: 970 111V-H N 8.118 ambi=1 { N:115.605 } :: atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } atom: 970 111V-H N 8.118 ambi=1 { N:115.605 } ::sumAvg: 4.4 atom: 971 111V-HA A 3.986 ambi=1 { CA:63.779 } atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } :: atom: 971 111V-HA A 3.986 ambi=1 { CA:63.779 } atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } ::sumAvg: 4.985 atom: 971 111V-HA A 3.986 ambi=1 { CA:63.779 } atom: 1014 114Q-HE21 E2 7.454 ambi=2 { NE2:111.589 } :: atom: 971 111V-HA A 3.986 ambi=1 { CA:63.779 } atom: 1015 114Q-HE22 E2 6.891 ambi=2 { NE2:111.589 } ::sumAvg: 4.815 atom: 972 111V-HB B 2.204 ambi=1 { CB:31.065 } atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } ::sumAvg: 4.76 atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } :: atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } ::sumAvg: 3.605 atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } atom: 980 112M-H N 7.908 ambi=1 { N:118.943 } ::sumAvg: 4.73 atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } atom: 1008 114Q-H N 7.114 ambi=1 { N:117.852 } ::sumAvg: 4.315 atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } ::sumAvg: 3.86 atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } atom: 981 112M-HA A 4.16 ambi=1 { CA:59.098 } ::sumAvg: 3.86 atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 4.295 atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } :: atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 4.74 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } :: atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } ::sumAvg: 4.115 atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } :: atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 4.115 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } ::sumAvg: 4.715 atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } :: atom: 999 113K-QD D 1.689 ambi=2 { CD:29.439 } atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } ::sumAvg: 4.715 atom: 982 112M-HB2 B 2.854 ambi=2 { CB:34.024 } atom: 1008 114Q-H N 7.114 ambi=1 { N:117.852 } :: atom: 983 112M-HB3 B 2.779 ambi=2 { CB:34.024 } atom: 1008 114Q-H N 7.114 ambi=1 { N:117.852 } ::sumAvg: 4.865 atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } atom: 992 113K-H N 7.33 ambi=1 { N:112.617 } ::sumAvg: 4.615 atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } ::sumAvg: 4.185 atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } atom: 993 113K-HA A 4.182 ambi=1 { CA:55.987 } ::sumAvg: 4.185 atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } :: atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } ::sumAvg: 4.89 atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } :: atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } ::sumAvg: 4.89 atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } atom: 1010 114Q-HB2 B 2.169 ambi=2 { CB:29.241 } ::sumAvg: 4.925 atom: 1010 114Q-HB2 B 2.169 ambi=2 { CB:29.241 } atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } ::sumAvg: 4.925 atom: 994 113K-HB2 B 1.931 ambi=2 { CB:32.841 } atom: 1021 115Q-H N 8.556 ambi=1 { N:123.195 } :: atom: 995 113K-HB3 B 1.748 ambi=2 { CB:32.841 } atom: 1021 115Q-H N 8.556 ambi=1 { N:123.195 } ::sumAvg: 4.96 atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } :: atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } ::sumAvg: 4.845 atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } :: atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } ::sumAvg: 4.845 atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } :: atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } ::sumAvg: 4.835 atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } atom: 996 113K-HG2 G 1.338 ambi=2 { CG:25.423 } :: atom: 1013 114Q-QG G 2.435 ambi=2 { CG:33.72 } atom: 997 113K-HG3 G 1.328 ambi=2 { CG:25.423 } ::sumAvg: 4.835 atom: 1023 115Q-HB2 B 2.051 ambi=2 { CB:28.234 } atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } :: atom: 1024 115Q-HB3 B 1.98 ambi=2 { CB:28.234 } atom: 1009 114Q-HA A 4.309 ambi=1 { CA:54.956 } ::sumAvg: 4.9 atom: 1010 114Q-HB2 B 2.169 ambi=2 { CB:29.241 } atom: 1022 115Q-HA A 4.501 ambi=1 { CA:53.858 } :: atom: 1011 114Q-HB3 B 2.096 ambi=2 { CB:29.241 } atom: 1022 115Q-HA A 4.501 ambi=1 { CA:53.858 } ::sumAvg: 4.3 atom: 1010 114Q-HB2 B 2.169 ambi=2 { CB:29.241 } atom: 1039 116P-HD2 D 3.848 ambi=2 { CD:50.673 } :: atom: 1010 114Q-HB2 B 2.169 ambi=2 { CB:29.241 } atom: 1040 116P-HD3 D 3.602 ambi=2 { CD:50.673 } :: atom: 1011 114Q-HB3 B 2.096 ambi=2 { CB:29.241 } atom: 1039 116P-HD2 D 3.848 ambi=2 { CD:50.673 } :: atom: 1011 114Q-HB3 B 2.096 ambi=2 { CB:29.241 } atom: 1040 116P-HD3 D 3.602 ambi=2 { CD:50.673 } ::sumAvg: 4.465 atom: 1039 116P-HD2 D 3.848 ambi=2 { CD:50.673 } atom: 1021 115Q-H N 8.556 ambi=1 { N:123.195 } :: atom: 1040 116P-HD3 D 3.602 ambi=2 { CD:50.673 } atom: 1021 115Q-H N 8.556 ambi=1 { N:123.195 } ::sumAvg: 3.33 atom: 1023 115Q-HB2 B 2.051 ambi=2 { CB:28.234 } atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } :: atom: 1024 115Q-HB3 B 1.98 ambi=2 { CB:28.234 } atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } ::sumAvg: 4.495 atom: 1034 116P-HA A 4.53 ambi=1 { CA:63.05 } atom: 1026 115Q-QG G 2.4545 ambi=2 { CG:33.293 } ::sumAvg: 4.895 atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1026 115Q-QG G 2.4545 ambi=2 { CG:33.293 } ::sumAvg: 4.52 atom: 1034 116P-HA A 4.53 ambi=1 { CA:63.05 } atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } ::sumAvg: 3.475 atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1034 116P-HA A 4.53 ambi=1 { CA:63.05 } ::sumAvg: 3.475 atom: 1046 117V-HA A 4.167 ambi=1 { CA:61.258 } atom: 1035 116P-HB2 B 2.104 ambi=2 { CB:31.953 } :: atom: 1046 117V-HA A 4.167 ambi=1 { CA:61.258 } atom: 1036 116P-HB3 B 1.706 ambi=2 { CB:31.953 } ::sumAvg: 4.565 atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1035 116P-HB2 B 2.104 ambi=2 { CB:31.953 } :: atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1036 116P-HB3 B 1.706 ambi=2 { CB:31.953 } ::sumAvg: 4.34 atom: 1035 116P-HB2 B 2.104 ambi=2 { CB:31.953 } atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } ::sumAvg: 4.88 atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } atom: 1035 116P-HB2 B 2.104 ambi=2 { CB:31.953 } ::sumAvg: 4.88 atom: 1046 117V-HA A 4.167 ambi=1 { CA:61.258 } atom: 1061 119I-H N 8.25 ambi=1 { N:120.929 } ::sumAvg: 4.605 atom: 1056 118A-HA A 4.452 ambi=1 { CA:51.678 } atom: 1047 117V-HB B 2.03 ambi=1 { CB:33.724 } ::sumAvg: 4.995 atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } atom: 1047 117V-HB B 2.03 ambi=1 { CB:33.724 } ::sumAvg: 4.575 atom: 1047 117V-HB B 2.03 ambi=1 { CB:33.724 } atom: 1061 119I-H N 8.25 ambi=1 { N:120.929 } ::sumAvg: 4.705 atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1056 118A-HA A 4.452 ambi=1 { CA:51.678 } ::sumAvg: 3.755 atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } ::sumAvg: 3.64 atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } ::sumAvg: 3.64 atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1061 119I-H N 8.25 ambi=1 { N:120.929 } ::sumAvg: 4.085 atom: 1048 117V-QG G 0.936 ambi=2 { QCG:21.029 } atom: 1063 119I-HB B 1.875 ambi=1 { CB:38.914 } ::sumAvg: 4.765 atom: 1062 119I-HA A 4.24 ambi=1 { CA:60.743 } atom: 1055 118A-H N 8.47 ambi=1 { N:128.412 } ::sumAvg: 4.565 atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } atom: 1055 118A-H N 8.47 ambi=1 { N:128.412 } ::sumAvg: 4.89 atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } atom: 1056 118A-HA A 4.452 ambi=1 { CA:51.678 } ::sumAvg: 4.82 atom: 1056 118A-HA A 4.452 ambi=1 { CA:51.678 } atom: 1067 119I-HD1 D1 0.846 ambi=1 { CD1:12.72 } ::sumAvg: 4.99 atom: 1067 119I-HD1 D1 0.846 ambi=1 { CD1:12.72 } atom: 1056 118A-HA A 4.452 ambi=1 { CA:51.678 } ::sumAvg: 4.99 atom: 1056 118A-HA A 4.452 ambi=1 { CA:51.678 } atom: 1074 120S-H N 8.413 ambi=1 { N:120.494 } ::sumAvg: 4.97 atom: 1062 119I-HA A 4.24 ambi=1 { CA:60.743 } atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } ::sumAvg: 4.41 atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } atom: 1063 119I-HB B 1.875 ambi=1 { CB:38.914 } ::sumAvg: 4.665 atom: 1063 119I-HB B 1.875 ambi=1 { CB:38.914 } atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } ::sumAvg: 4.665 atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } ::sumAvg: 4.155 atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } ::sumAvg: 4.155 atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } atom: 1067 119I-HD1 D1 0.846 ambi=1 { CD1:12.72 } ::sumAvg: 4.99 atom: 1067 119I-HD1 D1 0.846 ambi=1 { CD1:12.72 } atom: 1057 118A-HB B 1.37 ambi=1 { CB:19.26 } ::sumAvg: 4.99 atom: 1062 119I-HA A 4.24 ambi=1 { CA:60.743 } atom: 1081 121S-H N 8.046 ambi=1 { N:123.709 } ::sumAvg: 4.815 atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } atom: 1075 120S-HA A 4.543 ambi=1 { CA:57.878 } ::sumAvg: 3.825 atom: 1075 120S-HA A 4.543 ambi=1 { CA:57.878 } atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } ::sumAvg: 3.825 atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } atom: 1076 120S-HB2 B 3.868 ambi=2 { CB:63.951 } :: atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } atom: 1077 120S-HB3 B 3.856 ambi=2 { CB:63.951 } ::sumAvg: 4.305 atom: 1076 120S-HB2 B 3.868 ambi=2 { CB:63.951 } atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } :: atom: 1077 120S-HB3 B 3.856 ambi=2 { CB:63.951 } atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } ::sumAvg: 4.305 atom: 1066 119I-HG2 G2 0.93 ambi=1 { CG2:17.533 } atom: 1081 121S-H N 8.046 ambi=1 { N:123.709 } ::sumAvg: 4.965 atom: 1082 121S-HA A 4.51 ambi=1 { CA:58.57 } atom: 1074 120S-H N 8.413 ambi=1 { N:120.494 } ::sumAvg: 4.85