# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } ::sumAvg: 4.795 atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } ::sumAvg: 3.78 atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 4.72 atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 4.405 atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } ::sumAvg: 3.48 atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } :: atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } ::sumAvg: 4.67 atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } ::sumAvg: 4.81 atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.32 atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 3.785 atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } ::sumAvg: 4.835 atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } ::sumAvg: 4.85 atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.405 atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.495 atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.695 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.57 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } :: atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } :: atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } :: atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } ::sumAvg: 2.645 atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } :: atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } ::sumAvg: 4.125 atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 4.68 atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } ::sumAvg: 4.705 atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } ::sumAvg: 4.705 atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } atom: 1064 92L-H N 8.125 ambi=1 { N:116.288 } ::sumAvg: 4.95 atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } :: atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } ::sumAvg: 4.825 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } ::sumAvg: 4.825 atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } :: atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } ::sumAvg: 4.035 atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } :: atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } ::sumAvg: 4.035 atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.64 atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.925 atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 3.69 atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } :: atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } ::sumAvg: 3.655 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } :: atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } ::sumAvg: 4.41 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 3.54 atom: 1134 98V-H N 7.545 ambi=1 { N:116.287 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 4.895 atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.885 atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.72 atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 3.39 atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 3.67 atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } :: atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } ::sumAvg: 4.595 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 4.595 atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.815 atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } ::sumAvg: 4.865 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.02 atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 3.225 atom: 80 8V-H N 7.567 ambi=1 { N:117.776 } atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } ::sumAvg: 4.95 atom: 80 8V-H N 7.567 ambi=1 { N:117.776 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } ::sumAvg: 4.32 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } :: atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } ::sumAvg: 4.62 atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } ::sumAvg: 4.585 atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.805 atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.6 atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } ::sumAvg: 4.635 atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.975 atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } ::sumAvg: 4.855 atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } ::sumAvg: 4.855 atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.76 atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } ::sumAvg: 4.54 atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } ::sumAvg: 4.705 atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 4.91 atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 4.98 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 4.42 atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.835 atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } ::sumAvg: 4.84 atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.275 atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 3.855 atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } ::sumAvg: 4.67 atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } ::sumAvg: 4.74 atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } atom: 124 11K-HE2 E 2.626 ambi=2 { CE:41.939 } :: atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } atom: 125 11K-HE3 E 2.613 ambi=2 { CE:41.939 } ::sumAvg: 4.805 atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.86 atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } ::sumAvg: 4.92 atom: 151 14D-H N 8.783 ambi=1 { N:120.167 } atom: 267 24Y-HH H 7.935 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.97 atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } ::sumAvg: 4.985 atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.64 atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } ::sumAvg: 4.64 atom: 170 16V-H N 8.889 ambi=1 { N:125.587 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 3.89 atom: 181 17G-H N 8.563 ambi=1 { N:111.233 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } ::sumAvg: 4.91 atom: 181 17G-H N 8.563 ambi=1 { N:111.233 } atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } ::sumAvg: 4.78 atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.655 atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.25 atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } ::sumAvg: 4.625 atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } ::sumAvg: 4.625 atom: 1228 107L-H N 8.578 ambi=1 { N:123.215 } atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } ::sumAvg: 4.885 atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } :: atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } ::sumAvg: 4.15 atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.935 atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } ::sumAvg: 4.335 atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } ::sumAvg: 4.695 atom: 1228 107L-H N 8.578 ambi=1 { N:123.215 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } ::sumAvg: 4.725 atom: 1228 107L-H N 8.578 ambi=1 { N:123.215 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 1228 107L-H N 8.578 ambi=1 { N:123.215 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } ::sumAvg: 4.4 atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } ::sumAvg: 4.115 atom: 202 19N-HD21 D2 7.525 ambi=1 { ND2:113.631 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } :: atom: 203 19N-HD22 D2 6.861 ambi=1 { ND2:113.631 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } ::sumAvg: 4.04 atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.88 atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } ::sumAvg: 4.575 atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } ::sumAvg: 4.575 atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } ::sumAvg: 4.99 atom: 202 19N-HD21 D2 7.525 ambi=1 { ND2:113.631 } atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } :: atom: 202 19N-HD21 D2 7.525 ambi=1 { ND2:113.631 } atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } ::sumAvg: 4.995 atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 3.32 atom: 227 21L-H N 7.761 ambi=1 { N:122.175 } atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } ::sumAvg: 2.67 atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } ::sumAvg: 4.59 atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } :: atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } ::sumAvg: 4.825 atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.825 atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.85 atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 4.325 atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } ::sumAvg: 4.91 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } ::sumAvg: 4.85 atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.445 atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.7 atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.695 atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.97 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } ::sumAvg: 4.97 atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } :: atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } ::sumAvg: 4.56 atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } :: atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } ::sumAvg: 4.45 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } :: atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } ::sumAvg: 4.775 atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.155 atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.425 atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.775 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } ::sumAvg: 4.775 atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.95 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 3.835 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.135 atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 4.94 atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } ::sumAvg: 4.975 atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } :: atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } atom: 279 25E-HB3 B 1.629 ambi=2 { CB:33.588 } ::sumAvg: 4.85 atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } :: atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } atom: 281 25E-HG3 G 1.964 ambi=2 { CG:35.101 } ::sumAvg: 4.42 atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.72 atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } ::sumAvg: 4.77 atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } ::sumAvg: 4.77 atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.405 atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 4.785 atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 3.835 atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 4.005 atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.99 atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.76 atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } ::sumAvg: 4.975 atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } ::sumAvg: 4.24 atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } ::sumAvg: 4.56 atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.885 atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 4.83 atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 4.485 atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 3.7 atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } :: atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } ::sumAvg: 4.26 atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } :: atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } ::sumAvg: 4.8 atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } ::sumAvg: 4.895 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.895 atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } ::sumAvg: 4.465 atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 4.99 atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } ::sumAvg: 4.82 atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } atom: 685 60K-H N 7.945 ambi=1 { N:119.243 } ::sumAvg: 4.55 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.325 atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.905 atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.23 atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.23 atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 4.63 atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 4.22 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.22 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } ::sumAvg: 4.405 atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } ::sumAvg: 4.98 atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } ::sumAvg: 4.555 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } :: atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 3.445 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.615 atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } ::sumAvg: 4.615 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 4.17 atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } :: atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } ::sumAvg: 4.355 atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 4.28 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } ::sumAvg: 4.28 atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } ::sumAvg: 4.84 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 3.84 atom: 685 60K-H N 7.945 ambi=1 { N:119.243 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 4.395 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } ::sumAvg: 4.53 atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } ::sumAvg: 4.985 atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } ::sumAvg: 3.97 atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 3.97 atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } ::sumAvg: 4.95 atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } ::sumAvg: 4.995 atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.315 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } ::sumAvg: 3.76 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } ::sumAvg: 3.505 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } ::sumAvg: 4.195 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } :: atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } ::sumAvg: 3.465 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } ::sumAvg: 4.135 atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } ::sumAvg: 3.94 atom: 685 60K-H N 7.945 ambi=1 { N:119.243 } atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } :: atom: 685 60K-H N 7.945 ambi=1 { N:119.243 } atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } ::sumAvg: 3.045 atom: 389 35G-H N 8.86 ambi=1 { N:112.288 } atom: 674 59P-HB2 B 1.897 ambi=2 { CB:31.693 } :: atom: 389 35G-H N 8.86 ambi=1 { N:112.288 } atom: 675 59P-HB3 B 1.777 ambi=2 { CB:31.693 } ::sumAvg: 4.16 atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } ::sumAvg: 4.56 atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } ::sumAvg: 4.775 atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } ::sumAvg: 4.75 atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 4.75 atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.14 atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.615 atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } :: atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } ::sumAvg: 2.995 atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } ::sumAvg: 3.565 atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } ::sumAvg: 4.935 atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 4.945 atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.965 atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 4.79 atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 4.675 atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 3.53 atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } ::sumAvg: 4.78 atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.45 atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 4.45 atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } ::sumAvg: 3.86 atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 4.785 atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 3.455 atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.205 atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.175 atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 3.265 atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } ::sumAvg: 4.41 atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } ::sumAvg: 4.985 atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } atom: 629 54T-HG2 G2 1.15 ambi=1 { CG2:21.759 } ::sumAvg: 4.835 atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } ::sumAvg: 4.88 atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.64 atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } ::sumAvg: 4.5 atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } ::sumAvg: 4.5 atom: 626 54T-H N 8.902 ambi=1 { N:120.049 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } ::sumAvg: 4.955 atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } ::sumAvg: 4.665 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } :: atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 4.57 atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } :: atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 4.805 atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } :: atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 3.7 atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } :: atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 3.925 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.39 atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } :: atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } ::sumAvg: 3.4 atom: 626 54T-H N 8.902 ambi=1 { N:120.049 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.825 atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.625 atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 4.95 atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.95 atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 4.77 atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 4.52 atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 4.855 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 3.65 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } ::sumAvg: 4.815 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 4.475 atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.475 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } ::sumAvg: 4.98 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } ::sumAvg: 4.79 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 4.795 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.785 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.795 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } ::sumAvg: 4.765 atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.95 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } ::sumAvg: 4.815 atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } ::sumAvg: 4.865 atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } ::sumAvg: 4.79 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } :: atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } ::sumAvg: 3.26 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 2.635 atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 3.45 atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 4.575 atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 4.015 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } ::sumAvg: 2.605 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } ::sumAvg: 4.49 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } :: atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } ::sumAvg: 4.06 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 3.345 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } :: atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } ::sumAvg: 4.05 atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 4.06 atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } atom: 548 49L-HA A 3.579 ambi=1 { CA:57.48 } ::sumAvg: 4.98 atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } ::sumAvg: 4.98 atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.845 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } ::sumAvg: 4.69 atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 4.195 atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 4.005 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } :: atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } ::sumAvg: 4.36 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 4.445 atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } :: atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } ::sumAvg: 4.88 atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.745 atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 3.64 atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } ::sumAvg: 4.885 atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } ::sumAvg: 4.53 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } ::sumAvg: 4.735 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } :: atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } ::sumAvg: 3.055 atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } :: atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } ::sumAvg: 4.9 atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } :: atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } ::sumAvg: 4.835 atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } atom: 494 44Y-QD D 6.703 ambi=3 { CD1:132.814 } ::sumAvg: 4.77 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.195 atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 4.195 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } ::sumAvg: 3.905 atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 3.905 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } ::sumAvg: 4.64 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } ::sumAvg: 4.235 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } ::sumAvg: 4.83 atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 4.83 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } :: atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } ::sumAvg: 3.845 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 4.825 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.93 atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.925 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 4.925 atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 3.9 atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.67 atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.54 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.715 atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } ::sumAvg: 4.255 atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.58 atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.9 atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 4.32 atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.32 atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.845 atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.795 atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } :: atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } ::sumAvg: 3.41 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.495 atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } ::sumAvg: 4.46 atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } :: atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } ::sumAvg: 4.22 atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } :: atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } ::sumAvg: 3.73 atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.505 atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } ::sumAvg: 4.505 atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } ::sumAvg: 4.945 atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } :: atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } ::sumAvg: 4.47 atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } ::sumAvg: 4.85 atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 4.285 atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 4.315 atom: 577 51K-H N 7.369 ambi=1 { N:116.05 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.78 atom: 577 51K-H N 7.369 ambi=1 { N:116.05 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 4.655 atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } :: atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } ::sumAvg: 4.95 atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } :: atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } ::sumAvg: 4.225 atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } :: atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } ::sumAvg: 4.735 atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } ::sumAvg: 4.87 atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 3.87 atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.86 atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } ::sumAvg: 4.86 atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } ::sumAvg: 4.84 atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.5 atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } :: atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } ::sumAvg: 4.955 atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 4.955 atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 4.955 atom: 626 54T-H N 8.902 ambi=1 { N:120.049 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 626 54T-H N 8.902 ambi=1 { N:120.049 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 3.52 atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.815 atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } ::sumAvg: 4.69 atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } ::sumAvg: 4.85 atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } :: atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } ::sumAvg: 4.7 atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } ::sumAvg: 4.98 atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } ::sumAvg: 4.885 atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } ::sumAvg: 4.47 atom: 713 62E-H N 8.353 ambi=1 { N:124.052 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } ::sumAvg: 4.91 atom: 713 62E-H N 8.353 ambi=1 { N:124.052 } atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } ::sumAvg: 4.36 atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.04 atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.475 atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } atom: 769 66T-HG2 G2 1.102 ambi=1 { CG2:21.805 } ::sumAvg: 4.555 atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.965 atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.395 atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.695 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.17 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.935 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } ::sumAvg: 4.37 atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.98 atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } ::sumAvg: 4.42 atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.42 atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.285 atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 4.79 atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.9 atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 4.135 atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } atom: 851 73Q-HB2 B 2.066 ambi=2 { CB:32.427 } :: atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } atom: 852 73Q-HB3 B 1.998 ambi=2 { CB:32.427 } ::sumAvg: 4.7 atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.89 atom: 855 73Q-HE21 E2 7.614 ambi=1 { NE2:112.464 } atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } ::sumAvg: 4.565 atom: 855 73Q-HE21 E2 7.614 ambi=1 { NE2:112.464 } atom: 851 73Q-HB2 B 2.066 ambi=2 { CB:32.427 } :: atom: 856 73Q-HE22 E2 6.898 ambi=1 { NE2:112.464 } atom: 851 73Q-HB2 B 2.066 ambi=2 { CB:32.427 } :: atom: 855 73Q-HE21 E2 7.614 ambi=1 { NE2:112.464 } atom: 852 73Q-HB3 B 1.998 ambi=2 { CB:32.427 } :: atom: 856 73Q-HE22 E2 6.898 ambi=1 { NE2:112.464 } atom: 852 73Q-HB3 B 1.998 ambi=2 { CB:32.427 } ::sumAvg: 3.13 atom: 855 73Q-HE21 E2 7.614 ambi=1 { NE2:112.464 } atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } ::sumAvg: 4.915 atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } atom: 855 73Q-HE21 E2 7.614 ambi=1 { NE2:112.464 } ::sumAvg: 4.915 atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } atom: 875 75G-H N 8.735 ambi=1 { N:109.437 } ::sumAvg: 4.615 atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 4.875 atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.73 atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.84 atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } :: atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } ::sumAvg: 4.645 atom: 881 76M-H N 8.263 ambi=1 { N:118.471 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.48 atom: 881 76M-H N 8.263 ambi=1 { N:118.471 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 4.77 atom: 881 76M-H N 8.263 ambi=1 { N:118.471 } atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } ::sumAvg: 4.905 atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } atom: 881 76M-H N 8.263 ambi=1 { N:118.471 } ::sumAvg: 4.905 atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } atom: 885 76M-HG2 G 2.609 ambi=2 { CG:31.748 } :: atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } atom: 886 76M-HG3 G 2.531 ambi=2 { CG:31.748 } ::sumAvg: 4.065 atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.895 atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } ::sumAvg: 4.985 atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.975 atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } ::sumAvg: 4.975 atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.9 atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 4.94 atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.335 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 4.335 atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.955 atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } ::sumAvg: 4.635 atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 4.635 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.895 atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.895 atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } :: atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } ::sumAvg: 4.595 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } :: atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } ::sumAvg: 3.37 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } :: atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } ::sumAvg: 4.58 atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } atom: 945 80N-HD22 D2 6.446 ambi=1 { ND2:110.594 } ::sumAvg: 4.56 atom: 945 80N-HD22 D2 6.446 ambi=1 { ND2:110.594 } atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } ::sumAvg: 4.56 atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.955 atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } :: atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } ::sumAvg: 4.85 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 2.93 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.415 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.045 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } ::sumAvg: 4.805 atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.805 atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 4.68 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 4.93 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } ::sumAvg: 4.26 atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } :: atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } ::sumAvg: 4.3 atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.38 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.34 atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.95 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.995 atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 4.905 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.905 atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.88 atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 4.25 atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } ::sumAvg: 4.585 atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } ::sumAvg: 4.585 atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } ::sumAvg: 4.955 atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } ::sumAvg: 4.955 atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } :: atom: 945 80N-HD22 D2 6.446 ambi=1 { ND2:110.594 } atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } ::sumAvg: 4.075 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } :: atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 945 80N-HD22 D2 6.446 ambi=1 { ND2:110.594 } ::sumAvg: 4.365 atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.985 atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } atom: 1146 99A-HA A 5.036 ambi=1 { CA:50.579 } ::sumAvg: 4.69 atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.8 atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.27 atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } ::sumAvg: 4.43 atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.875 atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 4.825 atom: 1134 98V-H N 7.545 ambi=1 { N:116.287 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.94 atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.645 atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.825 atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 4.91 atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } ::sumAvg: 4.3 atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } ::sumAvg: 4.3 atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.35 atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.87 atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 3.74 atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.23 atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.595 atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } ::sumAvg: 4.74 atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } :: atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } ::sumAvg: 3.625 atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } atom: 1014 87N-HD21 D2 7.759 ambi=1 { ND2:112.56 } ::sumAvg: 4.045 atom: 1014 87N-HD21 D2 7.759 ambi=1 { ND2:112.56 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } ::sumAvg: 4.045 atom: 1014 87N-HD21 D2 7.759 ambi=1 { ND2:112.56 } atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } :: atom: 1015 87N-HD22 D2 6.831 ambi=1 { ND2:112.56 } atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } ::sumAvg: 3.14 atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } ::sumAvg: 4.98 atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } ::sumAvg: 4.435 atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } :: atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } ::sumAvg: 4.995 atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } :: atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } :: atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } :: atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } ::sumAvg: 3.135 atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } :: atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } ::sumAvg: 4.135 atom: 1078 93N-H N 6.284 ambi=1 { N:109.138 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } ::sumAvg: 4.7 atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } :: atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } ::sumAvg: 4.18 atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } ::sumAvg: 3.66 atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } :: atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1081 93N-HB3 B 2.526 ambi=2 { CB:39.58 } ::sumAvg: 3.86 atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } :: atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 4.52 atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } :: atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } ::sumAvg: 4.52 atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } ::sumAvg: 4.475 atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } ::sumAvg: 4.475 atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } ::sumAvg: 4.86 atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } ::sumAvg: 4.355 atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } ::sumAvg: 4.855 atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } :: atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } ::sumAvg: 4.305 atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 4.225 atom: 1134 98V-H N 7.545 ambi=1 { N:116.287 } atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } ::sumAvg: 4.725 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } ::sumAvg: 4.325 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } :: atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } ::sumAvg: 4.335 atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } :: atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } ::sumAvg: 3.715 atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } ::sumAvg: 4.695 atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } ::sumAvg: 4.96 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.385 atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.675 atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.505 atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } ::sumAvg: 4.545 atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } ::sumAvg: 4.96 atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.345 atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } ::sumAvg: 4.15 atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } ::sumAvg: 4.195 atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } atom: 1232 107L-HG G 1.483 ambi=1 { CG:27.172 } ::sumAvg: 4.755 # Missing interactons for c_aro.peaks atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } ::sumAvg: 4.92 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 2 1M-HB2 B 2.011 ambi=2 { CB:33.147 } :: atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 3 1M-HB3 B 1.946 ambi=2 { CB:33.147 } ::sumAvg: 4.58 atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 4 1M-HG2 G 2.368 ambi=2 { CG:30.951 } :: atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 5 1M-HG3 G 2.274 ambi=2 { CG:30.951 } ::sumAvg: 3.61 atom: 26 3F-HZ Z 7.273 ambi=1 { CZ:129.94 } atom: 4 1M-HG2 G 2.368 ambi=2 { CG:30.951 } :: atom: 26 3F-HZ Z 7.273 ambi=1 { CZ:129.94 } atom: 5 1M-HG3 G 2.274 ambi=2 { CG:30.951 } ::sumAvg: 3.935 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } ::sumAvg: 3.825 atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } ::sumAvg: 4.99 atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } :: atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } ::sumAvg: 4.395 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } ::sumAvg: 2.89 atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } ::sumAvg: 4.795 atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } atom: 19 3F-HA A 4.909 ambi=1 { CA:55.763 } ::sumAvg: 4.65 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } ::sumAvg: 3.405 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } ::sumAvg: 4.405 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } ::sumAvg: 4.985 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } ::sumAvg: 2.88 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } ::sumAvg: 4.205 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } ::sumAvg: 4.95 atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } ::sumAvg: 4.52 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } :: atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } ::sumAvg: 4.56 atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } ::sumAvg: 4.675 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 4.5 atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 4.305 atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 3.49 atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 4.03 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } ::sumAvg: 4.57 atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 122 11K-HD2 D 1.546 ambi=2 { CD:28.906 } :: atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 123 11K-HD3 D 1.363 ambi=2 { CD:28.906 } ::sumAvg: 4.985 atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.415 atom: 1169 101F-HZ Z 7.452 ambi=1 { CZ:130.84 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 1169 101F-HZ Z 7.452 ambi=1 { CZ:130.84 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.72 atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } ::sumAvg: 4.99 atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } :: atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } ::sumAvg: 4.475 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 142 13P-HG2 G 2.036 ambi=2 { CG:27.136 } :: atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 143 13P-HG3 G 1.911 ambi=2 { CG:27.136 } ::sumAvg: 4.555 atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } atom: 151 14D-H N 8.783 ambi=1 { N:120.167 } ::sumAvg: 4.295 atom: 1169 101F-HZ Z 7.452 ambi=1 { CZ:130.84 } atom: 151 14D-H N 8.783 ambi=1 { N:120.167 } ::sumAvg: 3.595 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } ::sumAvg: 4.505 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 173 16V-HG1 G1 0.819 ambi=2 { CG1:22.554 } :: atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 174 16V-HG2 G2 0.92 ambi=2 { CG2:22.221 } ::sumAvg: 3.905 atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 4.825 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } ::sumAvg: 4.325 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } ::sumAvg: 4.445 atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } ::sumAvg: 4.7 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } ::sumAvg: 4.905 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } ::sumAvg: 4.155 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } ::sumAvg: 4.425 atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } ::sumAvg: 4.71 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.95 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.02 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.02 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.205 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 3.835 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.285 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.505 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.055 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.055 atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 3.805 atom: 1169 101F-HZ Z 7.452 ambi=1 { CZ:130.84 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.855 atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.125 atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.135 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 267 24Y-HH H 7.935 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.705 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 267 24Y-HH H 7.935 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.305 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 267 24Y-HH H 7.935 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.795 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } ::sumAvg: 4.93 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } ::sumAvg: 4.705 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } ::sumAvg: 4.835 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } ::sumAvg: 4.405 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } ::sumAvg: 4.38 atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 3.59 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 4.78 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.405 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.645 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.565 atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.945 atom: 303 27H-HE1 E1 8.469 ambi=1 { CE1:137.074 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 303 27H-HE1 E1 8.469 ambi=1 { CE1:137.074 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 4.725 atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 303 27H-HE1 E1 8.469 ambi=1 { CE1:137.074 } ::sumAvg: 4.235 atom: 303 27H-HE1 E1 8.469 ambi=1 { CE1:137.074 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } ::sumAvg: 4.235 atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.96 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.555 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } ::sumAvg: 4.55 atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.79 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } ::sumAvg: 4.01 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } ::sumAvg: 4.59 atom: 494 44Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } :: atom: 494 44Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } ::sumAvg: 4.265 atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 4.08 atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 4.49 atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 4.91 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 4.96 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 4.33 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } ::sumAvg: 4.97 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 3.765 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 4.885 atom: 494 44Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 4.495 atom: 494 44Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.31 atom: 494 44Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.57 atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.77 atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } ::sumAvg: 4.225 atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } ::sumAvg: 4.465 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } :: atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } ::sumAvg: 4.805 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.72 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.545 atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.975 atom: 805 69W-HD1 D1 6.971 ambi=1 { CD1:125.724 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 3.495 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.055 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.505 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.22 atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.37 atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.115 atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } ::sumAvg: 4.265 atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 4.495 atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.375 atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 3.335 atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.555 atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } ::sumAvg: 4.315 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } :: atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } ::sumAvg: 4.245 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } :: atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } ::sumAvg: 4.84 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } :: atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } ::sumAvg: 4.735 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } ::sumAvg: 4.69 atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } :: atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } ::sumAvg: 4.15 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 3.555 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.52 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } ::sumAvg: 4.615 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } :: atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } ::sumAvg: 2.51 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } :: atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } ::sumAvg: 4.9 atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } ::sumAvg: 4.955 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } :: atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } ::sumAvg: 4.595 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 2.8 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } ::sumAvg: 4.26 atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } ::sumAvg: 4.41 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } :: atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } ::sumAvg: 4.51 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 3.93 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } ::sumAvg: 4.9 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.19 atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.655 atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } ::sumAvg: 4.265 atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 4.265 atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } :: atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } ::sumAvg: 4.44 atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.81 atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.955 atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } ::sumAvg: 4.88 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } :: atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } ::sumAvg: 4.81 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } ::sumAvg: 4.965 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.845 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.395 atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 3.79 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.045 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.17 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.29 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 2.85 atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 4.805 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.935 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 2.95 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } ::sumAvg: 4.515 atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.815 atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } ::sumAvg: 4.725 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.645 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 4.82 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.965 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 4.395 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 3.635 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 2.995 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } :: atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } ::sumAvg: 4.875 atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } ::sumAvg: 4.985 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } ::sumAvg: 4.985 atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 4.265 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } ::sumAvg: 4.265 atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 4.9 atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 4.99 atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 3.955 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 3.745 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 4.365 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 3.73 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.72 atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 4.72 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } :: atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } ::sumAvg: 4.61 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 3.31 atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 3.34 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } ::sumAvg: 4.265 atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 4.265 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.785 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 4.965 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } ::sumAvg: 4.79 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 4.23 atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 4.23 atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 4.455 atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.945 atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 875 75G-H N 8.735 ambi=1 { N:109.437 } ::sumAvg: 4.195 atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } :: atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } ::sumAvg: 4.305 atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 881 76M-H N 8.263 ambi=1 { N:118.471 } ::sumAvg: 4.48 atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } atom: 881 76M-H N 8.263 ambi=1 { N:118.471 } ::sumAvg: 4.77 atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.64 atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } ::sumAvg: 3.235 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.045 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } :: atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } ::sumAvg: 4.155 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.28 atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 4.23 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 4.385 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } ::sumAvg: 3.6 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.405 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } ::sumAvg: 4.505 atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 4.83 atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } ::sumAvg: 4.545 # Missing interactons for c_ali.peaks atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } atom: 10 2E-HB2 B 1.863 ambi=2 { CB:31.573 } :: atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } atom: 11 2E-HB3 B 1.694 ambi=2 { CB:31.573 } ::sumAvg: 4.61 atom: 10 2E-HB2 B 1.863 ambi=2 { CB:31.573 } atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } :: atom: 11 2E-HB3 B 1.694 ambi=2 { CB:31.573 } atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } ::sumAvg: 4.61 atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } ::sumAvg: 4.415 atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } ::sumAvg: 4.415 atom: 1 1M-HA A 3.999 ambi=1 { CA:55.11 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } ::sumAvg: 4.92 atom: 2 1M-HB2 B 2.011 ambi=2 { CB:33.147 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } :: atom: 3 1M-HB3 B 1.946 ambi=2 { CB:33.147 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } ::sumAvg: 4.975 atom: 2 1M-HB2 B 2.011 ambi=2 { CB:33.147 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } :: atom: 3 1M-HB3 B 1.946 ambi=2 { CB:33.147 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 4.58 atom: 10 2E-HB2 B 1.863 ambi=2 { CB:31.573 } atom: 19 3F-HA A 4.909 ambi=1 { CA:55.763 } :: atom: 11 2E-HB3 B 1.694 ambi=2 { CB:31.573 } atom: 19 3F-HA A 4.909 ambi=1 { CA:55.763 } ::sumAvg: 4.47 atom: 377 34I-HB B 1.471 ambi=1 { CB:40.871 } atom: 12 2E-QG G 2.198 ambi=2 { CG:36.021 } ::sumAvg: 3.535 atom: 12 2E-QG G 2.198 ambi=2 { CG:36.021 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } ::sumAvg: 4.06 atom: 12 2E-QG G 2.198 ambi=2 { CG:36.021 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 3.715 atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } :: atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } ::sumAvg: 4.675 atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } ::sumAvg: 4.99 atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } ::sumAvg: 4.28 atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 4.66 atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } atom: 9 2E-HA A 4.548 ambi=1 { CA:55.411 } ::sumAvg: 4.66 atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } :: atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } ::sumAvg: 4.395 atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } :: atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } :: atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } :: atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } ::sumAvg: 4.82 atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } :: atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } :: atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } :: atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } ::sumAvg: 4.82 atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } :: atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } ::sumAvg: 4.89 atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } :: atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } ::sumAvg: 4.89 atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } :: atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } ::sumAvg: 3.805 atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } atom: 20 3F-HB2 B 3.331 ambi=2 { CB:42.184 } :: atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } atom: 21 3F-HB3 B 2.587 ambi=2 { CB:42.184 } ::sumAvg: 3.805 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } ::sumAvg: 4.63 atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } ::sumAvg: 4.72 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 18 3F-H N 8.282 ambi=1 { N:117.356 } ::sumAvg: 4.5 atom: 19 3F-HA A 4.909 ambi=1 { CA:55.763 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } ::sumAvg: 4.65 atom: 19 3F-HA A 4.909 ambi=1 { CA:55.763 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 3.82 atom: 19 3F-HA A 4.909 ambi=1 { CA:55.763 } atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } ::sumAvg: 4.715 atom: 19 3F-HA A 4.909 ambi=1 { CA:55.763 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.24 atom: 1034 89V-HG1 G1 0.847 ambi=2 { CG1:21.392 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } :: atom: 1035 89V-HG2 G2 0.923 ambi=2 { CG2:20.542 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 4.3 atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 4.985 atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 2.88 atom: 1045 90V-HG1 G1 0.813 ambi=2 { CG1:21.18 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } :: atom: 1046 90V-HG2 G2 1.013 ambi=2 { CG2:21.2 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 3.11 atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 4.205 atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 4.95 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 22 3F-QD D 7.195 ambi=3 { CD1:131.613 } ::sumAvg: 4.52 atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } ::sumAvg: 3.23 atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 24 3F-QE E 7.277 ambi=3 { CE1:131.681 } ::sumAvg: 4.355 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } :: atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } ::sumAvg: 2.28 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } ::sumAvg: 4.26 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } :: atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } ::sumAvg: 3.505 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } ::sumAvg: 3.765 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } ::sumAvg: 3.765 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 2.425 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 3.755 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 3.48 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 2.005 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 4.135 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } ::sumAvg: 3.625 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 377 34I-HB B 1.471 ambi=1 { CB:40.871 } ::sumAvg: 4.99 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } ::sumAvg: 2.335 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 4.71 atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } ::sumAvg: 4.71 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } :: atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } ::sumAvg: 3.94 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } ::sumAvg: 4.435 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } ::sumAvg: 4.435 atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.185 atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 36 4P-HA A 4.771 ambi=1 { CA:62.812 } ::sumAvg: 4.185 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.015 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } :: atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } ::sumAvg: 3.43 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } ::sumAvg: 4.03 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } ::sumAvg: 2.98 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } ::sumAvg: 2.98 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.52 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 3.95 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } :: atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } ::sumAvg: 3.95 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } ::sumAvg: 4.325 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } ::sumAvg: 4.535 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 4.395 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } ::sumAvg: 4.07 atom: 37 4P-HB2 B 2.362 ambi=2 { CB:33.831 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } :: atom: 38 4P-HB3 B 1.531 ambi=2 { CB:33.831 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } ::sumAvg: 4.605 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } ::sumAvg: 4.43 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.925 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } ::sumAvg: 4.925 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 4.845 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 4.51 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } ::sumAvg: 4.51 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } ::sumAvg: 2.615 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 4.345 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } ::sumAvg: 4.345 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } ::sumAvg: 3.97 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 2.82 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 3.37 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } ::sumAvg: 3.37 atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } ::sumAvg: 4.37 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 1078 93N-H N 6.284 ambi=1 { N:109.138 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 1078 93N-H N 6.284 ambi=1 { N:109.138 } ::sumAvg: 4.115 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } ::sumAvg: 4.99 atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } :: atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } ::sumAvg: 4.99 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } ::sumAvg: 4.73 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } ::sumAvg: 4.22 atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } :: atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.67 atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } :: atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } ::sumAvg: 4.315 atom: 39 4P-HG2 G 2.014 ambi=2 { CG:27.063 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } :: atom: 40 4P-HG3 G 1.858 ambi=2 { CG:27.063 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 3.725 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } ::sumAvg: 4.735 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 381 34I-HD1 D1 0.798 ambi=1 { CD1:12.115 } ::sumAvg: 3.03 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } ::sumAvg: 4.67 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } ::sumAvg: 4.86 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1045 90V-HG1 G1 0.813 ambi=2 { CG1:21.18 } :: atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1046 90V-HG2 G2 1.013 ambi=2 { CG2:21.2 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1045 90V-HG1 G1 0.813 ambi=2 { CG1:21.18 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1046 90V-HG2 G2 1.013 ambi=2 { CG2:21.2 } ::sumAvg: 4.81 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } ::sumAvg: 4.81 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } ::sumAvg: 4.875 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } ::sumAvg: 4.875 atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } :: atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } ::sumAvg: 4.105 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1064 92L-H N 8.125 ambi=1 { N:116.288 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1064 92L-H N 8.125 ambi=1 { N:116.288 } ::sumAvg: 4.515 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } ::sumAvg: 4.835 atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } :: atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.75 atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 41 4P-HD2 D 4.33 ambi=2 { CD:50.139 } :: atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 42 4P-HD3 D 3.715 ambi=2 { CD:50.139 } ::sumAvg: 4.75 atom: 50 5D-HB2 B 2.753 ambi=2 { CB:42.145 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } :: atom: 51 5D-HB3 B 2.662 ambi=2 { CB:42.145 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 2.885 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 4.32 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 3.71 atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 4.395 atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 4.025 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 4.85 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 4.975 atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 48 5D-H N 7.928 ambi=1 { N:113.214 } ::sumAvg: 4.405 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } :: atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } ::sumAvg: 4.925 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.485 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.485 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } ::sumAvg: 4.745 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.745 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } ::sumAvg: 4.495 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } ::sumAvg: 4.725 atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.725 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.695 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 4.755 atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 4.755 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } :: atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } ::sumAvg: 4.02 atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } ::sumAvg: 3.695 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.205 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } :: atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 1081 93N-HB3 B 2.526 ambi=2 { CB:39.58 } ::sumAvg: 4.8 atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } :: atom: 49 5D-HA A 4.913 ambi=1 { CA:56.666 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } ::sumAvg: 4.57 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } ::sumAvg: 4.79 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.125 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 2.645 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.58 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } ::sumAvg: 4.88 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 4.67 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 4.445 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.19 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } ::sumAvg: 4.87 atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } :: atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 4.125 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 61 6L-HD1 D1 1.028 ambi=2 { CD1:26.184 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 62 6L-HD2 D2 0.863 ambi=2 { CD2:23.893 } ::sumAvg: 4.51 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 56 6L-H N 8.835 ambi=1 { N:125.96 } ::sumAvg: 4.68 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 4.46 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.46 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } ::sumAvg: 4.715 atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.715 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.925 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.27 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.27 atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 3.75 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 3.75 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 57 6L-HA A 5.443 ambi=1 { CA:53.803 } ::sumAvg: 4.075 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 4.465 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } ::sumAvg: 4.465 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } :: atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } ::sumAvg: 4.435 atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } ::sumAvg: 4.435 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 4.635 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } ::sumAvg: 4.635 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 3.36 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 3.355 atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } ::sumAvg: 4.27 atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } ::sumAvg: 4.27 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.38 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } :: atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } ::sumAvg: 4.38 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } ::sumAvg: 4.645 atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } :: atom: 58 6L-HB2 B 1.906 ambi=2 { CB:43.299 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } :: atom: 59 6L-HB3 B 1.308 ambi=2 { CB:43.299 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } ::sumAvg: 3.655 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.76 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } ::sumAvg: 4.76 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.41 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.38 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } ::sumAvg: 4.38 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 4.605 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } ::sumAvg: 4.95 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } ::sumAvg: 4.95 atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } ::sumAvg: 4.035 atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 60 6L-HG G 1.588 ambi=1 { CG:27.407 } ::sumAvg: 4.035 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } ::sumAvg: 2.41 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.445 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 4.445 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.94 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 3.205 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 80 8V-H N 7.567 ambi=1 { N:117.776 } ::sumAvg: 2.335 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } :: atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } ::sumAvg: 3.42 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } ::sumAvg: 4.86 atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 4.86 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } :: atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } ::sumAvg: 2.99 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } ::sumAvg: 4.855 atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 4.855 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } :: atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } ::sumAvg: 3.915 atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } ::sumAvg: 3.915 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } :: atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } ::sumAvg: 3.54 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } ::sumAvg: 4.615 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 1134 98V-H N 7.545 ambi=1 { N:116.287 } ::sumAvg: 4.895 atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 4.6 atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } :: atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } ::sumAvg: 4.6 atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } ::sumAvg: 4.585 atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } ::sumAvg: 4.585 atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } :: atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } ::sumAvg: 3.67 atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } :: atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } ::sumAvg: 4.865 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } ::sumAvg: 4.865 atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } ::sumAvg: 4.545 atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } ::sumAvg: 4.545 atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } :: atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } ::sumAvg: 2.99 atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 72 7T-HB B 4.149 ambi=1 { CB:69.914 } ::sumAvg: 2.99 atom: 71 7T-HA A 4.806 ambi=1 { CA:60.678 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 2.915 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 4.885 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 4.705 atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } :: atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 3.39 atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 4.25 atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } :: atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 4.655 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 70 7T-H N 9.148 ambi=1 { N:118.73 } ::sumAvg: 4.19 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } ::sumAvg: 4.47 atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.47 atom: 93 9E-HB2 B 1.97 ambi=2 { CB:34.854 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } :: atom: 94 9E-HB3 B 1.934 ambi=2 { CB:34.854 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.455 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } ::sumAvg: 3.795 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 3.895 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 3.895 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 4.93 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.93 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.815 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } ::sumAvg: 4.275 atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.275 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } ::sumAvg: 3.65 atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 4.39 atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } :: atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } atom: 81 8V-HA A 5.638 ambi=1 { CA:58.581 } ::sumAvg: 4.39 atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } ::sumAvg: 4.465 atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } ::sumAvg: 4.465 atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } ::sumAvg: 4.615 atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } ::sumAvg: 4.865 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } ::sumAvg: 4.15 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } ::sumAvg: 2.96 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } ::sumAvg: 3.82 atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 2.81 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 82 8V-HB B 1.758 ambi=1 { CB:36.2 } ::sumAvg: 4.995 atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.565 atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} :: atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.685 atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.1 atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } atom: 73 7T-HG1 G1 6.187 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.905 atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 3.58 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 4.38 atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 4.77 atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 4.77 atom: 329 29K-HE2 E 2.769 ambi=2 { CE:42.15 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } :: atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 3.45 atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 4.21 atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 74 7T-HG2 G2 1.057 ambi=1 { CG2:18.757 } ::sumAvg: 4.47 atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } atom: 80 8V-H N 7.567 ambi=1 { N:117.776 } ::sumAvg: 4.95 atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 80 8V-H N 7.567 ambi=1 { N:117.776 } ::sumAvg: 4.32 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 80 8V-H N 7.567 ambi=1 { N:117.776 } ::sumAvg: 4.985 atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } ::sumAvg: 4.595 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } ::sumAvg: 4.64 atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.86 atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } atom: 92 9E-HA A 4.573 ambi=1 { CA:55.269 } ::sumAvg: 4.86 atom: 93 9E-HB2 B 1.97 ambi=2 { CB:34.854 } atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } :: atom: 94 9E-HB3 B 1.934 ambi=2 { CB:34.854 } atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } ::sumAvg: 4.605 atom: 93 9E-HB2 B 1.97 ambi=2 { CB:34.854 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 93 9E-HB2 B 1.97 ambi=2 { CB:34.854 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } :: atom: 94 9E-HB3 B 1.934 ambi=2 { CB:34.854 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 94 9E-HB3 B 1.934 ambi=2 { CB:34.854 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.945 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 93 9E-HB2 B 1.97 ambi=2 { CB:34.854 } :: atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 94 9E-HB3 B 1.934 ambi=2 { CB:34.854 } ::sumAvg: 4.62 atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } :: atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } ::sumAvg: 4.515 atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.76 atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 4.105 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } :: atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } ::sumAvg: 4.105 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } :: atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } ::sumAvg: 4.695 atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 3.855 atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 2.93 atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 83 8V-HG1 G1 0.713 ambi=2 { CG1:21.139 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 84 8V-HG2 G2 0.698 ambi=2 { CG2:21.36 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.745 atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } :: atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } ::sumAvg: 4.815 atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } ::sumAvg: 4.85 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } ::sumAvg: 4.08 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } ::sumAvg: 4.585 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 91 9E-H N 8.377 ambi=1 { N:122.065 } ::sumAvg: 3.74 atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } ::sumAvg: 4.635 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } ::sumAvg: 3.575 atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } ::sumAvg: 4.99 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } ::sumAvg: 4.99 atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 3.97 atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } :: atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 95 9E-QG G 2.191 ambi=2 { CG:36.18 } ::sumAvg: 4.63 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } :: atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } ::sumAvg: 3.815 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } ::sumAvg: 2.91 atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } :: atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } :: atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } ::sumAvg: 4.29 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } :: atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } ::sumAvg: 4.29 atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } :: atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.56 atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 3.965 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } ::sumAvg: 3.965 atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } :: atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.845 atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } :: atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } ::sumAvg: 4.86 atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 105 10I-HG12 G1 1.479 ambi=2 { CG1:28.089 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } :: atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 106 10I-HG13 G1 0.754 ambi=2 { CG1:28.089 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } ::sumAvg: 4.29 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } ::sumAvg: 4.97 atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } :: atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } atom: 102 10I-H N 8.841 ambi=1 { N:124.576 } ::sumAvg: 4.54 atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } ::sumAvg: 4.675 atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.465 atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } ::sumAvg: 4.465 atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } atom: 103 10I-HA A 4.936 ambi=1 { CA:60.256 } ::sumAvg: 4.55 atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } ::sumAvg: 4.13 atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } ::sumAvg: 4.73 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } ::sumAvg: 4.73 atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.74 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } ::sumAvg: 4.74 atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 4.7 atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } ::sumAvg: 4.66 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 104 10I-HB B 1.488 ambi=1 { CB:41.035 } ::sumAvg: 4.66 atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 4.645 atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } ::sumAvg: 3.495 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 3.495 atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } ::sumAvg: 4.305 atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 4.39 atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } :: atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 4.39 atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } ::sumAvg: 4.98 atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } ::sumAvg: 4.185 atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } atom: 1146 99A-HA A 5.036 ambi=1 { CA:50.579 } ::sumAvg: 4.78 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 108 10I-HD1 D1 0.756 ambi=1 { CD1:15.119 } ::sumAvg: 4.525 atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } ::sumAvg: 3.54 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 3.54 atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 118 11K-HB2 B 1.792 ambi=2 { CB:36.417 } :: atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 119 11K-HB3 B 1.601 ambi=2 { CB:36.417 } ::sumAvg: 4.8 atom: 118 11K-HB2 B 1.792 ambi=2 { CB:36.417 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } :: atom: 119 11K-HB3 B 1.601 ambi=2 { CB:36.417 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 4.8 atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } ::sumAvg: 4.4 atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.47 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 4.47 atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } ::sumAvg: 4.83 atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 4.83 atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 3.245 atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 3.275 atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 4.42 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 107 10I-HG2 G2 0.43 ambi=1 { CG2:17.415 } ::sumAvg: 4.675 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } ::sumAvg: 4.85 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 116 11K-H N 8.971 ambi=1 { N:124.301 } ::sumAvg: 4.37 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 124 11K-HE2 E 2.626 ambi=2 { CE:41.939 } :: atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 125 11K-HE3 E 2.613 ambi=2 { CE:41.939 } ::sumAvg: 4.71 atom: 124 11K-HE2 E 2.626 ambi=2 { CE:41.939 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } :: atom: 125 11K-HE3 E 2.613 ambi=2 { CE:41.939 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } ::sumAvg: 4.71 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } ::sumAvg: 2.24 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.38 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } ::sumAvg: 4.38 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.57 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.42 atom: 117 11K-HA A 4.684 ambi=1 { CA:54.444 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } ::sumAvg: 3.925 atom: 118 11K-HB2 B 1.792 ambi=2 { CB:36.417 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 118 11K-HB2 B 1.792 ambi=2 { CB:36.417 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } :: atom: 119 11K-HB3 B 1.601 ambi=2 { CB:36.417 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 119 11K-HB3 B 1.601 ambi=2 { CB:36.417 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.575 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 118 11K-HB2 B 1.792 ambi=2 { CB:36.417 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 118 11K-HB2 B 1.792 ambi=2 { CB:36.417 } :: atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 119 11K-HB3 B 1.601 ambi=2 { CB:36.417 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 119 11K-HB3 B 1.601 ambi=2 { CB:36.417 } ::sumAvg: 4.575 atom: 118 11K-HB2 B 1.792 ambi=2 { CB:36.417 } atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } :: atom: 119 11K-HB3 B 1.601 ambi=2 { CB:36.417 } atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } ::sumAvg: 4.5 atom: 120 11K-HG2 G 1.174 ambi=2 { CG:24.937 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 120 11K-HG2 G 1.174 ambi=2 { CG:24.937 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } :: atom: 121 11K-HG3 G 1.127 ambi=2 { CG:24.937 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 121 11K-HG3 G 1.127 ambi=2 { CG:24.937 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.6 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 120 11K-HG2 G 1.174 ambi=2 { CG:24.937 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 120 11K-HG2 G 1.174 ambi=2 { CG:24.937 } :: atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 121 11K-HG3 G 1.127 ambi=2 { CG:24.937 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 121 11K-HG3 G 1.127 ambi=2 { CG:24.937 } ::sumAvg: 4.6 atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } atom: 122 11K-HD2 D 1.546 ambi=2 { CD:28.906 } :: atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } atom: 123 11K-HD3 D 1.363 ambi=2 { CD:28.906 } ::sumAvg: 4.435 atom: 122 11K-HD2 D 1.546 ambi=2 { CD:28.906 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } :: atom: 123 11K-HD3 D 1.363 ambi=2 { CD:28.906 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } ::sumAvg: 4.985 atom: 124 11K-HE2 E 2.626 ambi=2 { CE:41.939 } atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } :: atom: 125 11K-HE3 E 2.613 ambi=2 { CE:41.939 } atom: 133 12G-H N 7.905 ambi=1 { N:109.528 } ::sumAvg: 4.805 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } ::sumAvg: 4.435 atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.435 atom: 142 13P-HG2 G 2.036 ambi=2 { CG:27.136 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 143 13P-HG3 G 1.911 ambi=2 { CG:27.136 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 142 13P-HG2 G 2.036 ambi=2 { CG:27.136 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } :: atom: 143 13P-HG3 G 1.911 ambi=2 { CG:27.136 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 4.325 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } :: atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } ::sumAvg: 3.665 atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } :: atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } :: atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } ::sumAvg: 3.665 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } ::sumAvg: 4.415 atom: 134 12G-HA2 A 4.159 ambi=2 { CA:45.067 } atom: 1169 101F-HZ Z 7.452 ambi=1 { CZ:130.84 } :: atom: 135 12G-HA3 A 3.636 ambi=2 { CA:45.067 } atom: 1169 101F-HZ Z 7.452 ambi=1 { CZ:130.84 } ::sumAvg: 4.72 atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 173 16V-HG1 G1 0.819 ambi=2 { CG1:22.554 } :: atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 174 16V-HG2 G2 0.92 ambi=2 { CG2:22.221 } ::sumAvg: 4.555 atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.99 atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 267 24Y-HH H 7.935 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.825 atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } ::sumAvg: 4.885 atom: 139 13P-HA A 4.634 ambi=1 { CA:63.062 } atom: 1169 101F-HZ Z 7.452 ambi=1 { CZ:130.84 } ::sumAvg: 4.315 atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } :: atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } ::sumAvg: 4.81 atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } :: atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } ::sumAvg: 4.81 atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } :: atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } ::sumAvg: 4.415 atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } :: atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } ::sumAvg: 4.415 atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } :: atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.475 atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 140 13P-HB2 B 2.266 ambi=2 { CB:32.444 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } :: atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 141 13P-HB3 B 1.984 ambi=2 { CB:32.444 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.355 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 142 13P-HG2 G 2.036 ambi=2 { CG:27.136 } :: atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 143 13P-HG3 G 1.911 ambi=2 { CG:27.136 } ::sumAvg: 3.67 atom: 142 13P-HG2 G 2.036 ambi=2 { CG:27.136 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } :: atom: 143 13P-HG3 G 1.911 ambi=2 { CG:27.136 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.555 atom: 142 13P-HG2 G 2.036 ambi=2 { CG:27.136 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 142 13P-HG2 G 2.036 ambi=2 { CG:27.136 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } :: atom: 143 13P-HG3 G 1.911 ambi=2 { CG:27.136 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 143 13P-HG3 G 1.911 ambi=2 { CG:27.136 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.53 atom: 144 13P-HD2 D 3.079 ambi=2 { CD:49.245 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } :: atom: 145 13P-HD3 D 2.425 ambi=2 { CD:49.245 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } ::sumAvg: 4.23 atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } atom: 144 13P-HD2 D 3.079 ambi=2 { CD:49.245 } :: atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } atom: 144 13P-HD2 D 3.079 ambi=2 { CD:49.245 } :: atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } atom: 145 13P-HD3 D 2.425 ambi=2 { CD:49.245 } ::sumAvg: 4.705 atom: 144 13P-HD2 D 3.079 ambi=2 { CD:49.245 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } :: atom: 145 13P-HD3 D 2.425 ambi=2 { CD:49.245 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } ::sumAvg: 4.71 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 151 14D-H N 8.783 ambi=1 { N:120.167 } :: atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } atom: 151 14D-H N 8.783 ambi=1 { N:120.167 } ::sumAvg: 4.305 atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } ::sumAvg: 4.535 atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } ::sumAvg: 4.535 atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.045 atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } atom: 267 24Y-HH H 7.935 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.94 atom: 152 14D-HA A 4.948 ambi=1 { CA:54.45 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.165 atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } :: atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } ::sumAvg: 3.27 atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } :: atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } ::sumAvg: 4.7 atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } :: atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } ::sumAvg: 4.7 atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } atom: 161 15V-HB B 1.817 ambi=1 { CB:34.836 } :: atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } atom: 161 15V-HB B 1.817 ambi=1 { CB:34.836 } ::sumAvg: 4.96 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } :: atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } ::sumAvg: 4.43 atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } :: atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.78 atom: 153 14D-HB2 B 3.067 ambi=2 { CB:40.499 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } :: atom: 154 14D-HB3 B 2.797 ambi=2 { CB:40.499 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.855 atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } ::sumAvg: 4.985 atom: 173 16V-HG1 G1 0.819 ambi=2 { CG1:22.554 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } :: atom: 174 16V-HG2 G2 0.92 ambi=2 { CG2:22.221 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } ::sumAvg: 3.7 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 159 15V-H N 7.569 ambi=1 { N:122.443 } ::sumAvg: 4.24 atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } ::sumAvg: 4.435 atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } ::sumAvg: 4.18 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } ::sumAvg: 4.18 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 160 15V-HA A 5.375 ambi=1 { CA:61.542 } ::sumAvg: 3.29 atom: 161 15V-HB B 1.817 ambi=1 { CB:34.836 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } ::sumAvg: 4.755 atom: 161 15V-HB B 1.817 ambi=1 { CB:34.836 } atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } :: atom: 161 15V-HB B 1.817 ambi=1 { CB:34.836 } atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } ::sumAvg: 4.745 atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } atom: 161 15V-HB B 1.817 ambi=1 { CB:34.836 } :: atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } atom: 161 15V-HB B 1.817 ambi=1 { CB:34.836 } ::sumAvg: 4.745 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } :: atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } ::sumAvg: 3.555 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 181 17G-H N 8.563 ambi=1 { N:111.233 } :: atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } atom: 181 17G-H N 8.563 ambi=1 { N:111.233 } ::sumAvg: 4.895 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.49 atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } ::sumAvg: 4.49 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } :: atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } ::sumAvg: 4.77 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } :: atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } ::sumAvg: 4.14 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } :: atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } ::sumAvg: 3.985 atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } :: atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } ::sumAvg: 4.87 atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } atom: 162 15V-HG1 G1 0.785 ambi=2 { CG1:21.463 } :: atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } atom: 163 15V-HG2 G2 0.966 ambi=2 { CG2:21.51 } ::sumAvg: 4.87 atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } atom: 170 16V-H N 8.889 ambi=1 { N:125.587 } :: atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } atom: 170 16V-H N 8.889 ambi=1 { N:125.587 } ::sumAvg: 4.945 atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } atom: 170 16V-H N 8.889 ambi=1 { N:125.587 } :: atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } atom: 170 16V-H N 8.889 ambi=1 { N:125.587 } ::sumAvg: 4.245 atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } :: atom: 213 20K-HB3 B 1.627 ambi=2 { CB:33.308 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } ::sumAvg: 4.98 atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } ::sumAvg: 4.915 atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } atom: 171 16V-HA A 4.307 ambi=1 { CA:60.045 } ::sumAvg: 4.915 atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.585 atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } :: atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } ::sumAvg: 4.585 atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } ::sumAvg: 3.705 atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } ::sumAvg: 4.595 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } ::sumAvg: 4.595 atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 172 16V-HB B 1.811 ambi=1 { CB:36.973 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.52 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 173 16V-HG1 G1 0.819 ambi=2 { CG1:22.554 } :: atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 174 16V-HG2 G2 0.92 ambi=2 { CG2:22.221 } ::sumAvg: 4.035 atom: 173 16V-HG1 G1 0.819 ambi=2 { CG1:22.554 } atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } ::sumAvg: 3.72 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 173 16V-HG1 G1 0.819 ambi=2 { CG1:22.554 } :: atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 174 16V-HG2 G2 0.92 ambi=2 { CG2:22.221 } ::sumAvg: 4.355 atom: 173 16V-HG1 G1 0.819 ambi=2 { CG1:22.554 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } :: atom: 174 16V-HG2 G2 0.92 ambi=2 { CG2:22.221 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.19 atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } atom: 181 17G-H N 8.563 ambi=1 { N:111.233 } ::sumAvg: 4.885 atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.32 atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } ::sumAvg: 4.32 atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.505 atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } :: atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } ::sumAvg: 4.655 atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 213 20K-HB3 B 1.627 ambi=2 { CB:33.308 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } :: atom: 213 20K-HB3 B 1.627 ambi=2 { CB:33.308 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 3.58 atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } ::sumAvg: 4.885 atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } ::sumAvg: 4.885 atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } :: atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } ::sumAvg: 4.1 atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.1 atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } ::sumAvg: 4.95 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.95 atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } atom: 182 17G-HA2 A 4.625 ambi=2 { CA:44.297 } :: atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.88 atom: 1229 107L-HA A 4.265 ambi=1 { CA:55.847 } atom: 183 17G-HA3 A 3.353 ambi=2 { CA:44.297 } ::sumAvg: 4.835 atom: 214 20K-HG2 G 1.347 ambi=2 { CG:24.202 } atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } :: atom: 215 20K-HG3 G 1.149 ambi=2 { CG:24.202 } atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } ::sumAvg: 4.045 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 187 18V-H N 8.006 ambi=1 { N:120.888 } ::sumAvg: 4.585 atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.4 atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } :: atom: 213 20K-HB3 B 1.627 ambi=2 { CB:33.308 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.785 atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 214 20K-HG2 G 1.347 ambi=2 { CG:24.202 } :: atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 215 20K-HG3 G 1.149 ambi=2 { CG:24.202 } ::sumAvg: 4.535 atom: 214 20K-HG2 G 1.347 ambi=2 { CG:24.202 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } :: atom: 215 20K-HG3 G 1.149 ambi=2 { CG:24.202 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.535 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 3.69 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.685 atom: 841 72T-HA A 4.452 ambi=1 { CA:61.201 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.17 atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } ::sumAvg: 4.935 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.615 atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } :: atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } ::sumAvg: 4.66 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.66 atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } :: atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } ::sumAvg: 4.825 atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } :: atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } atom: 188 18V-HA A 3.129 ambi=1 { CA:63.972 } ::sumAvg: 4.825 atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } ::sumAvg: 4.335 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } ::sumAvg: 3.81 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } ::sumAvg: 2.835 atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 868 74E-HG2 G 2.277 ambi=2 { CG:36.368 } :: atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 869 74E-HG3 G 2.189 ambi=2 { CG:36.368 } ::sumAvg: 4.22 atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } ::sumAvg: 4.765 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } ::sumAvg: 4.765 atom: 1229 107L-HA A 4.265 ambi=1 { CA:55.847 } atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } ::sumAvg: 2.8 atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } :: atom: 189 18V-HB B 1.624 ambi=1 { CB:31.932 } atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } ::sumAvg: 2.64 atom: 214 20K-HG2 G 1.347 ambi=2 { CG:24.202 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 214 20K-HG2 G 1.347 ambi=2 { CG:24.202 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } :: atom: 215 20K-HG3 G 1.149 ambi=2 { CG:24.202 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } ::sumAvg: 4.195 atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } ::sumAvg: 4.355 atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } ::sumAvg: 4.135 atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } ::sumAvg: 2.98 atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } atom: 1230 107L-QB B 1.544 ambi=2 { CB:42.387 } :: atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } atom: 1230 107L-QB B 1.544 ambi=2 { CB:42.387 } ::sumAvg: 3.29 atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } atom: 1232 107L-HG G 1.483 ambi=1 { CG:27.172 } :: atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } atom: 1232 107L-HG G 1.483 ambi=1 { CG:27.172 } ::sumAvg: 4.055 atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } :: atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } ::sumAvg: 4.115 atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } atom: 1244 108E-QB B 1.851 ambi=2 { CB:31.127 } :: atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } atom: 1244 108E-QB B 1.851 ambi=2 { CB:31.127 } ::sumAvg: 4.995 atom: 1244 108E-QB B 1.851 ambi=2 { CB:31.127 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 1244 108E-QB B 1.851 ambi=2 { CB:31.127 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } ::sumAvg: 4.995 atom: 1246 108E-HG2 G 2.177 ambi=2 { CG:36.495 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 1247 108E-HG3 G 2.037 ambi=2 { CG:36.495 } atom: 190 18V-HG1 G1 0.798 ambi=2 { CG1:20.719 } :: atom: 1246 108E-HG2 G 2.177 ambi=2 { CG:36.495 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } :: atom: 1247 108E-HG3 G 2.037 ambi=2 { CG:36.495 } atom: 191 18V-HG2 G2 0.684 ambi=2 { CG2:22.45 } ::sumAvg: 4.59 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } ::sumAvg: 4.88 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } ::sumAvg: 4.16 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } ::sumAvg: 4.135 atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } ::sumAvg: 4.935 atom: 843 72T-HG2 G2 1.146 ambi=1 { CG2:21.552 } atom: 198 19N-H N 8.564 ambi=1 { N:117.109 } ::sumAvg: 3.88 atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 211 20K-HA A 4.488 ambi=1 { CA:53.974 } ::sumAvg: 4.565 atom: 211 20K-HA A 4.488 ambi=1 { CA:53.974 } atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } ::sumAvg: 4.565 atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } ::sumAvg: 4.96 atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 4.935 atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } ::sumAvg: 4.99 atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 841 72T-HA A 4.452 ambi=1 { CA:61.201 } ::sumAvg: 3.01 atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } ::sumAvg: 4.81 atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } ::sumAvg: 4.81 atom: 843 72T-HG2 G2 1.146 ambi=1 { CG2:21.552 } atom: 199 19N-HA A 3.97 ambi=1 { CA:55.315 } ::sumAvg: 3.005 atom: 200 19N-HB2 B 3.009 ambi=2 { CB:37.09 } atom: 214 20K-HG2 G 1.347 ambi=2 { CG:24.202 } :: atom: 200 19N-HB2 B 3.009 ambi=2 { CB:37.09 } atom: 215 20K-HG3 G 1.149 ambi=2 { CG:24.202 } :: atom: 201 19N-HB3 B 2.932 ambi=2 { CB:37.09 } atom: 214 20K-HG2 G 1.347 ambi=2 { CG:24.202 } :: atom: 201 19N-HB3 B 2.932 ambi=2 { CB:37.09 } atom: 215 20K-HG3 G 1.149 ambi=2 { CG:24.202 } ::sumAvg: 4.225 atom: 841 72T-HA A 4.452 ambi=1 { CA:61.201 } atom: 200 19N-HB2 B 3.009 ambi=2 { CB:37.09 } :: atom: 841 72T-HA A 4.452 ambi=1 { CA:61.201 } atom: 201 19N-HB3 B 2.932 ambi=2 { CB:37.09 } ::sumAvg: 4.79 atom: 200 19N-HB2 B 3.009 ambi=2 { CB:37.09 } atom: 843 72T-HG2 G2 1.146 ambi=1 { CG2:21.552 } :: atom: 201 19N-HB3 B 2.932 ambi=2 { CB:37.09 } atom: 843 72T-HG2 G2 1.146 ambi=1 { CG2:21.552 } ::sumAvg: 4.33 atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } atom: 203 19N-HD22 D2 6.861 ambi=1 { ND2:113.631 } ::sumAvg: 4.32 atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } atom: 202 19N-HD21 D2 7.525 ambi=1 { ND2:113.631 } :: atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } atom: 202 19N-HD21 D2 7.525 ambi=1 { ND2:113.631 } ::sumAvg: 4.995 atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } ::sumAvg: 4.68 atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } ::sumAvg: 4.5 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } :: atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } ::sumAvg: 3.32 atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } :: atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } atom: 210 20K-H N 7.49 ambi=1 { N:119.052 } ::sumAvg: 4.645 atom: 211 20K-HA A 4.488 ambi=1 { CA:53.974 } atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } ::sumAvg: 2.545 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 211 20K-HA A 4.488 ambi=1 { CA:53.974 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 211 20K-HA A 4.488 ambi=1 { CA:53.974 } ::sumAvg: 4.92 atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } :: atom: 213 20K-HB3 B 1.627 ambi=2 { CB:33.308 } atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } ::sumAvg: 4.7 atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 230 21L-HB3 B 1.429 ambi=2 { CB:43.114 } ::sumAvg: 4.855 atom: 230 21L-HB3 B 1.429 ambi=2 { CB:43.114 } atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } ::sumAvg: 4.855 atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } :: atom: 213 20K-HB3 B 1.627 ambi=2 { CB:33.308 } atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } ::sumAvg: 4.735 atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 212 20K-HB2 B 1.928 ambi=2 { CB:33.308 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } :: atom: 213 20K-HB3 B 1.627 ambi=2 { CB:33.308 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 4.295 atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } atom: 227 21L-H N 7.761 ambi=1 { N:122.175 } ::sumAvg: 2.67 atom: 229 21L-HB2 B 1.581 ambi=2 { CB:43.114 } atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } :: atom: 230 21L-HB3 B 1.429 ambi=2 { CB:43.114 } atom: 218 20K-QE E 2.985 ambi=2 { CE:42.322 } ::sumAvg: 4.49 atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } atom: 227 21L-H N 7.761 ambi=1 { N:122.175 } ::sumAvg: 4.995 atom: 795 68S-HB2 B 3.922 ambi=2 { CB:66.454 } atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } :: atom: 796 68S-HB3 B 3.941 ambi=2 { CB:66.454 } atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } ::sumAvg: 4.885 atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } ::sumAvg: 3.125 atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } ::sumAvg: 3.125 atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } ::sumAvg: 4.915 atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } ::sumAvg: 4.915 atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 4.115 atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 228 21L-HA A 4.355 ambi=1 { CA:55.863 } ::sumAvg: 4.115 atom: 229 21L-HB2 B 1.581 ambi=2 { CB:43.114 } atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } :: atom: 230 21L-HB3 B 1.429 ambi=2 { CB:43.114 } atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } ::sumAvg: 4.7 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 229 21L-HB2 B 1.581 ambi=2 { CB:43.114 } :: atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 230 21L-HB3 B 1.429 ambi=2 { CB:43.114 } ::sumAvg: 4.7 atom: 229 21L-HB2 B 1.581 ambi=2 { CB:43.114 } atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } :: atom: 230 21L-HB3 B 1.429 ambi=2 { CB:43.114 } atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } ::sumAvg: 4.335 atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } ::sumAvg: 3.94 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } ::sumAvg: 3.94 atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } ::sumAvg: 4.59 atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } :: atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } ::sumAvg: 3.42 atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.435 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 231 21L-HG G 1.354 ambi=1 { CG:27.425 } ::sumAvg: 4.435 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } :: atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } ::sumAvg: 4.56 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } :: atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } ::sumAvg: 4.87 atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } :: atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } ::sumAvg: 4.825 atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } :: atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.135 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } :: atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } ::sumAvg: 4.135 atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } :: atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } ::sumAvg: 4.22 atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } :: atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } ::sumAvg: 4.295 atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } atom: 232 21L-HD1 D1 0.867 ambi=2 { CD1:25.213 } :: atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } atom: 233 21L-HD2 D2 0.806 ambi=2 { CD2:25.663 } ::sumAvg: 4.295 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 2.95 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 4.91 atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } :: atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 4.94 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 4.375 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 4.85 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 4.325 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 241 22A-H N 9.241 ambi=1 { N:132.877 } ::sumAvg: 4.135 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } ::sumAvg: 2.125 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } ::sumAvg: 2.205 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } :: atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } ::sumAvg: 4.4 atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } :: atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } ::sumAvg: 4.4 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } :: atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } ::sumAvg: 4.31 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.695 atom: 242 22A-HA A 4.734 ambi=1 { CA:50.881 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.85 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } ::sumAvg: 4.145 atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.75 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } ::sumAvg: 4.75 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } ::sumAvg: 3.48 atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 4.24 atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } ::sumAvg: 4.24 atom: 243 22A-HB B 1.583 ambi=1 { CB:23.297 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } ::sumAvg: 4.14 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 248 23E-H N 7.988 ambi=1 { N:120.423 } ::sumAvg: 4.695 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 3.265 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.72 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.26 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.905 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } ::sumAvg: 4.835 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 2.375 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 795 68S-HB2 B 3.922 ambi=2 { CB:66.454 } :: atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 796 68S-HB3 B 3.941 ambi=2 { CB:66.454 } ::sumAvg: 3.89 atom: 249 23E-HA A 4.899 ambi=1 { CA:55.333 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 3.505 atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } :: atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } ::sumAvg: 4.335 atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } :: atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } ::sumAvg: 4.335 atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } :: atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } ::sumAvg: 4.83 atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } :: atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } ::sumAvg: 3.955 atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } atom: 769 66T-HG2 G2 1.102 ambi=1 { CG2:21.805 } :: atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } atom: 769 66T-HG2 G2 1.102 ambi=1 { CG2:21.805 } ::sumAvg: 4.19 atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } :: atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.56 atom: 250 23E-HB2 B 1.854 ambi=2 { CB:32.35 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } :: atom: 251 23E-HB3 B 1.679 ambi=2 { CB:32.35 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.53 atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } :: atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } ::sumAvg: 4.325 atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } :: atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.62 atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } :: atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } ::sumAvg: 4.9 atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } :: atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } ::sumAvg: 4.9 atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } :: atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } ::sumAvg: 4.45 atom: 252 23E-HG2 G 2.058 ambi=2 { CG:37.288 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } :: atom: 253 23E-HG3 G 1.941 ambi=2 { CG:37.288 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.775 atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } ::sumAvg: 4.5 atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } atom: 259 24Y-H N 8.467 ambi=1 { N:121.153 } ::sumAvg: 4.46 atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 4.71 atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } :: atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } atom: 281 25E-HG3 G 1.964 ambi=2 { CG:35.101 } ::sumAvg: 4.01 atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } :: atom: 281 25E-HG3 G 1.964 ambi=2 { CG:35.101 } atom: 260 24Y-HA A 4.508 ambi=1 { CA:57.306 } ::sumAvg: 4.01 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } :: atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } ::sumAvg: 4.53 atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } :: atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 3.905 atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } :: atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 3.735 atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.5 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } ::sumAvg: 4.5 atom: 261 24Y-HB2 B 2.102 ambi=2 { CB:43.837 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } :: atom: 262 24Y-HB3 B 0.966 ambi=2 { CB:43.837 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 4.19 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.205 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 3.62 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.505 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 263 24Y-QD D 6.296 ambi=3 { CD1:131.86 } ::sumAvg: 4.125 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 265 24Y-QE E 6.583 ambi=3 { CE1:118.104 } ::sumAvg: 3.335 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 267 24Y-HH H 7.935 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.635 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } ::sumAvg: 2.955 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } ::sumAvg: 4.94 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 276 25E-H N 8.948 ambi=1 { N:116.307 } ::sumAvg: 4.43 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.73 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 3.595 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } ::sumAvg: 4.965 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 3.755 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } ::sumAvg: 4.76 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } ::sumAvg: 4.975 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 2.595 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } ::sumAvg: 4.235 atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } ::sumAvg: 4.235 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 769 66T-HG2 G2 1.102 ambi=1 { CG2:21.805 } ::sumAvg: 2.49 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.035 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.705 atom: 277 25E-HA A 4.881 ambi=1 { CA:53.871 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.835 atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } :: atom: 279 25E-HB3 B 1.629 ambi=2 { CB:33.588 } atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } ::sumAvg: 3.33 atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } :: atom: 279 25E-HB3 B 1.629 ambi=2 { CB:33.588 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 4.64 atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } :: atom: 279 25E-HB3 B 1.629 ambi=2 { CB:33.588 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.995 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } :: atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 279 25E-HB3 B 1.629 ambi=2 { CB:33.588 } ::sumAvg: 4.995 atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } :: atom: 279 25E-HB3 B 1.629 ambi=2 { CB:33.588 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } ::sumAvg: 4.85 atom: 278 25E-HB2 B 2.021 ambi=2 { CB:33.588 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } :: atom: 279 25E-HB3 B 1.629 ambi=2 { CB:33.588 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.775 atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } :: atom: 281 25E-HG3 G 1.964 ambi=2 { CG:35.101 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.045 atom: 280 25E-HG2 G 2.294 ambi=2 { CG:35.101 } atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } :: atom: 281 25E-HG3 G 1.964 ambi=2 { CG:35.101 } atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } ::sumAvg: 4.325 atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } atom: 287 26V-H N 9.524 ambi=1 { N:123.659 } ::sumAvg: 4.72 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 3.025 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 4.54 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 4.54 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } ::sumAvg: 3.59 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } ::sumAvg: 4.785 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.78 atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.575 atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } atom: 288 26V-HA A 4.607 ambi=1 { CA:61.478 } ::sumAvg: 4.575 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.84 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 3.395 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } :: atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } ::sumAvg: 3.985 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } :: atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } ::sumAvg: 4.615 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.615 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.405 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.945 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.945 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } ::sumAvg: 4.805 atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.805 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.975 atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } ::sumAvg: 4.975 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.645 atom: 289 26V-HB B 1.905 ambi=1 { CB:32.291 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.565 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 3.925 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.705 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.08 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.29 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 4.965 atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } ::sumAvg: 2.56 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 2.56 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } ::sumAvg: 4.285 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 3.315 atom: 769 66T-HG2 G2 1.102 ambi=1 { CG2:21.805 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } ::sumAvg: 4.895 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.44 atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } :: atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.86 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.86 atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } atom: 290 26V-HG1 G1 0.581 ambi=2 { CG1:21.565 } :: atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } atom: 291 26V-HG2 G2 0.983 ambi=2 { CG2:21.67 } ::sumAvg: 4.29 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 298 27H-H N 9.519 ambi=1 { N:126.962 } ::sumAvg: 4.005 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 2.53 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } ::sumAvg: 3.75 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 3.405 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } :: atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } ::sumAvg: 4.195 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 2.72 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 3.06 atom: 299 27H-HA A 4.881 ambi=1 { CA:54.754 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } ::sumAvg: 3.735 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 303 27H-HE1 E1 8.469 ambi=1 { CE1:137.074 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 303 27H-HE1 E1 8.469 ambi=1 { CE1:137.074 } ::sumAvg: 4.725 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } ::sumAvg: 4.68 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 4.68 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 4.675 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } :: atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } ::sumAvg: 4.85 atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 4.85 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 4.175 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } ::sumAvg: 4.565 atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } ::sumAvg: 4.565 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.995 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 4.995 atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 3.785 atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 300 27H-HB2 B 3.168 ambi=2 { CB:29.169 } :: atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 301 27H-HB3 B 3.01 ambi=2 { CB:29.169 } ::sumAvg: 3.785 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 302 27H-HD2 D2 6.791 ambi=1 { CD2:116.839 } ::sumAvg: 4.96 atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.56 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 310 28V-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.885 atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } :: atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } ::sumAvg: 3.785 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } ::sumAvg: 4.49 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } ::sumAvg: 4.035 atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } :: atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } ::sumAvg: 4.57 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } ::sumAvg: 4.57 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 311 28V-HA A 4.986 ambi=1 { CA:59.533 } ::sumAvg: 4.955 atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 4.68 atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 3.65 atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } ::sumAvg: 4.905 atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } ::sumAvg: 4.905 atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.71 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 312 28V-HB B 1.817 ambi=1 { CB:33.601 } ::sumAvg: 4.71 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } :: atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } ::sumAvg: 4.79 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.83 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 4.33 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 3.395 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } ::sumAvg: 4.655 atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 4.46 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } :: atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } ::sumAvg: 4.95 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } ::sumAvg: 3.56 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 3.97 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } ::sumAvg: 3.16 atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } :: atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 4.2 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } ::sumAvg: 4.485 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 3.86 atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.56 atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 313 28V-QG G 0.867 ambi=2 { QCG:21.441 } ::sumAvg: 3.86 atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } :: atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } ::sumAvg: 4.68 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } ::sumAvg: 4.86 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 321 29K-H N 8.318 ambi=1 { N:124.169 } ::sumAvg: 3.245 atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } :: atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 4.705 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 4.155 atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } ::sumAvg: 4.905 atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } :: atom: 705 61E-HB3 B 1.664 ambi=2 { CB:31.845 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 4.83 atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } ::sumAvg: 4.975 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 4.975 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 3.52 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 322 29K-HA A 5.36 ambi=1 { CA:54.258 } ::sumAvg: 3.46 atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 329 29K-HE2 E 2.769 ambi=2 { CE:42.15 } :: atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 329 29K-HE2 E 2.769 ambi=2 { CE:42.15 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } ::sumAvg: 3.32 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } :: atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } ::sumAvg: 4.46 atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 4.525 atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } ::sumAvg: 4.825 atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 2.835 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } ::sumAvg: 2.29 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } ::sumAvg: 2.295 atom: 323 29K-HB2 B 1.678 ambi=2 { CB:36.822 } atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } :: atom: 324 29K-HB3 B 1.497 ambi=2 { CB:36.822 } atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.26 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 4.695 atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 3.6 atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } :: atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 4.78 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 325 29K-HG2 G 1.144 ambi=2 { CG:25.387 } :: atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 326 29K-HG3 G 1.127 ambi=2 { CG:25.387 } ::sumAvg: 4.78 atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } :: atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.8 atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } :: atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 4.975 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } :: atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } ::sumAvg: 4.975 atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } ::sumAvg: 4.305 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } ::sumAvg: 4.305 atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } :: atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } :: atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } ::sumAvg: 4.845 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 327 29K-HD2 D 1.529 ambi=2 { CD:29.727 } :: atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 328 29K-HD3 D 1.446 ambi=2 { CD:29.727 } ::sumAvg: 4.845 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 329 29K-HE2 E 2.769 ambi=2 { CE:42.15 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 329 29K-HE2 E 2.769 ambi=2 { CE:42.15 } :: atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } ::sumAvg: 4.245 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 329 29K-HE2 E 2.769 ambi=2 { CE:42.15 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 329 29K-HE2 E 2.769 ambi=2 { CE:42.15 } :: atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 330 29K-HE3 E 2.662 ambi=2 { CE:42.15 } ::sumAvg: 3.84 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.99 atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.82 atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 3.87 atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.8 atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } :: atom: 705 61E-HB3 B 1.664 ambi=2 { CB:31.845 } atom: 338 30N-H N 8.42 ambi=1 { N:117.63 } ::sumAvg: 4.035 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.115 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 4.435 atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 4.46 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 4.495 atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } ::sumAvg: 4.915 atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } atom: 339 30N-HA A 5.363 ambi=1 { CA:50.158 } ::sumAvg: 4.915 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 4.775 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.775 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.425 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 4.325 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } ::sumAvg: 4.925 atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.925 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 4.905 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.8 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } ::sumAvg: 4.8 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } ::sumAvg: 4.675 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.675 atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } :: atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } ::sumAvg: 4.74 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } ::sumAvg: 4.96 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } ::sumAvg: 4.035 atom: 340 30N-HB2 B 3.451 ambi=2 { CB:39.37 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } :: atom: 341 30N-HB3 B 2.373 ambi=2 { CB:39.37 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } ::sumAvg: 3.205 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.63 atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.98 atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } :: atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 4.555 atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 3.09 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 3.445 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 343 30N-HD22 D2 6.5 ambi=1 { ND2:112.03 } ::sumAvg: 3.07 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } ::sumAvg: 4.17 atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } :: atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } atom: 342 30N-HD21 D2 7.71 ambi=1 { ND2:112.03 } ::sumAvg: 4.355 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } ::sumAvg: 4.32 atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } atom: 349 31L-H N 9.4 ambi=1 { N:122.003 } ::sumAvg: 4.84 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 3.84 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 685 60K-H N 7.945 ambi=1 { N:119.243 } ::sumAvg: 4.395 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } :: atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } ::sumAvg: 4.675 atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } :: atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 4.675 atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } :: atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 3.715 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } ::sumAvg: 3.615 atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 3.615 atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } ::sumAvg: 3.535 atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } atom: 350 31L-HA A 4.272 ambi=1 { CA:54.83 } ::sumAvg: 3.535 atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 4.025 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } ::sumAvg: 4.025 atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } ::sumAvg: 4.135 atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.165 atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } ::sumAvg: 4.165 atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 1115 96N-HD21 D2 8.404 ambi=1 { ND2:115.727 } :: atom: 351 31L-QB B 1.81 ambi=2 { CB:42.492 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } ::sumAvg: 4.53 atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.655 atom: 353 31L-HG G 1.603 ambi=1 { CG:26.984 } atom: 1116 96N-HD22 D2 8.197 ambi=1 { ND2:115.727 } ::sumAvg: 4.985 atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } :: atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.62 atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } :: atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } :: atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } :: atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } ::sumAvg: 4.47 atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } :: atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } ::sumAvg: 3.895 atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } :: atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } ::sumAvg: 4.08 atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 354 31L-HD1 D1 0.901 ambi=2 { CD1:25.284 } :: atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 355 31L-HD2 D2 0.819 ambi=2 { CD2:22.371 } ::sumAvg: 4.985 atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.84 atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.285 atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.95 atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.995 atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 363 32G-H N 7.836 ambi=1 { N:104.966 } ::sumAvg: 4.315 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } ::sumAvg: 4.785 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } ::sumAvg: 4.75 atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 4.75 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } ::sumAvg: 4.13 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } :: atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } ::sumAvg: 4.13 atom: 364 32G-HA2 A 4.64 ambi=2 { CA:43.827 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } :: atom: 365 32G-HA3 A 4.159 ambi=2 { CA:43.827 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 2.45 atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 3.505 atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 4.195 atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 4.135 atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } atom: 369 33G-H N 8.3 ambi=1 { N:103.116 } ::sumAvg: 3.94 atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } ::sumAvg: 4.43 atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 377 34I-HB B 1.471 ambi=1 { CB:40.871 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 377 34I-HB B 1.471 ambi=1 { CB:40.871 } ::sumAvg: 4.825 atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } ::sumAvg: 4.235 atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } ::sumAvg: 4.41 atom: 686 60K-HA A 4.337 ambi=1 { CA:57.274 } atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } ::sumAvg: 4.41 atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } :: atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } ::sumAvg: 4.45 atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } :: atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } ::sumAvg: 2.32 atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } :: atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } :: atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } :: atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } ::sumAvg: 2.32 atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } :: atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } ::sumAvg: 3.45 atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } atom: 370 33G-HA2 A 4.192 ambi=2 { CA:45.486 } :: atom: 691 60K-QD D 1.545 ambi=2 { CD:28.554 } atom: 371 33G-HA3 A 3.739 ambi=2 { CA:45.486 } ::sumAvg: 3.45 atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } ::sumAvg: 4.8 atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } atom: 375 34I-H N 6.758 ambi=1 { N:117.237 } ::sumAvg: 3.015 atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } ::sumAvg: 3.665 atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } atom: 678 59P-HD2 D 3.567 ambi=2 { CD:49.366 } :: atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } atom: 679 59P-HD3 D 3.36 ambi=2 { CD:49.366 } ::sumAvg: 3.83 atom: 678 59P-HD2 D 3.567 ambi=2 { CD:49.366 } atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } :: atom: 679 59P-HD3 D 3.36 ambi=2 { CD:49.366 } atom: 376 34I-HA A 4.412 ambi=1 { CA:57.881 } ::sumAvg: 3.83 atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } ::sumAvg: 4.23 atom: 396 36V-HA A 4.431 ambi=1 { CA:59.176 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } :: atom: 396 36V-HA A 4.431 ambi=1 { CA:59.176 } atom: 379 34I-HG13 G1 1.084 ambi=2 { CG1:26.915 } ::sumAvg: 4.74 atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } atom: 378 34I-HG12 G1 1.34 ambi=2 { CG1:26.915 } ::sumAvg: 3.335 atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 380 34I-HG2 G2 0.903 ambi=1 { CG2:16.283 } ::sumAvg: 4.725 atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } :: atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } ::sumAvg: 3.475 atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.94 atom: 390 35G-HA2 A 3.938 ambi=2 { CA:44.718 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } :: atom: 391 35G-HA3 A 3.691 ambi=2 { CA:44.718 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } ::sumAvg: 4.41 atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 4.955 atom: 411 37P-HD2 D 3.923 ambi=2 { CD:51.321 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } :: atom: 412 37P-HD3 D 3.691 ambi=2 { CD:51.321 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 4.19 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 4.89 atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 4.56 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 4.775 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 395 36V-H N 8.873 ambi=1 { N:119.649 } ::sumAvg: 3.815 atom: 396 36V-HA A 4.431 ambi=1 { CA:59.176 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.995 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } ::sumAvg: 4.14 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 4.615 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 4.57 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.57 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.52 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.52 atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.89 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.89 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 397 36V-HB B 2.027 ambi=1 { CB:34.549 } ::sumAvg: 4.525 atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } :: atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } ::sumAvg: 4.1 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } :: atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } ::sumAvg: 4.635 atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } :: atom: 398 36V-HG1 G1 0.88 ambi=2 { CG1:21.896 } atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } :: atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } :: atom: 399 36V-HG2 G2 0.959 ambi=2 { CG2:21.855 } atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } ::sumAvg: 4.28 atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 3.565 atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.935 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 406 37P-HA A 4.251 ambi=1 { CA:64.819 } ::sumAvg: 2.515 atom: 407 37P-HB2 B 2.36 ambi=2 { CB:32.454 } atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } :: atom: 408 37P-HB3 B 1.944 ambi=2 { CB:32.454 } atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } ::sumAvg: 4.235 atom: 407 37P-HB2 B 2.36 ambi=2 { CB:32.454 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } :: atom: 408 37P-HB3 B 1.944 ambi=2 { CB:32.454 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 4.955 atom: 407 37P-HB2 B 2.36 ambi=2 { CB:32.454 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } :: atom: 408 37P-HB3 B 1.944 ambi=2 { CB:32.454 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.68 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 407 37P-HB2 B 2.36 ambi=2 { CB:32.454 } :: atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 408 37P-HB3 B 1.944 ambi=2 { CB:32.454 } ::sumAvg: 4.68 atom: 407 37P-HB2 B 2.36 ambi=2 { CB:32.454 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } :: atom: 408 37P-HB3 B 1.944 ambi=2 { CB:32.454 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } ::sumAvg: 3.5 atom: 409 37P-HG2 G 2.116 ambi=2 { CG:27.117 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 409 37P-HG2 G 2.116 ambi=2 { CG:27.117 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } :: atom: 410 37P-HG3 G 1.988 ambi=2 { CG:27.117 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 410 37P-HG3 G 1.988 ambi=2 { CG:27.117 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 4.135 atom: 411 37P-HD2 D 3.923 ambi=2 { CD:51.321 } atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } :: atom: 412 37P-HD3 D 3.691 ambi=2 { CD:51.321 } atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } ::sumAvg: 4.785 atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } atom: 411 37P-HD2 D 3.923 ambi=2 { CD:51.321 } :: atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } atom: 412 37P-HD3 D 3.691 ambi=2 { CD:51.321 } ::sumAvg: 4.785 atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } ::sumAvg: 4.825 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } ::sumAvg: 4.945 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 418 38S-H N 7.376 ambi=1 { N:108.183 } ::sumAvg: 4.965 atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } :: atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } ::sumAvg: 4.355 atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } :: atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } ::sumAvg: 4.355 atom: 419 38S-HA A 4.59 ambi=1 { CA:58.222 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } ::sumAvg: 4.235 atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 4.495 atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } :: atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.83 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 4.83 atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } :: atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 4.79 atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } :: atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } ::sumAvg: 3.935 atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 3.935 atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } :: atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } ::sumAvg: 3.525 atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 3.525 atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } :: atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } ::sumAvg: 4.675 atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } atom: 1033 89V-HB B 2.191 ambi=1 { CB:33.365 } :: atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } atom: 1033 89V-HB B 2.191 ambi=1 { CB:33.365 } ::sumAvg: 3.78 atom: 1033 89V-HB B 2.191 ambi=1 { CB:33.365 } atom: 420 38S-HB2 B 3.585 ambi=2 { CB:63.932 } :: atom: 1033 89V-HB B 2.191 ambi=1 { CB:33.365 } atom: 421 38S-HB3 B 3.549 ambi=2 { CB:63.932 } ::sumAvg: 3.78 atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } :: atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 4.63 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 3.53 atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } atom: 426 39T-H N 9.004 ambi=1 { N:122.85 } ::sumAvg: 4.78 atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } ::sumAvg: 4.445 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } ::sumAvg: 4.445 atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } :: atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } ::sumAvg: 4.12 atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 3.86 atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 3.49 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 427 39T-HA A 4.596 ambi=1 { CA:61.044 } ::sumAvg: 3.49 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } ::sumAvg: 4.925 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 4.925 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } :: atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } ::sumAvg: 4.57 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } ::sumAvg: 4.88 atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 4.88 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.785 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 3.065 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 3.455 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } :: atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } ::sumAvg: 4.305 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 4.305 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } ::sumAvg: 3.43 atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 3.43 atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 428 39T-HB B 4 ambi=1 { CB:69 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 3.97 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 428 39T-HB B 4 ambi=1 { CB:69 } ::sumAvg: 3.97 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } ::sumAvg: 3.865 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 3.865 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.205 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 4.525 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.525 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } ::sumAvg: 4.955 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.955 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.43 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.175 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 3.42 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.005 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.005 atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 3.265 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 4.355 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 429 39T-HG2 G2 0.825 ambi=1 { CG2:18.032 } ::sumAvg: 3.64 atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } ::sumAvg: 4.985 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } ::sumAvg: 4.64 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } ::sumAvg: 3.69 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } ::sumAvg: 2.87 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 435 40K-H N 7.982 ambi=1 { N:123.251 } ::sumAvg: 3.745 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } ::sumAvg: 4.9 atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } ::sumAvg: 4.9 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } ::sumAvg: 4.66 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 626 54T-H N 8.902 ambi=1 { N:120.049 } ::sumAvg: 4.955 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 629 54T-HG2 G2 1.15 ambi=1 { CG2:21.759 } ::sumAvg: 3.52 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 3.76 atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } :: atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } ::sumAvg: 3.76 atom: 436 40K-HA A 5.556 ambi=1 { CA:55.25 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 4.665 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } ::sumAvg: 3 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 4.785 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } :: atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 4.785 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 4.57 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 4.395 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.805 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.97 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } :: atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 4.97 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 3.7 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 3.33 atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } ::sumAvg: 4.79 atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } ::sumAvg: 4.79 atom: 437 40K-HB2 B 2.002 ambi=2 { CB:35.077 } atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } ::sumAvg: 4.68 atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } :: atom: 438 40K-HB3 B 1.696 ambi=2 { CB:35.077 } atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } ::sumAvg: 4.265 atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } :: atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } ::sumAvg: 4.59 atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } :: atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } ::sumAvg: 4.59 atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } :: atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } ::sumAvg: 4.225 atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } :: atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } ::sumAvg: 4.525 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 439 40K-HG2 G 1.555 ambi=2 { CG:25.471 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 440 40K-HG3 G 1.471 ambi=2 { CG:25.471 } ::sumAvg: 4.525 atom: 441 40K-HD2 D 1.647 ambi=2 { CD:29.188 } atom: 629 54T-HG2 G2 1.15 ambi=1 { CG2:21.759 } :: atom: 442 40K-HD3 D 1.635 ambi=2 { CD:29.188 } atom: 629 54T-HG2 G2 1.15 ambi=1 { CG2:21.759 } ::sumAvg: 3.94 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 441 40K-HD2 D 1.647 ambi=2 { CD:29.188 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 442 40K-HD3 D 1.635 ambi=2 { CD:29.188 } ::sumAvg: 4.815 atom: 441 40K-HD2 D 1.647 ambi=2 { CD:29.188 } atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } :: atom: 441 40K-HD2 D 1.647 ambi=2 { CD:29.188 } atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } :: atom: 442 40K-HD3 D 1.635 ambi=2 { CD:29.188 } atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } :: atom: 442 40K-HD3 D 1.635 ambi=2 { CD:29.188 } atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } ::sumAvg: 3.965 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } ::sumAvg: 4.8 atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } :: atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } ::sumAvg: 4.715 atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } :: atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } ::sumAvg: 4.715 atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } :: atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } atom: 443 40K-QE E 2.885 ambi=2 { CE:42.391 } ::sumAvg: 4.16 atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.73 atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.765 atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } :: atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 3.4 atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } :: atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 3.9 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.825 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 452 41V-H N 9.571 ambi=1 { N:127.55 } ::sumAvg: 4.605 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 4.61 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.77 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 4.52 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } ::sumAvg: 4.855 atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } ::sumAvg: 3.92 atom: 453 41V-HA A 5.212 ambi=1 { CA:60.515 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 3.905 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } ::sumAvg: 4.745 atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } ::sumAvg: 4.745 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } ::sumAvg: 4.85 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.915 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } ::sumAvg: 4.915 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.55 atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 454 41V-HB B 2.144 ambi=1 { CB:34.218 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 4.065 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } ::sumAvg: 3.73 atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } :: atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } ::sumAvg: 3.73 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } ::sumAvg: 3.055 atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } :: atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } ::sumAvg: 4.55 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } ::sumAvg: 4.915 atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } :: atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } ::sumAvg: 4.915 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.23 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 3.6 atom: 455 41V-HG1 G1 0.931 ambi=2 { CG1:20.778 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } :: atom: 456 41V-HG2 G2 0.919 ambi=2 { CG2:22.343 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 4.025 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 3.65 atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } :: atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.815 atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.98 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.835 atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.795 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.795 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.765 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 463 42R-H N 8.854 ambi=1 { N:125.941 } ::sumAvg: 4.255 atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 2.545 atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } ::sumAvg: 4.37 atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 4.815 atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } ::sumAvg: 4.865 atom: 464 42R-HA A 5.061 ambi=1 { CA:54.837 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.59 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 3.26 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } ::sumAvg: 4.555 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } :: atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } ::sumAvg: 4.985 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } :: atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } ::sumAvg: 4.025 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 3.22 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 3.645 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } ::sumAvg: 4.745 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } :: atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } ::sumAvg: 4.745 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.965 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } ::sumAvg: 4.345 atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } ::sumAvg: 4.345 atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } ::sumAvg: 4.675 atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } :: atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } ::sumAvg: 4.675 atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } :: atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 3.465 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 465 42R-HB2 B 1.847 ambi=2 { CB:34.596 } :: atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 466 42R-HB3 B 1.188 ambi=2 { CB:34.596 } ::sumAvg: 3.465 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 2.635 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 3.45 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } ::sumAvg: 4.08 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } :: atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } ::sumAvg: 3.11 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 3.295 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } :: atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } ::sumAvg: 3.295 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } ::sumAvg: 4.575 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.015 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.525 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } ::sumAvg: 4.52 atom: 467 42R-HG2 G 1.536 ambi=2 { CG:29.69 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } :: atom: 468 42R-HG3 G 1.36 ambi=2 { CG:29.69 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 3.815 atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } :: atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } ::sumAvg: 3.915 atom: 549 49L-HB2 B 1.705 ambi=2 { CB:41.012 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 550 49L-HB3 B 1.339 ambi=2 { CB:41.012 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 549 49L-HB2 B 1.705 ambi=2 { CB:41.012 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } :: atom: 550 49L-HB3 B 1.339 ambi=2 { CB:41.012 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } ::sumAvg: 4.95 atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } :: atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 3.175 atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } ::sumAvg: 3.175 atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} :: atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.4 atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } :: atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } :: atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } :: atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } ::sumAvg: 4.5 atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } :: atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } ::sumAvg: 4.5 atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } :: atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 3.98 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 469 42R-HD2 D 3.08 ambi=2 { CD:43.856 } :: atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 470 42R-HD3 D 2.999 ambi=2 { CD:43.856 } ::sumAvg: 3.98 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 4.06 atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } :: atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 4.05 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 471 42R-HE E 7.455 ambi=1 { NE:84.879 } ::sumAvg: 4.06 atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 4.98 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 4.255 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 479 43V-H N 8.451 ambi=1 { N:119.116 } ::sumAvg: 4.845 atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } :: atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } ::sumAvg: 4.61 atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } :: atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } ::sumAvg: 4.61 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } ::sumAvg: 4.635 atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.97 atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.09 atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.69 atom: 480 43V-HA A 5.118 ambi=1 { CA:60.383 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 3.825 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 4.89 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 4.31 atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } :: atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } ::sumAvg: 3.16 atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 4.565 atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.9 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } ::sumAvg: 4.9 atom: 481 43V-HB B 1.419 ambi=1 { CB:35.32 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.885 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } :: atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } ::sumAvg: 3.655 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.605 atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } ::sumAvg: 3.03 atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } ::sumAvg: 3.03 atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.975 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } ::sumAvg: 4.975 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 3.875 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 4.145 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.11 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } ::sumAvg: 4.7 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } ::sumAvg: 4.74 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 3.61 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 3.66 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.925 atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } :: atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } ::sumAvg: 4.925 atom: 482 43V-HG1 G1 0.313 ambi=2 { CG1:20.962 } atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } :: atom: 483 43V-HG2 G2 0.87 ambi=2 { CG2:23.29 } atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } ::sumAvg: 4.905 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 4.88 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 4.665 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 4.63 atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 4.745 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 3.505 atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 4.585 atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } atom: 490 44Y-H N 9.581 ambi=1 { N:127.172 } ::sumAvg: 4.915 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.44 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } ::sumAvg: 4.44 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } ::sumAvg: 4.675 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } ::sumAvg: 3.775 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 4.6 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } ::sumAvg: 4.965 atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } ::sumAvg: 4.965 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 549 49L-HB2 B 1.705 ambi=2 { CB:41.012 } :: atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 550 49L-HB3 B 1.339 ambi=2 { CB:41.012 } ::sumAvg: 4.795 atom: 549 49L-HB2 B 1.705 ambi=2 { CB:41.012 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } :: atom: 550 49L-HB3 B 1.339 ambi=2 { CB:41.012 } atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } ::sumAvg: 4.795 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 577 51K-H N 7.369 ambi=1 { N:116.05 } ::sumAvg: 4.59 atom: 491 44Y-HA A 5.057 ambi=1 { CA:55.778 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.735 atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } :: atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.54 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } :: atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } ::sumAvg: 4.54 atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } :: atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.9 atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } :: atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } ::sumAvg: 4.695 atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } :: atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 4.98 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } :: atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } ::sumAvg: 4.98 atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 2.75 atom: 492 44Y-HB2 B 2.883 ambi=2 { CB:42.364 } atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } :: atom: 493 44Y-HB3 B 2.335 ambi=2 { CB:42.364 } atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } ::sumAvg: 4.615 atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } atom: 494 44Y-QD D 6.703 ambi=3 { CD1:132.814 } ::sumAvg: 3.815 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } ::sumAvg: 4.225 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 496 44Y-QE E 6.732 ambi=3 { CE1:118.702 } ::sumAvg: 3.41 atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 4.64 atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 4.235 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 4.825 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 506 45I-H N 8.41 ambi=1 { N:118.408 } ::sumAvg: 4.93 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } :: atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } ::sumAvg: 4.485 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.485 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } ::sumAvg: 3.9 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 4.67 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 4.73 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.73 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.715 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 3.255 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 3.755 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 4.745 atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } ::sumAvg: 4.745 atom: 507 45I-HA A 4.418 ambi=1 { CA:61.22 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 3.505 atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.36 atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } :: atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } ::sumAvg: 4.485 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } ::sumAvg: 4.485 atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 4.255 atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } ::sumAvg: 3.375 atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } ::sumAvg: 3.375 atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } ::sumAvg: 4.83 atom: 508 45I-HB B 1.422 ambi=1 { CB:38.83 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.465 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.585 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.21 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } ::sumAvg: 4.835 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } :: atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } ::sumAvg: 4.835 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } ::sumAvg: 4.125 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.805 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 4.75 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } :: atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } ::sumAvg: 4.75 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } :: atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } ::sumAvg: 3.145 atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } :: atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } ::sumAvg: 4.82 atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 2.88 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 3.2 atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } ::sumAvg: 3.2 atom: 509 45I-HG12 G1 0.677 ambi=2 { CG1:26.91 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } :: atom: 510 45I-HG13 G1 0.168 ambi=2 { CG1:26.91 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.615 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } ::sumAvg: 4.31 atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.31 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 524 46N-HD21 D2 7.8 ambi=1 { ND2:111.852 } :: atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 525 46N-HD22 D2 6.16 ambi=1 { ND2:111.852 } ::sumAvg: 3.85 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 4.58 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } ::sumAvg: 4.34 atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.34 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } :: atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } ::sumAvg: 4.735 atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } :: atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.735 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.945 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 4.72 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 3.765 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 3.765 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 3.48 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.77 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.77 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.655 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 4.915 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } ::sumAvg: 4.915 atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 511 45I-HG2 G2 0.37 ambi=1 { CG2:16.769 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.9 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } ::sumAvg: 4.965 atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.965 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } ::sumAvg: 4.97 atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.97 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.9 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } ::sumAvg: 4.29 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.29 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.545 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.955 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.955 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 3.49 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } ::sumAvg: 4.055 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 4.22 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 4.29 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.29 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.37 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 4.64 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } ::sumAvg: 4.64 atom: 512 45I-HD1 D1 -1.066 ambi=1 { CD1:10.014 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 3.72 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.845 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.8 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.795 atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } :: atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 3.41 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.26 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 3.6 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 520 46N-H N 9.745 ambi=1 { N:129.504 } ::sumAvg: 4.895 atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 524 46N-HD21 D2 7.8 ambi=1 { ND2:111.852 } :: atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 525 46N-HD22 D2 6.16 ambi=1 { ND2:111.852 } ::sumAvg: 4.245 atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 534 47G-HA3 A 3.548 ambi=2 { CA:45.471 } ::sumAvg: 4.39 atom: 534 47G-HA3 A 3.548 ambi=2 { CA:45.471 } atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } ::sumAvg: 4.39 atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 4.46 atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.835 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } ::sumAvg: 4.835 atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 3.395 atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } :: atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } ::sumAvg: 4.99 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 521 46N-HA A 4.542 ambi=1 { CA:53.814 } ::sumAvg: 4.99 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 532 47G-H N 9.255 ambi=1 { N:103.19 } ::sumAvg: 4.22 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 533 47G-HA2 A 4.192 ambi=2 { CA:45.471 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 533 47G-HA2 A 4.192 ambi=2 { CA:45.471 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 534 47G-HA3 A 3.548 ambi=2 { CA:45.471 } ::sumAvg: 4.84 atom: 533 47G-HA2 A 4.192 ambi=2 { CA:45.471 } atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } :: atom: 533 47G-HA2 A 4.192 ambi=2 { CA:45.471 } atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } :: atom: 534 47G-HA3 A 3.548 ambi=2 { CA:45.471 } atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } ::sumAvg: 4.84 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 538 48T-H N 7.939 ambi=1 { N:118.684 } ::sumAvg: 3.73 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } ::sumAvg: 4.46 atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } :: atom: 540 48T-HB B 4.191 ambi=1 { CB:70.086 } atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } ::sumAvg: 4.46 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 3.25 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 4.635 atom: 522 46N-HB2 B 3.355 ambi=2 { CB:36.563 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } :: atom: 523 46N-HB3 B 2.957 ambi=2 { CB:36.563 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 3.645 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 524 46N-HD21 D2 7.8 ambi=1 { ND2:111.852 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 524 46N-HD21 D2 7.8 ambi=1 { ND2:111.852 } :: atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 525 46N-HD22 D2 6.16 ambi=1 { ND2:111.852 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 525 46N-HD22 D2 6.16 ambi=1 { ND2:111.852 } ::sumAvg: 4.335 atom: 533 47G-HA2 A 4.192 ambi=2 { CA:45.471 } atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } :: atom: 534 47G-HA3 A 3.548 ambi=2 { CA:45.471 } atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } ::sumAvg: 4.435 atom: 539 48T-HA A 4.614 ambi=1 { CA:61.965 } atom: 548 49L-HA A 3.579 ambi=1 { CA:57.48 } ::sumAvg: 4.395 atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } atom: 548 49L-HA A 3.579 ambi=1 { CA:57.48 } ::sumAvg: 4.17 atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.56 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } ::sumAvg: 3.98 atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } :: atom: 541 48T-HG2 G2 1.335 ambi=1 { CG2:22.041 } atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } ::sumAvg: 4.52 atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } atom: 547 49L-H N 9.246 ambi=1 { N:131.569 } ::sumAvg: 4.47 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 548 49L-HA A 3.579 ambi=1 { CA:57.48 } ::sumAvg: 4.41 atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } atom: 548 49L-HA A 3.579 ambi=1 { CA:57.48 } :: atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } atom: 548 49L-HA A 3.579 ambi=1 { CA:57.48 } ::sumAvg: 4.45 atom: 549 49L-HB2 B 1.705 ambi=2 { CB:41.012 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } :: atom: 550 49L-HB3 B 1.339 ambi=2 { CB:41.012 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.245 atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 3.275 atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } ::sumAvg: 4.265 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } ::sumAvg: 4.265 atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } atom: 577 51K-H N 7.369 ambi=1 { N:116.05 } ::sumAvg: 3.53 atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } ::sumAvg: 4.06 atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } ::sumAvg: 4.06 atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 4.57 atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } ::sumAvg: 4.57 atom: 551 49L-HG G 1.115 ambi=1 { CG:26.56 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } ::sumAvg: 4.945 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } :: atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } ::sumAvg: 4.52 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } ::sumAvg: 3.935 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } ::sumAvg: 4.99 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } ::sumAvg: 4.47 atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } :: atom: 552 49L-HD1 D1 0.299 ambi=2 { CD1:22.71 } atom: 599 52N-HD22 D2 6.532 ambi=1 { ND2:112.168 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } :: atom: 553 49L-HD2 D2 0.717 ambi=2 { CD2:26.096 } atom: 599 52N-HD22 D2 6.532 ambi=1 { ND2:112.168 } ::sumAvg: 3.455 atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } atom: 561 50Y-H N 9.655 ambi=1 { N:130.369 } ::sumAvg: 4.85 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } ::sumAvg: 4.655 atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } ::sumAvg: 4.655 atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } :: atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } ::sumAvg: 4.685 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 562 50Y-HA A 4.607 ambi=1 { CA:58.967 } ::sumAvg: 4.685 atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } :: atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 4.395 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } :: atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } ::sumAvg: 4.06 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 563 50Y-HB2 B 2.851 ambi=2 { CB:42.483 } :: atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 564 50Y-HB3 B 2.227 ambi=2 { CB:42.483 } ::sumAvg: 4.79 atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } ::sumAvg: 4.465 atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } ::sumAvg: 4.28 atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } :: atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } atom: 565 50Y-QD D 6.703 ambi=3 { CD1:132.814 } ::sumAvg: 4.94 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 3.175 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 4.705 atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 3.755 atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 4.785 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 567 50Y-QE E 7.05 ambi=3 { CE1:117.851 } ::sumAvg: 3.335 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 577 51K-H N 7.369 ambi=1 { N:116.05 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 577 51K-H N 7.369 ambi=1 { N:116.05 } ::sumAvg: 4.65 atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } :: atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } ::sumAvg: 4.365 atom: 578 51K-HA A 4.078 ambi=1 { CA:54.126 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.52 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } :: atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } ::sumAvg: 3.22 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.46 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } :: atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } ::sumAvg: 4.46 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } ::sumAvg: 4.33 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.245 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } ::sumAvg: 4.37 atom: 579 51K-HB2 B 0.822 ambi=2 { CB:37.004 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } :: atom: 580 51K-HB3 B 0.387 ambi=2 { CB:37.004 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.875 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 3.955 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } ::sumAvg: 4.51 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.95 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } ::sumAvg: 4.225 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } ::sumAvg: 4.84 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } ::sumAvg: 3.325 atom: 581 51K-HG2 G 0.596 ambi=2 { CG:24.122 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } :: atom: 582 51K-HG3 G 0.325 ambi=2 { CG:24.122 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.735 atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } ::sumAvg: 3.695 atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } ::sumAvg: 2.955 atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 4.02 atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } ::sumAvg: 4.685 atom: 583 51K-QD D 1.365 ambi=2 { CD:28.611 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.69 atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } :: atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } ::sumAvg: 4.735 atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } :: atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } ::sumAvg: 3.19 atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } :: atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 4.15 atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } :: atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } ::sumAvg: 4.585 atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 585 51K-HE2 E 2.693 ambi=2 { CE:42.143 } :: atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 586 51K-HE3 E 2.561 ambi=2 { CE:42.143 } ::sumAvg: 4.585 atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } atom: 594 52N-H N 7.487 ambi=1 { N:116.74 } ::sumAvg: 4.87 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 598 52N-HD21 D2 6.979 ambi=1 { ND2:112.168 } ::sumAvg: 3.87 atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } :: atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } ::sumAvg: 4.51 atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } :: atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } atom: 595 52N-HA A 5.339 ambi=1 { CA:52.384 } ::sumAvg: 4.51 atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } atom: 596 52N-QB B 2.51 ambi=2 { CB:42.844 } ::sumAvg: 4.37 atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.84 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 606 53W-H N 9.43 ambi=1 { N:120.779 } ::sumAvg: 4.5 atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } :: atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } ::sumAvg: 4.425 atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.72 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 607 53W-HA A 5.014 ambi=1 { CA:58.102 } ::sumAvg: 4.72 atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } :: atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } ::sumAvg: 4.805 atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } :: atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.9 atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } :: atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } ::sumAvg: 4.41 atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } :: atom: 627 54T-HA A 5.13 ambi=1 { CA:62.656 } atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } ::sumAvg: 4.41 atom: 608 53W-HB2 B 3.247 ambi=2 { CB:34.864 } atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } :: atom: 609 53W-HB3 B 2.802 ambi=2 { CB:34.864 } atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } ::sumAvg: 4.955 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 610 53W-HD1 D1 7.422 ambi=1 { CD1:128.051 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 610 53W-HD1 D1 7.422 ambi=1 { CD1:128.051 } ::sumAvg: 4.94 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 611 53W-HE1 E1 10.477 ambi=1 { NE1:129.726 } ::sumAvg: 4.005 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 612 53W-HE3 E3 7.359 ambi=1 { CE3:120.743 } ::sumAvg: 4.595 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } ::sumAvg: 3.945 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 613 53W-HZ2 Z2 7.553 ambi=1 { CZ2:114.558 } ::sumAvg: 4.665 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.51 atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } :: atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.9 atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } atom: 614 53W-HZ3 Z3 6.569 ambi=1 { CZ3:120.846 } ::sumAvg: 4.655 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 4.44 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 615 53W-HH2 H2 6.693 ambi=1 { CH2:122.582 } ::sumAvg: 4.81 atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } atom: 626 54T-H N 8.902 ambi=1 { N:120.049 } :: atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } atom: 626 54T-H N 8.902 ambi=1 { N:120.049 } ::sumAvg: 3.52 atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } atom: 636 55V-HA A 4.901 ambi=1 { CA:59.043 } ::sumAvg: 4.815 atom: 636 55V-HA A 4.901 ambi=1 { CA:59.043 } atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } ::sumAvg: 4.815 atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 628 54T-HB B 4.024 ambi=1 { CB:69.78 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 4.705 atom: 629 54T-HG2 G2 1.15 ambi=1 { CG2:21.759 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 4.32 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 635 55V-H N 9.045 ambi=1 { N:119.888 } ::sumAvg: 4.815 atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.395 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } ::sumAvg: 4.395 atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } ::sumAvg: 4.73 atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } ::sumAvg: 4.69 atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } ::sumAvg: 3.865 atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } ::sumAvg: 3.96 atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } :: atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } ::sumAvg: 3.955 atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 637 55V-HB B 1.97 ambi=1 { CB:36.213 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.82 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 3.68 atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } :: atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } ::sumAvg: 4.75 atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } :: atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.32 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 4.745 atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } :: atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } ::sumAvg: 3.54 atom: 638 55V-HG1 G1 0.814 ambi=2 { CG1:22.168 } atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } :: atom: 639 55V-HG2 G2 0.62 ambi=2 { CG2:19.586 } atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } ::sumAvg: 3.77 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.935 atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.69 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.42 atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.85 atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } :: atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.7 atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } :: atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } atom: 646 56S-H N 8.089 ambi=1 { N:115.648 } ::sumAvg: 4.295 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } :: atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } ::sumAvg: 4.495 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.495 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } ::sumAvg: 4.035 atom: 658 57L-HG G 1.406 ambi=1 { CG:27.264 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.035 atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 4.675 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 647 56S-HA A 4.664 ambi=1 { CA:56.069 } ::sumAvg: 4.675 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 648 56S-QB B 3.779 ambi=2 { CB:65.818 } ::sumAvg: 4.345 atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } :: atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } atom: 654 57L-H N 8.433 ambi=1 { N:122.922 } ::sumAvg: 4.865 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } :: atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } ::sumAvg: 4.385 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } ::sumAvg: 4.98 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } ::sumAvg: 2.935 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } ::sumAvg: 2.935 atom: 655 57L-HA A 4.86 ambi=1 { CA:53.578 } atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } ::sumAvg: 4.185 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } :: atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } ::sumAvg: 4.895 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } ::sumAvg: 3.86 atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } ::sumAvg: 2.805 atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } ::sumAvg: 2.805 atom: 656 57L-HB2 B 1.644 ambi=2 { CB:47.794 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } :: atom: 657 57L-HB3 B 1.4 ambi=2 { CB:47.794 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 4.86 atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 4.675 atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } atom: 713 62E-H N 8.353 ambi=1 { N:124.052 } :: atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } atom: 713 62E-H N 8.353 ambi=1 { N:124.052 } ::sumAvg: 3.935 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 659 57L-HD1 D1 0.67 ambi=2 { CD1:26.678 } :: atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 660 57L-HD2 D2 0.716 ambi=2 { CD2:24.676 } ::sumAvg: 4.845 atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } ::sumAvg: 4.885 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 668 58G-H N 9.873 ambi=1 { N:114.634 } ::sumAvg: 2.9 atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } :: atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } ::sumAvg: 4.66 atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } :: atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } ::sumAvg: 4.545 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 669 58G-HA2 A 4.29 ambi=2 { CA:44.508 } :: atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 670 58G-HA3 A 3.796 ambi=2 { CA:44.508 } ::sumAvg: 4.545 atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } atom: 679 59P-HD3 D 3.36 ambi=2 { CD:49.366 } ::sumAvg: 3.565 atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } :: atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } ::sumAvg: 4.605 atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } :: atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } ::sumAvg: 4.605 atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } :: atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } atom: 673 59P-HA A 3.919 ambi=1 { CA:63.833 } ::sumAvg: 3.77 atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } atom: 685 60K-H N 7.945 ambi=1 { N:119.243 } :: atom: 705 61E-HB3 B 1.664 ambi=2 { CB:31.845 } atom: 685 60K-H N 7.945 ambi=1 { N:119.243 } ::sumAvg: 4.795 atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } :: atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } atom: 693 60K-QE E 2.869 ambi=2 { CE:42.455 } ::sumAvg: 3.975 atom: 687 60K-HB2 B 2.003 ambi=2 { CB:29.346 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } :: atom: 688 60K-HB3 B 1.951 ambi=2 { CB:29.346 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } ::sumAvg: 4.18 atom: 689 60K-HG2 G 1.363 ambi=2 { CG:25.085 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } :: atom: 690 60K-HG3 G 1.13 ambi=2 { CG:25.085 } atom: 702 61E-H N 7.6 ambi=1 { N:121.045 } ::sumAvg: 4.9 atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 4.48 atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } ::sumAvg: 4.48 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 703 61E-HA A 4.344 ambi=1 { CA:56.685 } ::sumAvg: 4.495 atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } :: atom: 705 61E-HB3 B 1.664 ambi=2 { CB:31.845 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 4.605 atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } ::sumAvg: 4.95 atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } atom: 704 61E-HB2 B 1.95 ambi=2 { CB:31.845 } ::sumAvg: 4.95 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 3.64 atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } ::sumAvg: 3.64 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.47 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } :: atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } ::sumAvg: 4.175 atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } :: atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } ::sumAvg: 4.175 atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } :: atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } :: atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } ::sumAvg: 4.775 atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } atom: 706 61E-HG2 G 2.361 ambi=2 { CG:37.27 } :: atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } :: atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } atom: 707 61E-HG3 G 2.115 ambi=2 { CG:37.27 } ::sumAvg: 4.775 atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } atom: 713 62E-H N 8.353 ambi=1 { N:124.052 } ::sumAvg: 4.36 atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } ::sumAvg: 4.465 atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 4.465 atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 4.6 atom: 728 63K-QG G 1.316 ambi=2 { CG:26.648 } atom: 714 62E-HA A 5.242 ambi=1 { CA:53.9 } ::sumAvg: 3.825 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } ::sumAvg: 4.705 atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 715 62E-HB2 B 1.921 ambi=2 { CB:33.032 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 716 62E-HB3 B 1.818 ambi=2 { CB:33.032 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.605 atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } ::sumAvg: 4.905 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } ::sumAvg: 4.375 atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } :: atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.475 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 717 62E-HG2 G 2.014 ambi=2 { CG:36.355 } :: atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 718 62E-HG3 G 1.917 ambi=2 { CG:36.355 } ::sumAvg: 4.475 atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } :: atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } atom: 724 63K-H N 9.226 ambi=1 { N:125.754 } ::sumAvg: 4.225 atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } :: atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } ::sumAvg: 3.8 atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.42 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } ::sumAvg: 4.42 atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } atom: 743 64V-HB B 1.692 ambi=1 { CB:32.024 } ::sumAvg: 4.715 atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } :: atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } ::sumAvg: 4.88 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 725 63K-HA A 4.597 ambi=1 { CA:55.214 } ::sumAvg: 4.88 atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.67 atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } :: atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } ::sumAvg: 4.67 atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.97 atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } :: atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 727 63K-HB3 B 1.33 ambi=2 { CB:37.305 } ::sumAvg: 4.97 atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } ::sumAvg: 3.605 atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } atom: 726 63K-HB2 B 1.601 ambi=2 { CB:37.305 } ::sumAvg: 3.605 atom: 730 63K-HD2 D 1.6 ambi=2 { CD:29.113 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } :: atom: 731 63K-HD3 D 1.56 ambi=2 { CD:29.113 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } ::sumAvg: 4.26 atom: 732 63K-HE2 E 3.07 ambi=2 { CE:42.592 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } :: atom: 733 63K-HE3 E 3.033 ambi=2 { CE:42.592 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } ::sumAvg: 4.815 atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } ::sumAvg: 4.625 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 741 64V-H N 8.476 ambi=1 { N:122.489 } ::sumAvg: 4.04 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.715 atom: 757 65L-HD1 D1 -0.075 ambi=2 { CD1:24.476 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } :: atom: 758 65L-HD2 D2 0.17 ambi=2 { CD2:21.991 } atom: 742 64V-HA A 4.175 ambi=1 { CA:61.759 } ::sumAvg: 4.36 atom: 743 64V-HB B 1.692 ambi=1 { CB:32.024 } atom: 752 65L-H N 8.815 ambi=1 { N:131.096 } ::sumAvg: 4.295 atom: 743 64V-HB B 1.692 ambi=1 { CB:32.024 } atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } ::sumAvg: 4.915 atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } atom: 743 64V-HB B 1.692 ambi=1 { CB:32.024 } ::sumAvg: 4.915 atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } ::sumAvg: 3.88 atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 3.88 atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } :: atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } ::sumAvg: 4.905 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.905 atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } ::sumAvg: 4.95 atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 756 65L-HG G 0.96 ambi=1 { CG:25.898 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.95 atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 766 66T-H N 8.373 ambi=1 { N:113.604 } ::sumAvg: 4.475 atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } :: atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.515 atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 744 64V-HG1 G1 0.291 ambi=2 { CG1:20.906 } :: atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 745 64V-HG2 G2 0.233 ambi=2 { CG2:20.703 } ::sumAvg: 4.515 atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.45 atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 753 65L-HA A 4.466 ambi=1 { CA:52.528 } ::sumAvg: 4.45 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.655 atom: 754 65L-HB2 B 0.774 ambi=2 { CB:41.644 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } :: atom: 755 65L-HB3 B -0.111 ambi=2 { CB:41.644 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.81 atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } ::sumAvg: 4.54 atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } :: atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } ::sumAvg: 4.54 atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 3.425 atom: 767 66T-HA A 5.446 ambi=1 { CA:60.271 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.845 atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } ::sumAvg: 4.03 atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 768 66T-HB B 4.252 ambi=1 { CB:71.34 } ::sumAvg: 4.03 atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } :: atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 3.38 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 775 67F-H N 8.68 ambi=1 { N:116.946 } ::sumAvg: 4.695 atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.415 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 776 67F-HA A 5.341 ambi=1 { CA:56.742 } ::sumAvg: 4.415 atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } :: atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } atom: 781 67F-QE E 6.767 ambi=3 { CE1:130.82 } ::sumAvg: 4.395 atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } :: atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.685 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 777 67F-HB2 B 3.479 ambi=2 { CB:42.486 } :: atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 778 67F-HB3 B 3.385 ambi=2 { CB:42.486 } ::sumAvg: 4.685 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.045 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.29 atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 779 67F-QD D 7.274 ambi=3 { CD1:132.238 } ::sumAvg: 4.805 atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } ::sumAvg: 4.725 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 783 67F-HZ Z 6.549 ambi=1 { CZ:129.788 } ::sumAvg: 4.9 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 793 68S-H N 9.063 ambi=1 { N:115.447 } ::sumAvg: 4.98 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.43 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.43 atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 4.475 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 794 68S-HA A 5.884 ambi=1 { CA:56.269 } ::sumAvg: 4.475 atom: 795 68S-HB2 B 3.922 ambi=2 { CB:66.454 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } :: atom: 796 68S-HB3 B 3.941 ambi=2 { CB:66.454 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.695 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 795 68S-HB2 B 3.922 ambi=2 { CB:66.454 } :: atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 796 68S-HB3 B 3.941 ambi=2 { CB:66.454 } ::sumAvg: 4.695 atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 801 69W-H N 9.641 ambi=1 { N:127.663 } ::sumAvg: 4.965 atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.96 atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } atom: 802 69W-HA A 5.004 ambi=1 { CA:57.366 } ::sumAvg: 4.645 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.915 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } ::sumAvg: 4.91 atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 4.91 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 4.265 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 4.265 atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } :: atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 4.055 atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 803 69W-HB2 B 3.217 ambi=2 { CB:31.998 } :: atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 804 69W-HB3 B 3.095 ambi=2 { CB:31.998 } ::sumAvg: 4.055 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.59 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 806 69W-HE1 E1 9.855 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.295 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } ::sumAvg: 4.695 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } :: atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } ::sumAvg: 4.395 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 807 69W-HE3 E3 7.406 ambi=1 { CE3:119.664 } ::sumAvg: 3.635 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } ::sumAvg: 2.895 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } :: atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } ::sumAvg: 4.9 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } ::sumAvg: 4.99 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 808 69W-HZ2 Z2 6.328 ambi=1 { CZ2:113.28 } ::sumAvg: 3.955 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 3.925 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } :: atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 3.745 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 4.365 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 3.73 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 809 69W-HZ3 Z3 6.751 ambi=1 { CZ3:120.677 } ::sumAvg: 3.34 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 4.785 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 2.985 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } :: atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 3.995 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 4.965 atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 4.455 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 810 69W-HH2 H2 5.946 ambi=1 { CH2:123.627 } ::sumAvg: 3.99 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } ::sumAvg: 4.9 atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } :: atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 820 70T-H N 7.923 ambi=1 { N:124.513 } ::sumAvg: 4.135 atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.565 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } ::sumAvg: 4.565 atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } :: atom: 821 70T-HA A 4.934 ambi=1 { CA:57.926 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 4.275 atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 4.725 atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } ::sumAvg: 4.725 atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } atom: 843 72T-HG2 G2 1.146 ambi=1 { CG2:21.552 } ::sumAvg: 3.73 atom: 843 72T-HG2 G2 1.146 ambi=1 { CG2:21.552 } atom: 822 70T-HB B 3.813 ambi=1 { CB:69.883 } ::sumAvg: 3.73 atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.215 atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } ::sumAvg: 4.29 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } ::sumAvg: 4.29 atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } ::sumAvg: 3.71 atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } atom: 823 70T-HG2 G2 0.673 ambi=1 { CG2:19.865 } ::sumAvg: 4.835 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } :: atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 3.855 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 3.705 atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 3.705 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 841 72T-HA A 4.452 ambi=1 { CA:61.201 } ::sumAvg: 4.495 atom: 843 72T-HG2 G2 1.146 ambi=1 { CG2:21.552 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.125 atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 4.945 atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } :: atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } atom: 828 71P-HA A 3.91 ambi=1 { CA:61.314 } ::sumAvg: 4.3 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 833 71P-HD2 D 4.004 ambi=2 { CD:49.606 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 834 71P-HD3 D 1.965 ambi=2 { CD:49.606 } ::sumAvg: 3.03 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } ::sumAvg: 3.97 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 841 72T-HA A 4.452 ambi=1 { CA:61.201 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 841 72T-HA A 4.452 ambi=1 { CA:61.201 } ::sumAvg: 4.875 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } ::sumAvg: 3.49 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.29 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } :: atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } ::sumAvg: 4.29 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.565 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 3.995 atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } :: atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } ::sumAvg: 3.985 atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 829 71P-HB2 B 1.258 ambi=2 { CB:32.974 } :: atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 830 71P-HB3 B 1.13 ambi=2 { CB:32.974 } ::sumAvg: 3.985 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } ::sumAvg: 4.225 atom: 831 71P-HG2 G 1.52 ambi=2 { CG:26.753 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } :: atom: 832 71P-HG3 G 0.593 ambi=2 { CG:26.753 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } ::sumAvg: 4.715 atom: 851 73Q-HB2 B 2.066 ambi=2 { CB:32.427 } atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } :: atom: 852 73Q-HB3 B 1.998 ambi=2 { CB:32.427 } atom: 840 72T-H N 8.426 ambi=1 { N:108.519 } ::sumAvg: 4.7 atom: 842 72T-HB B 4.497 ambi=1 { CB:69.843 } atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } ::sumAvg: 4.09 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 849 73Q-H N 7.108 ambi=1 { N:118.466 } ::sumAvg: 4.89 atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 855 73Q-HE21 E2 7.614 ambi=1 { NE2:112.464 } ::sumAvg: 4.565 atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.365 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } ::sumAvg: 4.365 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } ::sumAvg: 4.59 atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 868 74E-HG2 G 2.277 ambi=2 { CG:36.368 } :: atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 869 74E-HG3 G 2.189 ambi=2 { CG:36.368 } ::sumAvg: 4.69 atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } :: atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } ::sumAvg: 4.705 atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } :: atom: 850 73Q-HA A 4.627 ambi=1 { CA:54.625 } atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } ::sumAvg: 4.545 atom: 851 73Q-HB2 B 2.066 ambi=2 { CB:32.427 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } :: atom: 852 73Q-HB3 B 1.998 ambi=2 { CB:32.427 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.975 atom: 851 73Q-HB2 B 2.066 ambi=2 { CB:32.427 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } :: atom: 852 73Q-HB3 B 1.998 ambi=2 { CB:32.427 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 3.865 atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } :: atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } ::sumAvg: 4.145 atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } :: atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } atom: 864 74E-H N 9.707 ambi=1 { N:127.003 } ::sumAvg: 3.63 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } ::sumAvg: 4.355 atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.355 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.955 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } ::sumAvg: 4.78 atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.78 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } ::sumAvg: 4.84 atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } ::sumAvg: 4.385 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.385 atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } :: atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } atom: 865 74E-HA A 3.983 ambi=1 { CA:57.217 } ::sumAvg: 4.57 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } :: atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } ::sumAvg: 4.16 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } ::sumAvg: 4.065 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } :: atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } ::sumAvg: 3.105 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 1229 107L-HA A 4.265 ambi=1 { CA:55.847 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 1229 107L-HA A 4.265 ambi=1 { CA:55.847 } ::sumAvg: 3.69 atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } :: atom: 866 74E-HB2 B 2.083 ambi=2 { CB:30.502 } atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 1233 107L-HD1 D1 0.896 ambi=2 { CD1:24.466 } :: atom: 867 74E-HB3 B 2.039 ambi=2 { CB:30.502 } atom: 1234 107L-HD2 D2 0.865 ambi=2 { CD2:24.351 } ::sumAvg: 2.695 atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } atom: 868 74E-HG2 G 2.277 ambi=2 { CG:36.368 } :: atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } atom: 868 74E-HG2 G 2.277 ambi=2 { CG:36.368 } :: atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } atom: 869 74E-HG3 G 2.189 ambi=2 { CG:36.368 } :: atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } atom: 869 74E-HG3 G 2.189 ambi=2 { CG:36.368 } ::sumAvg: 4.89 atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } atom: 875 75G-H N 8.735 ambi=1 { N:109.437 } ::sumAvg: 4.835 atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } atom: 875 75G-H N 8.735 ambi=1 { N:109.437 } ::sumAvg: 4.405 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 875 75G-H N 8.735 ambi=1 { N:109.437 } ::sumAvg: 4.39 atom: 1220 106V-HG1 G1 0.851 ambi=2 { CG1:21.495 } atom: 875 75G-H N 8.735 ambi=1 { N:109.437 } :: atom: 1221 106V-HG2 G2 0.613 ambi=2 { CG2:18.146 } atom: 875 75G-H N 8.735 ambi=1 { N:109.437 } ::sumAvg: 4.965 atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } :: atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } ::sumAvg: 4.375 atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } :: atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.305 atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } :: atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 3.445 atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } :: atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } ::sumAvg: 4.485 atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 876 75G-HA2 A 4.46 ambi=2 { CA:44.543 } :: atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 877 75G-HA3 A 3.906 ambi=2 { CA:44.543 } ::sumAvg: 4.41 atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.425 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } ::sumAvg: 4.425 atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 4.56 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } ::sumAvg: 4.56 atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } :: atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } atom: 882 76M-HA A 5.54 ambi=1 { CA:53.774 } ::sumAvg: 4.2 atom: 883 76M-HB2 B 2.005 ambi=2 { CB:32.227 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } :: atom: 884 76M-HB3 B 1.932 ambi=2 { CB:32.227 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.725 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 883 76M-HB2 B 2.005 ambi=2 { CB:32.227 } :: atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 884 76M-HB3 B 1.932 ambi=2 { CB:32.227 } ::sumAvg: 4.725 atom: 883 76M-HB2 B 2.005 ambi=2 { CB:32.227 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } :: atom: 884 76M-HB3 B 1.932 ambi=2 { CB:32.227 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } ::sumAvg: 4.43 atom: 885 76M-HG2 G 2.609 ambi=2 { CG:31.748 } atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } :: atom: 885 76M-HG2 G 2.609 ambi=2 { CG:31.748 } atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } :: atom: 886 76M-HG3 G 2.531 ambi=2 { CG:31.748 } atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } :: atom: 886 76M-HG3 G 2.531 ambi=2 { CG:31.748 } atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } ::sumAvg: 4.725 atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } atom: 885 76M-HG2 G 2.609 ambi=2 { CG:31.748 } :: atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } atom: 885 76M-HG2 G 2.609 ambi=2 { CG:31.748 } :: atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } atom: 886 76M-HG3 G 2.531 ambi=2 { CG:31.748 } :: atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } atom: 886 76M-HG3 G 2.531 ambi=2 { CG:31.748 } ::sumAvg: 4.725 atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.95 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } ::sumAvg: 4.95 atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.245 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } ::sumAvg: 4.245 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } ::sumAvg: 3.63 atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } ::sumAvg: 4.35 atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.895 atom: 887 76M-HE E 1.988 ambi=1 { CE:15.95 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.205 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } ::sumAvg: 4.895 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } ::sumAvg: 4.985 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } ::sumAvg: 3.74 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } ::sumAvg: 4.29 atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } :: atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } atom: 894 77Y-H N 9.685 ambi=1 { N:124.81 } ::sumAvg: 3.695 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 4.64 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } :: atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } ::sumAvg: 4.43 atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } :: atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } ::sumAvg: 4.43 atom: 895 77Y-HA A 4.973 ambi=1 { CA:56.639 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } ::sumAvg: 4.9 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 900 77Y-QE E 6.915 ambi=3 { CE1:117.366 } ::sumAvg: 4.405 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.65 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 3.84 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 4.395 atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } :: atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } ::sumAvg: 4.395 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } ::sumAvg: 4.05 atom: 896 77Y-HB2 B 2.933 ambi=2 { CB:41.785 } atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } :: atom: 897 77Y-HB3 B 2.455 ambi=2 { CB:41.785 } atom: 1206 105V-H N 9.253 ambi=1 { N:127.805 } ::sumAvg: 4.94 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.51 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.2 atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } atom: 898 77Y-QD D 7.174 ambi=3 { CD1:134.743 } ::sumAvg: 4.35 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 4.415 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 4.925 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 910 78R-H N 8.571 ambi=1 { N:122.907 } ::sumAvg: 4.955 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 916 78R-HD2 D 3.139 ambi=2 { CD:43.151 } :: atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 917 78R-HD3 D 3.041 ambi=2 { CD:43.151 } ::sumAvg: 3.505 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } ::sumAvg: 4.63 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 3.96 atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.55 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } ::sumAvg: 4.895 atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 4.58 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 4.58 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 911 78R-HA A 5.06 ambi=1 { CA:55.062 } ::sumAvg: 3.985 atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } :: atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.27 atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } :: atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 3.8 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } :: atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } ::sumAvg: 3.8 atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } :: atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } :: atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } :: atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } ::sumAvg: 4.315 atom: 912 78R-HB2 B 1.862 ambi=2 { CB:31.592 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } :: atom: 913 78R-HB3 B 1.718 ambi=2 { CB:31.592 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } ::sumAvg: 4.595 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 4.295 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.58 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.785 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 4.86 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } :: atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 945 80N-HD22 D2 6.446 ambi=1 { ND2:110.594 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 945 80N-HD22 D2 6.446 ambi=1 { ND2:110.594 } ::sumAvg: 3.615 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } ::sumAvg: 4.52 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 3.915 atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } :: atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 3.98 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } :: atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } ::sumAvg: 3.98 atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } :: atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } atom: 914 78R-HG2 G 1.463 ambi=2 { CG:26.514 } :: atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } :: atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } atom: 915 78R-HG3 G 1.302 ambi=2 { CG:26.514 } ::sumAvg: 4.735 atom: 916 78R-HD2 D 3.139 ambi=2 { CD:43.151 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } :: atom: 917 78R-HD3 D 3.041 ambi=2 { CD:43.151 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.145 atom: 916 78R-HD2 D 3.139 ambi=2 { CD:43.151 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } :: atom: 917 78R-HD3 D 3.041 ambi=2 { CD:43.151 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 4.16 atom: 916 78R-HD2 D 3.139 ambi=2 { CD:43.151 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } :: atom: 917 78R-HD3 D 3.041 ambi=2 { CD:43.151 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.64 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 916 78R-HD2 D 3.139 ambi=2 { CD:43.151 } :: atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 917 78R-HD3 D 3.041 ambi=2 { CD:43.151 } ::sumAvg: 4.64 atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } ::sumAvg: 4.06 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } ::sumAvg: 4.955 atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } :: atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } atom: 918 78R-HE E 8.884 ambi=1 { NE:85.715 } ::sumAvg: 4.85 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 2.93 atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.555 atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } :: atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 3.825 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 3.105 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 4.68 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 926 79I-H N 9.609 ambi=1 { N:132.189 } ::sumAvg: 3.31 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } ::sumAvg: 3.025 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 3.805 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.43 atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 4.43 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 4.535 atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } :: atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } ::sumAvg: 4.535 atom: 927 79I-HA A 4.901 ambi=1 { CA:60.204 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 4.93 atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.26 atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.835 atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } ::sumAvg: 4.835 atom: 928 79I-HB B 1.953 ambi=1 { CB:38.506 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 3.145 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } ::sumAvg: 4.75 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.155 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.715 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } :: atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } ::sumAvg: 4.715 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 1187 103V-H N 9.295 ambi=1 { N:122.749 } ::sumAvg: 4.3 atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } :: atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 3.525 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 929 79I-HG12 G1 1.382 ambi=2 { CG1:27.056 } :: atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 930 79I-HG13 G1 0.344 ambi=2 { CG1:27.056 } ::sumAvg: 3.525 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 4.84 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.67 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } ::sumAvg: 4.67 atom: 931 79I-HG2 G2 0.626 ambi=1 { CG2:17.555 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.28 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 932 79I-HD1 D1 -0.109 ambi=1 { CD1:12.205 } ::sumAvg: 3.76 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 940 80N-H N 8.981 ambi=1 { N:123.729 } ::sumAvg: 4.995 atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } :: atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } ::sumAvg: 4.385 atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } ::sumAvg: 4.88 atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } ::sumAvg: 4.99 atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } :: atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } atom: 941 80N-HA A 5.971 ambi=1 { CA:51.715 } ::sumAvg: 4.99 atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } :: atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.445 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 4.445 atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } :: atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } ::sumAvg: 4.25 atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } :: atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } ::sumAvg: 3.92 atom: 942 80N-HB2 B 2.579 ambi=2 { CB:43.626 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } :: atom: 943 80N-HB3 B 2.442 ambi=2 { CB:43.626 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } ::sumAvg: 4.96 atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } ::sumAvg: 4.75 atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } atom: 944 80N-HD21 D2 6.82 ambi=1 { ND2:110.594 } :: atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } atom: 945 80N-HD22 D2 6.446 ambi=1 { ND2:110.594 } ::sumAvg: 4.075 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } ::sumAvg: 4.985 atom: 1146 99A-HA A 5.036 ambi=1 { CA:50.579 } atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } ::sumAvg: 4.69 atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } atom: 952 81A-H N 9.034 ambi=1 { N:123.195 } ::sumAvg: 4.04 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.44 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.44 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } ::sumAvg: 4.8 atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } ::sumAvg: 4.725 atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } atom: 953 81A-HA A 6.185 ambi=1 { CA:49.681 } ::sumAvg: 4.725 atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } atom: 1146 99A-HA A 5.036 ambi=1 { CA:50.579 } ::sumAvg: 4.99 atom: 1146 99A-HA A 5.036 ambi=1 { CA:50.579 } atom: 954 81A-HB B 1.237 ambi=1 { CB:22.689 } ::sumAvg: 4.99 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 3.81 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 4.875 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 959 82T-H N 9.642 ambi=1 { N:110.774 } ::sumAvg: 4.825 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.86 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } ::sumAvg: 4.51 atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.51 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 4.89 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.89 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } ::sumAvg: 4.815 atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.815 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.27 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } ::sumAvg: 4.27 atom: 960 82T-HA A 5.582 ambi=1 { CA:58.43 } atom: 1134 98V-H N 7.545 ambi=1 { N:116.287 } ::sumAvg: 4.94 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.45 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } ::sumAvg: 4.45 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } :: atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } ::sumAvg: 4.56 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } ::sumAvg: 4.5 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.345 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } ::sumAvg: 4.345 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } ::sumAvg: 4.325 atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } ::sumAvg: 4.325 atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } :: atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } ::sumAvg: 3.225 atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } :: atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } atom: 961 82T-HB B 4.447 ambi=1 { CB:72.061 } ::sumAvg: 3.225 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.96 atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} :: atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } atom: 962 82T-HG1 G1 6.63 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.89 atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.755 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } ::sumAvg: 4.755 atom: 963 82T-HG2 G2 1.266 ambi=1 { CG2:22.261 } atom: 1134 98V-H N 7.545 ambi=1 { N:116.287 } ::sumAvg: 4.985 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } ::sumAvg: 4.91 atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } ::sumAvg: 3.68 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 969 83V-H N 8.337 ambi=1 { N:117.465 } ::sumAvg: 2.75 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.35 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.71 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.71 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } ::sumAvg: 3.88 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } ::sumAvg: 4.985 atom: 992 85E-QG G 2.324 ambi=2 { CG:36.32 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.985 atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.99 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 970 83V-HA A 5.352 ambi=1 { CA:58.588 } ::sumAvg: 4.99 atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 3.99 atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } ::sumAvg: 4.57 atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } ::sumAvg: 4.57 atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.705 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 971 83V-HB B 1.819 ambi=1 { CB:35.069 } ::sumAvg: 4.705 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } ::sumAvg: 3.745 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } ::sumAvg: 4.615 atom: 972 83V-HG1 G1 0.885 ambi=2 { CG1:18.854 } atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } :: atom: 973 83V-HG2 G2 0.953 ambi=2 { CG2:23.582 } atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } ::sumAvg: 4.38 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 980 84D-H N 8.669 ambi=1 { N:124.583 } ::sumAvg: 2.27 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 2.585 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } ::sumAvg: 2.56 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 989 85E-HA A 4.098 ambi=1 { CA:60.547 } ::sumAvg: 4.66 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } ::sumAvg: 4.625 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } ::sumAvg: 3.36 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } ::sumAvg: 4.78 atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } :: atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } ::sumAvg: 4.78 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } ::sumAvg: 3.95 atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } :: atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } ::sumAvg: 3.95 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } ::sumAvg: 3.82 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 4.775 atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1034 89V-HG1 G1 0.847 ambi=2 { CG1:21.392 } :: atom: 981 84D-HA A 4.8 ambi=1 { CA:55.858 } atom: 1035 89V-HG2 G2 0.923 ambi=2 { CG2:20.542 } ::sumAvg: 4.995 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } ::sumAvg: 4.35 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } ::sumAvg: 4.87 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } ::sumAvg: 3.74 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } ::sumAvg: 3.695 atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 3.695 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 4.23 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } ::sumAvg: 4.595 atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.845 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 982 84D-HB2 B 2.975 ambi=2 { CB:40.684 } :: atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 983 84D-HB3 B 2.482 ambi=2 { CB:40.684 } ::sumAvg: 4.845 atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } :: atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } atom: 988 85E-H N 8.413 ambi=1 { N:123.135 } ::sumAvg: 4.08 atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } atom: 1000 86E-HA A 4.154 ambi=1 { CA:57.669 } :: atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } atom: 1000 86E-HA A 4.154 ambi=1 { CA:57.669 } ::sumAvg: 4.2 atom: 990 85E-HB2 B 2.129 ambi=2 { CB:30.229 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } :: atom: 991 85E-HB3 B 1.925 ambi=2 { CB:30.229 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } ::sumAvg: 4.865 atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } atom: 999 86E-H N 10.006 ambi=1 { N:116.39 } ::sumAvg: 4.3 atom: 1012 87N-HB2 B 3.332 ambi=2 { CB:36.025 } atom: 1000 86E-HA A 4.154 ambi=1 { CA:57.669 } :: atom: 1013 87N-HB3 B 2.366 ambi=2 { CB:36.025 } atom: 1000 86E-HA A 4.154 ambi=1 { CA:57.669 } ::sumAvg: 4.45 atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } atom: 1000 86E-HA A 4.154 ambi=1 { CA:57.669 } ::sumAvg: 4.375 atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } :: atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } ::sumAvg: 3.585 atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } :: atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 3.625 atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } :: atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } ::sumAvg: 4.76 atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } atom: 1001 86E-HB2 B 2.129 ambi=2 { CB:29.041 } :: atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } atom: 1002 86E-HB3 B 2.039 ambi=2 { CB:29.041 } ::sumAvg: 4.76 atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } :: atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } ::sumAvg: 3.795 atom: 1003 86E-HG2 G 2.355 ambi=2 { CG:37.207 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } :: atom: 1004 86E-HG3 G 2.34 ambi=2 { CG:37.207 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 4.165 atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } atom: 1010 87N-H N 8.188 ambi=1 { N:119.187 } ::sumAvg: 3.885 atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 1014 87N-HD21 D2 7.759 ambi=1 { ND2:112.56 } :: atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 1015 87N-HD22 D2 6.831 ambi=1 { ND2:112.56 } ::sumAvg: 3.14 atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } ::sumAvg: 4.585 atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } ::sumAvg: 4.585 atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } ::sumAvg: 4.34 atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } ::sumAvg: 4.34 atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 1034 89V-HG1 G1 0.847 ambi=2 { CG1:21.392 } :: atom: 1011 87N-HA A 5.036 ambi=1 { CA:52.648 } atom: 1035 89V-HG2 G2 0.923 ambi=2 { CG2:20.542 } ::sumAvg: 4.125 atom: 1012 87N-HB2 B 3.332 ambi=2 { CB:36.025 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } :: atom: 1013 87N-HB3 B 2.366 ambi=2 { CB:36.025 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 4.315 atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } atom: 1012 87N-HB2 B 3.332 ambi=2 { CB:36.025 } :: atom: 1023 88T-HA A 4.433 ambi=1 { CA:61.92 } atom: 1013 87N-HB3 B 2.366 ambi=2 { CB:36.025 } ::sumAvg: 4.87 atom: 1012 87N-HB2 B 3.332 ambi=2 { CB:36.025 } atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } :: atom: 1013 87N-HB3 B 2.366 ambi=2 { CB:36.025 } atom: 1025 88T-HG2 G2 1.103 ambi=1 { CG2:22.173 } ::sumAvg: 4.825 atom: 1012 87N-HB2 B 3.332 ambi=2 { CB:36.025 } atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } :: atom: 1013 87N-HB3 B 2.366 ambi=2 { CB:36.025 } atom: 1031 89V-H N 9.097 ambi=1 { N:125.014 } ::sumAvg: 4.92 atom: 1032 89V-HA A 4.378 ambi=1 { CA:61.284 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 4.965 atom: 1033 89V-HB B 2.191 ambi=1 { CB:33.365 } atom: 1022 88T-H N 10.569 ambi=1 { N:114.484 } ::sumAvg: 4.915 atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } atom: 1033 89V-HB B 2.191 ambi=1 { CB:33.365 } ::sumAvg: 4.56 atom: 1033 89V-HB B 2.191 ambi=1 { CB:33.365 } atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } ::sumAvg: 4.56 atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } atom: 1034 89V-HG1 G1 0.847 ambi=2 { CG1:21.392 } :: atom: 1024 88T-HB B 4.429 ambi=1 { CB:68.977 } atom: 1035 89V-HG2 G2 0.923 ambi=2 { CG2:20.542 } ::sumAvg: 4.81 atom: 1034 89V-HG1 G1 0.847 ambi=2 { CG1:21.392 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 1034 89V-HG1 G1 0.847 ambi=2 { CG1:21.392 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } :: atom: 1035 89V-HG2 G2 0.923 ambi=2 { CG2:20.542 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 1035 89V-HG2 G2 0.923 ambi=2 { CG2:20.542 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } ::sumAvg: 4.73 atom: 1034 89V-HG1 G1 0.847 ambi=2 { CG1:21.392 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } :: atom: 1035 89V-HG2 G2 0.923 ambi=2 { CG2:20.542 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } ::sumAvg: 4.67 atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } :: atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } atom: 1042 90V-H N 9.136 ambi=1 { N:134.703 } ::sumAvg: 4.995 atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } ::sumAvg: 4.405 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } ::sumAvg: 4.725 atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } :: atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } ::sumAvg: 4.12 atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } :: atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } atom: 1043 90V-HA A 4.048 ambi=1 { CA:64.097 } ::sumAvg: 4.12 atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } ::sumAvg: 4.285 atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } ::sumAvg: 4.975 atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } atom: 1044 90V-HB B 2.068 ambi=1 { CB:30.911 } ::sumAvg: 4.975 atom: 1091 94E-HB2 B 2.434 ambi=2 { CB:28.428 } atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } :: atom: 1092 94E-HB3 B 1.524 ambi=2 { CB:28.428 } atom: 1053 91E-H N 8.424 ambi=1 { N:125.202 } ::sumAvg: 4.98 atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } ::sumAvg: 4.375 atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } ::sumAvg: 4.375 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 1054 91E-HA A 5.031 ambi=1 { CA:53.975 } ::sumAvg: 4.02 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } ::sumAvg: 4.71 atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } ::sumAvg: 4.71 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } ::sumAvg: 4.175 atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } ::sumAvg: 4.175 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } ::sumAvg: 4.58 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } ::sumAvg: 4.58 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } ::sumAvg: 4.74 atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 1069 92L-QD D 0.9855 ambi=2 { QCD:24.498 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } ::sumAvg: 4.74 atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } ::sumAvg: 4.915 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } ::sumAvg: 3.995 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } :: atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } ::sumAvg: 3.995 atom: 1055 91E-HB2 B 2.421 ambi=2 { CB:37.145 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } :: atom: 1056 91E-HB3 B 1.678 ambi=2 { CB:37.145 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } ::sumAvg: 3.81 atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 1064 92L-H N 8.125 ambi=1 { N:116.288 } :: atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } atom: 1064 92L-H N 8.125 ambi=1 { N:116.288 } ::sumAvg: 4.435 atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } :: atom: 1057 91E-HG2 G 2.316 ambi=2 { CG:38.374 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } :: atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } atom: 1127 97N-HD21 D2 7.146 ambi=1 { ND2:121.957 } :: atom: 1058 91E-HG3 G 1.885 ambi=2 { CG:38.374 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } ::sumAvg: 3.135 atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } atom: 1064 92L-H N 8.125 ambi=1 { N:116.288 } :: atom: 1081 93N-HB3 B 2.526 ambi=2 { CB:39.58 } atom: 1064 92L-H N 8.125 ambi=1 { N:116.288 } ::sumAvg: 4.995 atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } ::sumAvg: 4.56 atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } atom: 1065 92L-HA A 3.955 ambi=1 { CA:56.511 } ::sumAvg: 4.56 atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } ::sumAvg: 4.215 atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } ::sumAvg: 4.215 atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } :: atom: 1066 92L-QB B 1.549 ambi=2 { CB:43.249 } atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } ::sumAvg: 4.135 atom: 1068 92L-HG G 1.573 ambi=1 { CG:26.818 } atom: 1078 93N-H N 6.284 ambi=1 { N:109.138 } ::sumAvg: 4.435 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1078 93N-H N 6.284 ambi=1 { N:109.138 } ::sumAvg: 4.7 atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } atom: 1091 94E-HB2 B 2.434 ambi=2 { CB:28.428 } :: atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } atom: 1092 94E-HB3 B 1.524 ambi=2 { CB:28.428 } ::sumAvg: 4.845 atom: 1091 94E-HB2 B 2.434 ambi=2 { CB:28.428 } atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } :: atom: 1092 94E-HB3 B 1.524 ambi=2 { CB:28.428 } atom: 1079 93N-HA A 4.912 ambi=1 { CA:51.727 } ::sumAvg: 4.845 atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } :: atom: 1081 93N-HB3 B 2.526 ambi=2 { CB:39.58 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } ::sumAvg: 4.94 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } :: atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1081 93N-HB3 B 2.526 ambi=2 { CB:39.58 } ::sumAvg: 4.94 atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } :: atom: 1081 93N-HB3 B 2.526 ambi=2 { CB:39.58 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 3.86 atom: 1080 93N-HB2 B 3.32 ambi=2 { CB:39.58 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } :: atom: 1081 93N-HB3 B 2.526 ambi=2 { CB:39.58 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } ::sumAvg: 3.665 atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } ::sumAvg: 4.86 atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 1082 93N-HD21 D2 7.604 ambi=1 { ND2:110.577 } :: atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 1083 93N-HD22 D2 7.105 ambi=1 { ND2:110.577 } ::sumAvg: 2.915 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1091 94E-HB2 B 2.434 ambi=2 { CB:28.428 } :: atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1092 94E-HB3 B 1.524 ambi=2 { CB:28.428 } ::sumAvg: 2.375 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1093 94E-HG2 G 2.474 ambi=2 { CG:33.523 } :: atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1094 94E-HG3 G 2.082 ambi=2 { CG:33.523 } ::sumAvg: 3.105 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 3.26 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } ::sumAvg: 3.685 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } ::sumAvg: 4.255 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.685 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } ::sumAvg: 4.685 atom: 1090 94E-HA A 4.848 ambi=1 { CA:55.393 } atom: 1128 97N-HD22 D2 9.365 ambi=1 { ND2:121.957 } ::sumAvg: 4.355 atom: 1091 94E-HB2 B 2.434 ambi=2 { CB:28.428 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } :: atom: 1092 94E-HB3 B 1.524 ambi=2 { CB:28.428 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 3.71 atom: 1091 94E-HB2 B 2.434 ambi=2 { CB:28.428 } atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } :: atom: 1092 94E-HB3 B 1.524 ambi=2 { CB:28.428 } atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } ::sumAvg: 4.59 atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } atom: 1091 94E-HB2 B 2.434 ambi=2 { CB:28.428 } :: atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } atom: 1092 94E-HB3 B 1.524 ambi=2 { CB:28.428 } ::sumAvg: 4.59 atom: 1093 94E-HG2 G 2.474 ambi=2 { CG:33.523 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } :: atom: 1094 94E-HG3 G 2.082 ambi=2 { CG:33.523 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 3.885 atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 4.855 atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } :: atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 1099 95N-H N 8.88 ambi=1 { N:117.76 } ::sumAvg: 4.305 atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } ::sumAvg: 3.78 atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } atom: 1134 98V-H N 7.545 ambi=1 { N:116.287 } ::sumAvg: 4.725 atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } :: atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } atom: 1100 95N-HA A 5.097 ambi=1 { CA:53.798 } ::sumAvg: 4.565 atom: 1101 95N-HB2 B 3.109 ambi=2 { CB:39.529 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } :: atom: 1102 95N-HB3 B 2.894 ambi=2 { CB:39.529 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } ::sumAvg: 4.485 atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 1101 95N-HB2 B 3.109 ambi=2 { CB:39.529 } :: atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 1102 95N-HB3 B 2.894 ambi=2 { CB:39.529 } ::sumAvg: 4.485 atom: 1101 95N-HB2 B 3.109 ambi=2 { CB:39.529 } atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } :: atom: 1102 95N-HB3 B 2.894 ambi=2 { CB:39.529 } atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } ::sumAvg: 4.945 atom: 1114 96N-HB3 B 2.654 ambi=2 { CB:36.973 } atom: 1101 95N-HB2 B 3.109 ambi=2 { CB:39.529 } :: atom: 1113 96N-HB2 B 3.325 ambi=2 { CB:36.973 } atom: 1102 95N-HB3 B 2.894 ambi=2 { CB:39.529 } ::sumAvg: 4.945 atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } ::sumAvg: 4.775 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 1111 96N-H N 7.678 ambi=1 { N:119.2 } ::sumAvg: 4.56 atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } ::sumAvg: 4.755 atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } atom: 1112 96N-HA A 5.327 ambi=1 { CA:51.506 } ::sumAvg: 4.755 atom: 1136 98V-HB B 1.953 ambi=1 { CB:35.396 } atom: 1123 97N-H N 8.423 ambi=1 { N:119.174 } ::sumAvg: 4.89 atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } ::sumAvg: 4.51 atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } ::sumAvg: 4.51 atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } :: atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } atom: 1124 97N-HA A 4.5 ambi=1 { CA:54.174 } ::sumAvg: 4.4 atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } :: atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } ::sumAvg: 4.635 atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } atom: 1125 97N-HB2 B 3.688 ambi=2 { CB:37.381 } :: atom: 1135 98V-HA A 5.149 ambi=1 { CA:60.472 } atom: 1126 97N-HB3 B 2.891 ambi=2 { CB:37.381 } ::sumAvg: 4.635 atom: 1136 98V-HB B 1.953 ambi=1 { CB:35.396 } atom: 1146 99A-HA A 5.036 ambi=1 { CA:50.579 } ::sumAvg: 4.68 atom: 1146 99A-HA A 5.036 ambi=1 { CA:50.579 } atom: 1136 98V-HB B 1.953 ambi=1 { CB:35.396 } ::sumAvg: 4.68 atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } :: atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } ::sumAvg: 3.975 atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } :: atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } ::sumAvg: 4.195 atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } :: atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } ::sumAvg: 4.38 atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } atom: 1137 98V-HG1 G1 0.862 ambi=2 { CG1:20.555 } :: atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } atom: 1138 98V-HG2 G2 0.9 ambi=2 { CG2:21.028 } ::sumAvg: 4.91 atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } atom: 1145 99A-H N 9.309 ambi=1 { N:129.392 } ::sumAvg: 4.915 atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 1147 99A-HB B 1.506 ambi=1 { CB:22.839 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } ::sumAvg: 4.625 atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } :: atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } atom: 1152 100T-H N 8.809 ambi=1 { N:116.886 } ::sumAvg: 4.96 atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } ::sumAvg: 4.435 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 1153 100T-HA A 5.112 ambi=1 { CA:61.74 } ::sumAvg: 4.435 atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } ::sumAvg: 4.715 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 1154 100T-HB B 3.872 ambi=1 { CB:71.459 } ::sumAvg: 4.715 atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } ::sumAvg: 3.295 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } ::sumAvg: 3.295 atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } :: atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } ::sumAvg: 4.77 atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } ::sumAvg: 3.91 atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.42 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } ::sumAvg: 4.42 atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } :: atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } atom: 1155 100T-HG2 G2 1.087 ambi=1 { CG2:21.455 } ::sumAvg: 4.385 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 1161 101F-H N 9.431 ambi=1 { N:129.977 } ::sumAvg: 4.675 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } ::sumAvg: 4.595 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.4 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } ::sumAvg: 4.4 atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } :: atom: 1162 101F-HA A 4.662 ambi=1 { CA:58.104 } atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } ::sumAvg: 4.68 atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } :: atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } ::sumAvg: 4.125 atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } :: atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.905 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 1163 101F-HB2 B 3.007 ambi=2 { CB:44.323 } :: atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 1164 101F-HB3 B 2.721 ambi=2 { CB:44.323 } ::sumAvg: 4.905 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.405 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.575 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 1165 101F-QD D 7.076 ambi=3 { CD1:131.373 } ::sumAvg: 4.83 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1167 101F-QE E 7.444 ambi=3 { CE1:131.373 } ::sumAvg: 3.785 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 1179 102D-H N 8.054 ambi=1 { N:129.424 } ::sumAvg: 4.335 atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } ::sumAvg: 4.43 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.43 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 1180 102D-HA A 5.585 ambi=1 { CA:54.411 } ::sumAvg: 4.63 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1181 102D-HB2 B 2.484 ambi=2 { CB:42.405 } :: atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1182 102D-HB3 B 2.365 ambi=2 { CB:42.405 } ::sumAvg: 4.71 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } ::sumAvg: 4.435 atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } ::sumAvg: 4.435 atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } :: atom: 1188 103V-HA A 4.606 ambi=1 { CA:60.898 } atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } ::sumAvg: 4.53 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 1198 104S-H N 8.488 ambi=1 { N:122.474 } ::sumAvg: 4.05 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } ::sumAvg: 4.81 atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 4.81 atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } :: atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } ::sumAvg: 3.885 atom: 1209 105V-HG1 G1 0.627 ambi=2 { CG1:21.543 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } :: atom: 1210 105V-HG2 G2 0.82 ambi=2 { CG2:22.798 } atom: 1189 103V-HB B 2.135 ambi=1 { CB:36.279 } ::sumAvg: 3.885 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 1199 104S-HA A 5.198 ambi=1 { CA:57.073 } ::sumAvg: 3.725 atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } :: atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } ::sumAvg: 4.95 atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 1190 103V-HG1 G1 1.128 ambi=2 { CG1:21.662 } :: atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 1191 103V-HG2 G2 1.2 ambi=2 { CG2:21.966 } ::sumAvg: 4.95 atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } :: atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } ::sumAvg: 4.94 atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } atom: 1200 104S-HB2 B 3.919 ambi=2 { CB:64.532 } :: atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } atom: 1201 104S-HB3 B 3.868 ambi=2 { CB:64.532 } ::sumAvg: 4.94 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 1207 105V-HA A 5.469 ambi=1 { CA:60.647 } ::sumAvg: 4.435 atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 1217 106V-H N 8.563 ambi=1 { N:121.562 } ::sumAvg: 4.15 atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } ::sumAvg: 4.79 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 1208 105V-HB B 2.53 ambi=1 { CB:31.601 } ::sumAvg: 4.79 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 1229 107L-HA A 4.265 ambi=1 { CA:55.847 } ::sumAvg: 4.36 atom: 1229 107L-HA A 4.265 ambi=1 { CA:55.847 } atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } ::sumAvg: 4.36 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 1232 107L-HG G 1.483 ambi=1 { CG:27.172 } ::sumAvg: 3.915 atom: 1218 106V-HA A 4.896 ambi=1 { CA:58.81 } atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } ::sumAvg: 4.195 atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } atom: 1229 107L-HA A 4.265 ambi=1 { CA:55.847 } ::sumAvg: 4.715 atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } atom: 1230 107L-QB B 1.544 ambi=2 { CB:42.387 } ::sumAvg: 4.34 atom: 1219 106V-HB B 2.182 ambi=1 { CB:35.409 } atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } ::sumAvg: 2.775 atom: 1246 108E-HG2 G 2.177 ambi=2 { CG:36.495 } atom: 1228 107L-H N 8.578 ambi=1 { N:123.215 } :: atom: 1247 108E-HG3 G 2.037 ambi=2 { CG:36.495 } atom: 1228 107L-H N 8.578 ambi=1 { N:123.215 } ::sumAvg: 4.315 atom: 1232 107L-HG G 1.483 ambi=1 { CG:27.172 } atom: 1242 108E-H N 8.33 ambi=1 { N:121.238 } ::sumAvg: 4.755