# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 24 4K-H N 8.47 ambi=1 { N:121.873 } atom: 13 3P-HB2 B 2.302 ambi=2 { CB:32.145 } :: atom: 24 4K-H N 8.47 ambi=1 { N:121.873 } atom: 14 3P-HB3 B 1.913 ambi=2 { CB:32.145 } ::sumAvg: 3.29 atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } atom: 13 3P-HB2 B 2.302 ambi=2 { CB:32.145 } :: atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } atom: 14 3P-HB3 B 1.913 ambi=2 { CB:32.145 } ::sumAvg: 4.315 atom: 24 4K-H N 8.47 ambi=1 { N:121.873 } atom: 15 3P-QG G 2.018 ambi=2 { CG:27.402 } ::sumAvg: 4.28 atom: 60 7Q-H N 8.467 ambi=1 { N:121.1 } atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } ::sumAvg: 4.86 atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } atom: 28 4K-HG2 G 1.479 ambi=2 { CG:24.759 } :: atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } atom: 29 4K-HG3 G 1.436 ambi=2 { CG:24.759 } ::sumAvg: 4.065 atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } atom: 30 4K-QD D 1.696 ambi=2 { CD:29.099 } ::sumAvg: 4.665 atom: 66 7Q-HE21 E2 7.628 ambi=1 { NE2:113.215 } atom: 62 7Q-HB2 B 1.968 ambi=2 { CB:29.809 } :: atom: 67 7Q-HE22 E2 6.923 ambi=1 { NE2:113.215 } atom: 62 7Q-HB2 B 1.968 ambi=2 { CB:29.809 } :: atom: 66 7Q-HE21 E2 7.628 ambi=1 { NE2:113.215 } atom: 63 7Q-HB3 B 2.071 ambi=2 { CB:29.809 } :: atom: 67 7Q-HE22 E2 6.923 ambi=1 { NE2:113.215 } atom: 63 7Q-HB3 B 2.071 ambi=2 { CB:29.809 } ::sumAvg: 3.735 atom: 75 8K-H N 8.449 ambi=1 { N:124.303 } atom: 49 6P-HA A 4.441 ambi=1 { CA:63.16 } ::sumAvg: 4.94 atom: 75 8K-H N 8.449 ambi=1 { N:124.303 } atom: 50 6P-HB2 B 2.302 ambi=2 { CB:32.145 } :: atom: 75 8K-H N 8.449 ambi=1 { N:124.303 } atom: 51 6P-HB3 B 1.913 ambi=2 { CB:32.145 } ::sumAvg: 4.965 atom: 66 7Q-HE21 E2 7.628 ambi=1 { NE2:113.215 } atom: 61 7Q-HA A 4.321 ambi=1 { CA:55.896 } ::sumAvg: 4.725 atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } atom: 92 9P-HA A 4.613 ambi=1 { CA:62.863 } ::sumAvg: 4.845 atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } :: atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } ::sumAvg: 4.875 atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.93 atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 3.94 atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } ::sumAvg: 4.25 atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } :: atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } ::sumAvg: 4.24 atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.945 atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.82 atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } :: atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } ::sumAvg: 4.145 atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } ::sumAvg: 4.735 atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.35 atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 4.755 atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 4.95 atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.615 atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 277 23V-HA A 5.023 ambi=1 { CA:57.386 } ::sumAvg: 4.825 atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 3.17 atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } atom: 136 12R-HE E 7.317 ambi=1 { NE:84.045 } ::sumAvg: 4.54 atom: 136 12R-HE E 7.317 ambi=1 { NE:84.045 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.54 atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } :: atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } ::sumAvg: 4.09 atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.955 atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } ::sumAvg: 4.355 atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } ::sumAvg: 3.375 atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 3.25 atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } atom: 886 76L-H N 8.993 ambi=1 { N:123.399 } ::sumAvg: 4.65 atom: 886 76L-H N 8.993 ambi=1 { N:123.399 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } ::sumAvg: 4.65 atom: 155 14F-H N 9.131 ambi=1 { N:127.959 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.61 atom: 155 14F-H N 9.131 ambi=1 { N:127.959 } atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } ::sumAvg: 4.92 atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.955 atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 4.285 atom: 886 76L-H N 8.993 ambi=1 { N:123.399 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 3.59 atom: 886 76L-H N 8.993 ambi=1 { N:123.399 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.43 atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } ::sumAvg: 4.855 atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } :: atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } ::sumAvg: 4.835 atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.02 atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.895 atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.67 atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 4.395 atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 4.96 atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 3.715 atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } ::sumAvg: 4.255 atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } ::sumAvg: 3.56 atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.085 atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.865 atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } atom: 197 17N-H N 8.845 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.345 atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } :: atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } ::sumAvg: 4.21 atom: 201 17N-HD21 D2 7.624 ambi=1 { ND2:112.386 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 201 17N-HD21 D2 7.624 ambi=1 { ND2:112.386 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 4.06 atom: 208 18K-H N 8.721 ambi=1 { N:111.363 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 208 18K-H N 8.721 ambi=1 { N:111.363 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 4.445 atom: 208 18K-H N 8.721 ambi=1 { N:111.363 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } ::sumAvg: 4.8 atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } atom: 208 18K-H N 8.721 ambi=1 { N:111.363 } ::sumAvg: 4.8 atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } :: atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } :: atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } :: atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } ::sumAvg: 3.32 atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } atom: 212 18K-QG G 1.432 ambi=2 { CG:25.587 } ::sumAvg: 4.935 atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } ::sumAvg: 3.795 atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } ::sumAvg: 4.565 atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } :: atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } :: atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } :: atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } ::sumAvg: 4.34 atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } :: atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } ::sumAvg: 4.005 atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 3.65 atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } atom: 258 21T-HB B 3.98 ambi=1 { CB:69.789 } ::sumAvg: 4.775 atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } :: atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } ::sumAvg: 4.615 atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } :: atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } ::sumAvg: 3.45 atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 4.38 atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.735 atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.315 atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } :: atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } atom: 289 24P-HB3 B 1.81 ambi=2 { CB:32.365 } ::sumAvg: 3.415 atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } :: atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } ::sumAvg: 4.32 atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } ::sumAvg: 4.545 atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } ::sumAvg: 4.585 atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 3.985 atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.41 atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } ::sumAvg: 4.99 atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } ::sumAvg: 4.63 atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 4.63 atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.23 atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 4.23 atom: 322 27C-H N 8.394 ambi=1 { N:121.473 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } ::sumAvg: 4.515 atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } atom: 322 27C-H N 8.394 ambi=1 { N:121.473 } ::sumAvg: 4.515 atom: 322 27C-H N 8.394 ambi=1 { N:121.473 } atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } :: atom: 322 27C-H N 8.394 ambi=1 { N:121.473 } atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } ::sumAvg: 4.48 atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } ::sumAvg: 4.885 atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.145 atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.48 atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } ::sumAvg: 4.48 atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.46 atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } ::sumAvg: 4.46 atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } ::sumAvg: 4.23 atom: 347 30T-H N 8.853 ambi=1 { N:116.161 } atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } ::sumAvg: 4.51 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.62 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } ::sumAvg: 3.49 atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } ::sumAvg: 4.99 atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } ::sumAvg: 4.51 atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } ::sumAvg: 4.395 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 4.865 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.435 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } ::sumAvg: 4.87 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } ::sumAvg: 4.06 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 4.455 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } ::sumAvg: 4.915 atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.915 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } ::sumAvg: 4.275 atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } ::sumAvg: 3.775 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.64 atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.915 atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } ::sumAvg: 4.955 atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 4.955 atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.74 atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 4.74 atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 4.64 atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.76 atom: 391 34S-H N 8.559 ambi=1 { N:116.587 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.54 atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 3.695 atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 4.465 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } ::sumAvg: 4.275 atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.645 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } ::sumAvg: 4.645 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } ::sumAvg: 4.845 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.775 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } ::sumAvg: 4.76 atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } ::sumAvg: 4.99 atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } atom: 391 34S-H N 8.559 ambi=1 { N:116.587 } ::sumAvg: 3.95 atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } ::sumAvg: 4.78 atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.78 atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 4.965 atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 3.895 atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } ::sumAvg: 4.795 atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.18 atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.18 atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.905 atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } ::sumAvg: 4.505 atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } ::sumAvg: 4.36 atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } atom: 421 36K-QE E 2.971 ambi=2 { CE:42.115 } ::sumAvg: 4.755 atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } ::sumAvg: 4.175 atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } ::sumAvg: 4.74 atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } ::sumAvg: 4.58 atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 4.615 atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 4.43 atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.965 atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } ::sumAvg: 4.965 atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 4.6 atom: 506 43G-H N 7.891 ambi=1 { N:108.207 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 4.685 atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } ::sumAvg: 4.47 atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.575 atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.845 atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.99 atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.745 atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.04 atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } atom: 506 43G-H N 7.891 ambi=1 { N:108.207 } ::sumAvg: 4.91 atom: 506 43G-H N 7.891 ambi=1 { N:108.207 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 4.91 atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } ::sumAvg: 4.785 atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 4.785 atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } ::sumAvg: 4.02 atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 4.04 atom: 506 43G-H N 7.891 ambi=1 { N:108.207 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 4.5 atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } ::sumAvg: 4.795 atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } ::sumAvg: 3.83 atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } ::sumAvg: 4.755 atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } :: atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } ::sumAvg: 3.405 atom: 506 43G-H N 7.891 ambi=1 { N:108.207 } atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } ::sumAvg: 4.2 atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } ::sumAvg: 4.71 atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.76 atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } ::sumAvg: 4.785 atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } ::sumAvg: 4.23 atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } ::sumAvg: 3.165 atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.955 atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } ::sumAvg: 4.585 atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.905 atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 3.675 atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 3.42 atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 3.78 atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 4.88 atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.975 atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 4.075 atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.8 atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.66 atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.905 atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.86 atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.405 atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.26 atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 4.26 atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } :: atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } ::sumAvg: 4.22 atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } ::sumAvg: 4.935 atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 4.935 atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 4.725 atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.955 atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.895 atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 4.6 atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } ::sumAvg: 4.945 atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 3.81 atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.58 atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.935 atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 4.63 atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } ::sumAvg: 4.56 atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } ::sumAvg: 4.72 atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } :: atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } ::sumAvg: 4.315 atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } ::sumAvg: 4.72 atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.16 atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 4.795 atom: 628 54I-H N 9.338 ambi=1 { N:123.486 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.23 atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.52 atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.275 atom: 628 54I-H N 9.338 ambi=1 { N:123.486 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.86 atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.19 atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.775 atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } ::sumAvg: 4.715 atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } ::sumAvg: 4.67 atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } :: atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } ::sumAvg: 4.355 atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } atom: 616 53R-HG2 G 1.679 ambi=2 { CG:26.762 } :: atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } atom: 617 53R-HG3 G 1.518 ambi=2 { CG:26.762 } ::sumAvg: 4.28 atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 4.6 atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } ::sumAvg: 4.77 atom: 628 54I-H N 9.338 ambi=1 { N:123.486 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 4.785 atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.97 atom: 682 59K-H N 8.585 ambi=1 { N:123.389 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.66 atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } atom: 630 54I-HB B 1.733 ambi=1 { CB:37.715 } ::sumAvg: 4.355 atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } ::sumAvg: 4 atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } ::sumAvg: 4.735 atom: 648 55Q-HE21 E2 7.657 ambi=1 { NE2:112.459 } atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } ::sumAvg: 4.515 atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } ::sumAvg: 4.385 atom: 648 55Q-HE21 E2 7.657 ambi=1 { NE2:112.459 } atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } :: atom: 649 55Q-HE22 E2 6.875 ambi=1 { NE2:112.459 } atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } :: atom: 648 55Q-HE21 E2 7.657 ambi=1 { NE2:112.459 } atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } :: atom: 649 55Q-HE22 E2 6.875 ambi=1 { NE2:112.459 } atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } ::sumAvg: 3.925 atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } :: atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } ::sumAvg: 4.38 atom: 648 55Q-HE21 E2 7.657 ambi=1 { NE2:112.459 } atom: 657 56D-H N 9.634 ambi=1 { N:128.757 } ::sumAvg: 4.455 atom: 657 56D-H N 9.634 ambi=1 { N:128.757 } atom: 648 55Q-HE21 E2 7.657 ambi=1 { NE2:112.459 } ::sumAvg: 4.455 atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } :: atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } ::sumAvg: 4.985 atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } :: atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 4.93 atom: 742 63G-H N 8.536 ambi=1 { N:111.926 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } ::sumAvg: 4.49 atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } atom: 742 63G-H N 8.536 ambi=1 { N:111.926 } ::sumAvg: 4.49 atom: 742 63G-H N 8.536 ambi=1 { N:111.926 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } ::sumAvg: 3.825 atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } :: atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 3.495 atom: 748 64W-H N 8.971 ambi=1 { N:125.24 } atom: 770 65D-HB2 B 2.926 ambi=2 { CB:40.309 } :: atom: 748 64W-H N 8.971 ambi=1 { N:125.24 } atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } ::sumAvg: 4.955 atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 4.67 atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.555 atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } ::sumAvg: 4.555 atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.9 atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } ::sumAvg: 4.9 atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 4.33 atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } ::sumAvg: 4.71 atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.255 atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.255 atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 4.845 atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } ::sumAvg: 4.455 atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.12 atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.12 atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } atom: 820 70W-HE1 E1 10.174 ambi=1 { NE1:128.448 } ::sumAvg: 4.77 atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } :: atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } ::sumAvg: 4.645 atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.225 atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } ::sumAvg: 4.64 atom: 820 70W-HE1 E1 10.174 ambi=1 { NE1:128.448 } atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } ::sumAvg: 4.985 atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } ::sumAvg: 4.345 atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } ::sumAvg: 4.56 atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 4.56 atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } ::sumAvg: 4.465 atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } ::sumAvg: 4.935 atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } ::sumAvg: 4.345 atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.27 atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } :: atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } ::sumAvg: 3.365 atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.975 atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.5 atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.175 atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } ::sumAvg: 4.715 atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } atom: 960 82E-HA A 4.355 ambi=1 { CA:56.107 } ::sumAvg: 4.725 atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } ::sumAvg: 4.18 atom: 970 83N-H N 8.496 ambi=1 { N:119.027 } atom: 974 83N-HD21 D2 7.625 ambi=1 { ND2:113.094 } ::sumAvg: 4.235 atom: 974 83N-HD21 D2 7.625 ambi=1 { ND2:113.094 } atom: 970 83N-H N 8.496 ambi=1 { N:119.027 } ::sumAvg: 4.235 atom: 974 83N-HD21 D2 7.625 ambi=1 { ND2:113.094 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } :: atom: 975 83N-HD22 D2 6.915 ambi=1 { ND2:113.094 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } ::sumAvg: 4.32 atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } atom: 998 85P-HD2 D 3.86 ambi=2 { CD:51.031 } :: atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } atom: 999 85P-HD3 D 3.694 ambi=2 { CD:51.031 } ::sumAvg: 3.815 # Missing interactons for c_aro.peaks atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } :: atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } ::sumAvg: 4.995 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } :: atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } ::sumAvg: 4.09 atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } :: atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } ::sumAvg: 4.935 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } ::sumAvg: 4.605 atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } ::sumAvg: 4.785 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } :: atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } ::sumAvg: 4.68 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 155 14F-H N 9.131 ambi=1 { N:127.959 } ::sumAvg: 4.61 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } ::sumAvg: 4.59 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.38 atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.115 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.995 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } :: atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } ::sumAvg: 2.88 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } :: atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } ::sumAvg: 3.565 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.66 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 886 76L-H N 8.993 ambi=1 { N:123.399 } ::sumAvg: 3.59 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } ::sumAvg: 4.815 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } ::sumAvg: 3.63 atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } ::sumAvg: 3.655 atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 3.655 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } :: atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } ::sumAvg: 3.865 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } :: atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } ::sumAvg: 4.385 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } :: atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } ::sumAvg: 2.735 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.34 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 886 76L-H N 8.993 ambi=1 { N:123.399 } ::sumAvg: 4.43 atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } ::sumAvg: 4.105 atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.105 atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } :: atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } ::sumAvg: 4.08 atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } :: atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } ::sumAvg: 4.6 atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 879 75E-HG2 G 2.41 ambi=2 { CG:36.885 } :: atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } atom: 880 75E-HG3 G 2.094 ambi=2 { CG:36.885 } ::sumAvg: 4.64 atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 4.17 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.97 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.94 atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } ::sumAvg: 4.25 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 4.805 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 4.94 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } ::sumAvg: 3.34 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } ::sumAvg: 4.37 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.965 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.215 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } ::sumAvg: 4.02 atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } ::sumAvg: 3.905 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } ::sumAvg: 3.97 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } ::sumAvg: 4.2 atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } ::sumAvg: 3.8 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.385 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 3.14 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } ::sumAvg: 4.83 atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } :: atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } ::sumAvg: 4.635 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } :: atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } ::sumAvg: 3.925 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } :: atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } ::sumAvg: 4.29 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } ::sumAvg: 4.935 atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.33 atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 3.62 atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 4.47 atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 3.785 atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } ::sumAvg: 4.825 atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } ::sumAvg: 4.895 atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } ::sumAvg: 4.6 atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.655 atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.65 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 3.715 atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 2.81 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 3.405 atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.04 atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } ::sumAvg: 4.52 atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } ::sumAvg: 4.315 atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } ::sumAvg: 4.275 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } ::sumAvg: 4.87 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 628 54I-H N 9.338 ambi=1 { N:123.486 } ::sumAvg: 4.86 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.79 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 630 54I-HB B 1.733 ambi=1 { CB:37.715 } ::sumAvg: 4.855 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 4.25 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 3.625 atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 3.625 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } ::sumAvg: 4.52 atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } ::sumAvg: 4.835 atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.815 atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } ::sumAvg: 4.92 atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } :: atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 4.48 atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 4.215 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 4.835 atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.975 atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 4.295 atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 4.295 atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 4.26 atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 4.26 atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } ::sumAvg: 4.47 atom: 823 70W-HZ3 Z3 7.2 ambi=1 { CZ3:121.377 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } ::sumAvg: 4.135 atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 4.625 atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.31 atom: 822 70W-HZ2 Z2 7.539 ambi=1 { CZ2:114.902 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 822 70W-HZ2 Z2 7.539 ambi=1 { CZ2:114.902 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.08 atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.96 atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.455 atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } ::sumAvg: 4.775 atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } :: atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } ::sumAvg: 4.07 atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.64 atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } atom: 820 70W-HE1 E1 10.174 ambi=1 { NE1:128.448 } ::sumAvg: 4.985 atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } :: atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } ::sumAvg: 4.7 atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } ::sumAvg: 4.255 atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } ::sumAvg: 4.255 atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } ::sumAvg: 4.97 atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } :: atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } ::sumAvg: 4.74 atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } ::sumAvg: 4.24 atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 4.24 # Missing interactons for c_ali.peaks atom: 13 3P-HB2 B 2.302 ambi=2 { CB:32.145 } atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } :: atom: 14 3P-HB3 B 1.913 ambi=2 { CB:32.145 } atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } ::sumAvg: 4.73 atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } atom: 13 3P-HB2 B 2.302 ambi=2 { CB:32.145 } :: atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } atom: 14 3P-HB3 B 1.913 ambi=2 { CB:32.145 } ::sumAvg: 4.73 atom: 13 3P-HB2 B 2.302 ambi=2 { CB:32.145 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } :: atom: 14 3P-HB3 B 1.913 ambi=2 { CB:32.145 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } ::sumAvg: 4.315 atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 1 2M-H N 8.491 ambi=1 { N:123.602 } ::sumAvg: 2.61 atom: 17 3P-HD2 D 3.817 ambi=2 { CD:50.779 } atom: 1 2M-H N 8.491 ambi=1 { N:123.602 } :: atom: 18 3P-HD3 D 3.687 ambi=2 { CD:50.779 } atom: 1 2M-H N 8.491 ambi=1 { N:123.602 } ::sumAvg: 3.9 atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 3 2M-HB2 B 2.051 ambi=2 { CB:32.186 } :: atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 4 2M-HB3 B 1.935 ambi=2 { CB:32.186 } ::sumAvg: 2.45 atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 5 2M-HG2 G 2.629 ambi=2 { CG:32.054 } :: atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 6 2M-HG3 G 2.545 ambi=2 { CG:32.054 } ::sumAvg: 2.8 atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 15 3P-QG G 2.018 ambi=2 { CG:27.402 } ::sumAvg: 3.96 atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 17 3P-HD2 D 3.817 ambi=2 { CD:50.779 } :: atom: 2 2M-HA A 4.786 ambi=1 { CA:53.578 } atom: 18 3P-HD3 D 3.687 ambi=2 { CD:50.779 } ::sumAvg: 2.15 atom: 5 2M-HG2 G 2.629 ambi=2 { CG:32.054 } atom: 17 3P-HD2 D 3.817 ambi=2 { CD:50.779 } :: atom: 5 2M-HG2 G 2.629 ambi=2 { CG:32.054 } atom: 18 3P-HD3 D 3.687 ambi=2 { CD:50.779 } :: atom: 6 2M-HG3 G 2.545 ambi=2 { CG:32.054 } atom: 17 3P-HD2 D 3.817 ambi=2 { CD:50.779 } :: atom: 6 2M-HG3 G 2.545 ambi=2 { CG:32.054 } atom: 18 3P-HD3 D 3.687 ambi=2 { CD:50.779 } ::sumAvg: 3.645 atom: 17 3P-HD2 D 3.817 ambi=2 { CD:50.779 } atom: 5 2M-HG2 G 2.629 ambi=2 { CG:32.054 } :: atom: 18 3P-HD3 D 3.687 ambi=2 { CD:50.779 } atom: 5 2M-HG2 G 2.629 ambi=2 { CG:32.054 } :: atom: 17 3P-HD2 D 3.817 ambi=2 { CD:50.779 } atom: 6 2M-HG3 G 2.545 ambi=2 { CG:32.054 } :: atom: 18 3P-HD3 D 3.687 ambi=2 { CD:50.779 } atom: 6 2M-HG3 G 2.545 ambi=2 { CG:32.054 } ::sumAvg: 3.645 atom: 12 3P-HA A 4.441 ambi=1 { CA:63.16 } atom: 26 4K-HB2 B 1.827 ambi=2 { CB:33.093 } :: atom: 12 3P-HA A 4.441 ambi=1 { CA:63.16 } atom: 27 4K-HB3 B 1.762 ambi=2 { CB:33.093 } ::sumAvg: 4.81 atom: 26 4K-HB2 B 1.827 ambi=2 { CB:33.093 } atom: 12 3P-HA A 4.441 ambi=1 { CA:63.16 } :: atom: 27 4K-HB3 B 1.762 ambi=2 { CB:33.093 } atom: 12 3P-HA A 4.441 ambi=1 { CA:63.16 } ::sumAvg: 4.81 atom: 26 4K-HB2 B 1.827 ambi=2 { CB:33.093 } atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } :: atom: 27 4K-HB3 B 1.762 ambi=2 { CB:33.093 } atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } ::sumAvg: 4.965 atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 26 4K-HB2 B 1.827 ambi=2 { CB:33.093 } :: atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 27 4K-HB3 B 1.762 ambi=2 { CB:33.093 } ::sumAvg: 4.965 atom: 43 5S-HB2 B 3.873 ambi=2 { CB:63.368 } atom: 26 4K-HB2 B 1.827 ambi=2 { CB:33.093 } :: atom: 44 5S-HB3 B 3.82 ambi=2 { CB:63.368 } atom: 26 4K-HB2 B 1.827 ambi=2 { CB:33.093 } :: atom: 43 5S-HB2 B 3.873 ambi=2 { CB:63.368 } atom: 27 4K-HB3 B 1.762 ambi=2 { CB:33.093 } :: atom: 44 5S-HB3 B 3.82 ambi=2 { CB:63.368 } atom: 27 4K-HB3 B 1.762 ambi=2 { CB:33.093 } ::sumAvg: 4.985 atom: 26 4K-HB2 B 1.827 ambi=2 { CB:33.093 } atom: 32 4K-QE E 3.005 ambi=2 { CE:42.181 } :: atom: 27 4K-HB3 B 1.762 ambi=2 { CB:33.093 } atom: 32 4K-QE E 3.005 ambi=2 { CE:42.181 } ::sumAvg: 3.92 atom: 30 4K-QD D 1.696 ambi=2 { CD:29.099 } atom: 24 4K-H N 8.47 ambi=1 { N:121.873 } ::sumAvg: 4.105 atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } ::sumAvg: 4.835 atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } ::sumAvg: 4.835 atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } atom: 43 5S-HB2 B 3.873 ambi=2 { CB:63.368 } :: atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } atom: 44 5S-HB3 B 3.82 ambi=2 { CB:63.368 } ::sumAvg: 4.895 atom: 43 5S-HB2 B 3.873 ambi=2 { CB:63.368 } atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } :: atom: 44 5S-HB3 B 3.82 ambi=2 { CB:63.368 } atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } ::sumAvg: 4.895 atom: 30 4K-QD D 1.696 ambi=2 { CD:29.099 } atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } ::sumAvg: 3.055 atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } atom: 32 4K-QE E 3.005 ambi=2 { CE:42.181 } ::sumAvg: 4.395 atom: 32 4K-QE E 3.005 ambi=2 { CE:42.181 } atom: 25 4K-HA A 4.291 ambi=1 { CA:56.349 } ::sumAvg: 4.395 atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 43 5S-HB2 B 3.873 ambi=2 { CB:63.368 } :: atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 44 5S-HB3 B 3.82 ambi=2 { CB:63.368 } ::sumAvg: 2.43 atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 52 6P-QG G 2.018 ambi=2 { CG:27.402 } ::sumAvg: 3.97 atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 54 6P-HD2 D 3.829 ambi=2 { CD:50.764 } :: atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 55 6P-HD3 D 3.724 ambi=2 { CD:50.764 } ::sumAvg: 2.135 atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 60 7Q-H N 8.467 ambi=1 { N:121.1 } ::sumAvg: 4.86 atom: 43 5S-HB2 B 3.873 ambi=2 { CB:63.368 } atom: 52 6P-QG G 2.018 ambi=2 { CG:27.402 } :: atom: 44 5S-HB3 B 3.82 ambi=2 { CB:63.368 } atom: 52 6P-QG G 2.018 ambi=2 { CG:27.402 } ::sumAvg: 4.93 atom: 28 4K-HG2 G 1.479 ambi=2 { CG:24.759 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } :: atom: 29 4K-HG3 G 1.436 ambi=2 { CG:24.759 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } ::sumAvg: 4.065 atom: 30 4K-QD D 1.696 ambi=2 { CD:29.099 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } ::sumAvg: 4.665 atom: 42 5S-HA A 4.752 ambi=1 { CA:56.342 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } ::sumAvg: 2.6 atom: 54 6P-HD2 D 3.829 ambi=2 { CD:50.764 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } :: atom: 55 6P-HD3 D 3.724 ambi=2 { CD:50.764 } atom: 41 5S-H N 8.373 ambi=1 { N:118.565 } ::sumAvg: 3.865 atom: 62 7Q-HB2 B 1.968 ambi=2 { CB:29.809 } atom: 66 7Q-HE21 E2 7.628 ambi=1 { NE2:113.215 } :: atom: 62 7Q-HB2 B 1.968 ambi=2 { CB:29.809 } atom: 67 7Q-HE22 E2 6.923 ambi=1 { NE2:113.215 } :: atom: 63 7Q-HB3 B 2.071 ambi=2 { CB:29.809 } atom: 66 7Q-HE21 E2 7.628 ambi=1 { NE2:113.215 } :: atom: 63 7Q-HB3 B 2.071 ambi=2 { CB:29.809 } atom: 67 7Q-HE22 E2 6.923 ambi=1 { NE2:113.215 } ::sumAvg: 3.735 atom: 62 7Q-HB2 B 1.968 ambi=2 { CB:29.809 } atom: 76 8K-HA A 4.571 ambi=1 { CA:54.291 } :: atom: 63 7Q-HB3 B 2.071 ambi=2 { CB:29.809 } atom: 76 8K-HA A 4.571 ambi=1 { CA:54.291 } ::sumAvg: 4.875 atom: 62 7Q-HB2 B 1.968 ambi=2 { CB:29.809 } atom: 49 6P-HA A 4.441 ambi=1 { CA:63.16 } :: atom: 63 7Q-HB3 B 2.071 ambi=2 { CB:29.809 } atom: 49 6P-HA A 4.441 ambi=1 { CA:63.16 } ::sumAvg: 4.735 atom: 49 6P-HA A 4.441 ambi=1 { CA:63.16 } atom: 64 7Q-QG G 2.383 ambi=2 { CG:33.888 } ::sumAvg: 4.795 atom: 64 7Q-QG G 2.383 ambi=2 { CG:33.888 } atom: 49 6P-HA A 4.441 ambi=1 { CA:63.16 } ::sumAvg: 4.795 atom: 54 6P-HD2 D 3.829 ambi=2 { CD:50.764 } atom: 60 7Q-H N 8.467 ambi=1 { N:121.1 } :: atom: 55 6P-HD3 D 3.724 ambi=2 { CD:50.764 } atom: 60 7Q-H N 8.467 ambi=1 { N:121.1 } ::sumAvg: 4.34 atom: 61 7Q-HA A 4.321 ambi=1 { CA:55.896 } atom: 66 7Q-HE21 E2 7.628 ambi=1 { NE2:113.215 } ::sumAvg: 4.725 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 77 8K-HB2 B 1.82 ambi=2 { CB:32.375 } :: atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 78 8K-HB3 B 1.697 ambi=2 { CB:32.375 } ::sumAvg: 3.57 atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } atom: 75 8K-H N 8.449 ambi=1 { N:124.303 } ::sumAvg: 3.99 atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } atom: 75 8K-H N 8.449 ambi=1 { N:124.303 } :: atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } atom: 75 8K-H N 8.449 ambi=1 { N:124.303 } ::sumAvg: 4.73 atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } atom: 76 8K-HA A 4.571 ambi=1 { CA:54.291 } ::sumAvg: 3.035 atom: 76 8K-HA A 4.571 ambi=1 { CA:54.291 } atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } ::sumAvg: 4.38 atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } atom: 76 8K-HA A 4.571 ambi=1 { CA:54.291 } ::sumAvg: 4.38 atom: 76 8K-HA A 4.571 ambi=1 { CA:54.291 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } ::sumAvg: 4.93 atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } atom: 79 8K-HG2 G 1.506 ambi=2 { CG:24.947 } :: atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } atom: 79 8K-HG2 G 1.506 ambi=2 { CG:24.947 } :: atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } atom: 80 8K-HG3 G 1.418 ambi=2 { CG:24.947 } :: atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } atom: 80 8K-HG3 G 1.418 ambi=2 { CG:24.947 } ::sumAvg: 3.34 atom: 79 8K-HG2 G 1.506 ambi=2 { CG:24.947 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } :: atom: 80 8K-HG3 G 1.418 ambi=2 { CG:24.947 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } ::sumAvg: 4.24 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 79 8K-HG2 G 1.506 ambi=2 { CG:24.947 } :: atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 80 8K-HG3 G 1.418 ambi=2 { CG:24.947 } ::sumAvg: 4.24 atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } :: atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } ::sumAvg: 3.815 atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } ::sumAvg: 4.525 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } ::sumAvg: 4.525 atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } ::sumAvg: 4.93 atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } atom: 81 8K-QD D 1.686 ambi=2 { CD:29.15 } ::sumAvg: 4.93 atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } :: atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } ::sumAvg: 4.76 atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } :: atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } ::sumAvg: 4.76 atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } ::sumAvg: 4.84 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 83 8K-QE E 2.982 ambi=2 { CE:42.203 } ::sumAvg: 4.84 atom: 92 9P-HA A 4.613 ambi=1 { CA:62.863 } atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } :: atom: 92 9P-HA A 4.613 ambi=1 { CA:62.863 } atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } ::sumAvg: 3.925 atom: 92 9P-HA A 4.613 ambi=1 { CA:62.863 } atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } ::sumAvg: 4.845 atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.23 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } ::sumAvg: 4.23 atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } ::sumAvg: 4.515 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } ::sumAvg: 4.515 atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 4.58 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } ::sumAvg: 4.58 atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.86 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } ::sumAvg: 4.86 atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } ::sumAvg: 4.655 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } ::sumAvg: 4.655 atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } ::sumAvg: 4.02 atom: 851 72T-HB B 4.073 ambi=1 { CB:69.238 } atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } ::sumAvg: 4.22 atom: 93 9P-QB B 2.168 ambi=2 { CB:31.149 } atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } ::sumAvg: 4.72 atom: 95 9P-HG2 G 2.161 ambi=2 { CG:27.738 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } :: atom: 96 9P-HG3 G 2.083 ambi=2 { CG:27.738 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } ::sumAvg: 4.985 atom: 95 9P-HG2 G 2.161 ambi=2 { CG:27.738 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } :: atom: 96 9P-HG3 G 2.083 ambi=2 { CG:27.738 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } ::sumAvg: 4.905 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 95 9P-HG2 G 2.161 ambi=2 { CG:27.738 } :: atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 96 9P-HG3 G 2.083 ambi=2 { CG:27.738 } ::sumAvg: 4.905 atom: 95 9P-HG2 G 2.161 ambi=2 { CG:27.738 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } :: atom: 96 9P-HG3 G 2.083 ambi=2 { CG:27.738 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } ::sumAvg: 3.2 atom: 95 9P-HG2 G 2.161 ambi=2 { CG:27.738 } atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } :: atom: 96 9P-HG3 G 2.083 ambi=2 { CG:27.738 } atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } ::sumAvg: 4.805 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } :: atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } ::sumAvg: 4.855 atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } :: atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } ::sumAvg: 4.875 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } :: atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } ::sumAvg: 4.9 atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } atom: 97 9P-HD2 D 3.779 ambi=2 { CD:50.604 } :: atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } atom: 98 9P-HD3 D 3.679 ambi=2 { CD:50.604 } ::sumAvg: 4.555 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } ::sumAvg: 4.93 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } ::sumAvg: 4.43 atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } ::sumAvg: 4.25 atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } :: atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 103 10I-H N 8.446 ambi=1 { N:120.376 } ::sumAvg: 4.24 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.485 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.485 atom: 119 11V-HB B 1.729 ambi=1 { CB:35.008 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.605 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 3.425 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 4.015 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.015 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 4.945 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.56 atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } :: atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.56 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.64 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.64 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } ::sumAvg: 4.435 atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } ::sumAvg: 4.435 atom: 104 10I-HA A 5.082 ambi=1 { CA:59.453 } atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } ::sumAvg: 4.82 atom: 105 10I-HB B 1.761 ambi=1 { CB:44.15 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.36 atom: 105 10I-HB B 1.761 ambi=1 { CB:44.15 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.885 atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 4.245 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } ::sumAvg: 4.245 atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 3.325 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } ::sumAvg: 3.325 atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } :: atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } ::sumAvg: 4.145 atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } :: atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 106 10I-HG12 G1 1.327 ambi=2 { CG1:25.68 } :: atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } :: atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 107 10I-HG13 G1 1.058 ambi=2 { CG1:25.68 } ::sumAvg: 4.07 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 277 23V-HA A 5.023 ambi=1 { CA:57.386 } ::sumAvg: 4.845 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } :: atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } ::sumAvg: 4.455 atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } :: atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } ::sumAvg: 4.455 atom: 108 10I-HG2 G2 0.748 ambi=1 { CG2:19.468 } atom: 292 24P-QD D 3.835 ambi=2 { CD:50.838 } ::sumAvg: 4.1 atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.19 atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 4.28 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } ::sumAvg: 2.785 atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } atom: 136 12R-HE E 7.317 ambi=1 { NE:84.045 } ::sumAvg: 3.68 atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.65 atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 4.735 atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } ::sumAvg: 4.61 atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } :: atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 109 10I-HD1 D1 0.769 ambi=1 { CD1:14.11 } ::sumAvg: 4.28 atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } ::sumAvg: 4.755 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } ::sumAvg: 4.95 atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } ::sumAvg: 4.615 atom: 277 23V-HA A 5.023 ambi=1 { CA:57.386 } atom: 117 11V-H N 8.857 ambi=1 { N:120.623 } ::sumAvg: 4.825 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 3.805 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 3.805 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.75 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.28 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.675 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.785 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.785 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } ::sumAvg: 3.63 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 4.93 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.93 atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.77 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 118 11V-HA A 4.294 ambi=1 { CA:61.994 } ::sumAvg: 4.77 atom: 119 11V-HB B 1.729 ambi=1 { CB:35.008 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 3.735 atom: 119 11V-HB B 1.729 ambi=1 { CB:35.008 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.24 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 4.715 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 4.715 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } ::sumAvg: 3.955 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 4.405 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } ::sumAvg: 4.76 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } ::sumAvg: 4.18 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 3.55 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } ::sumAvg: 3.82 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } ::sumAvg: 4.29 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 4.29 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 3.815 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 3.71 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 851 72T-HB B 4.073 ambi=1 { CB:69.238 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 851 72T-HB B 4.073 ambi=1 { CB:69.238 } ::sumAvg: 4.87 atom: 851 72T-HB B 4.073 ambi=1 { CB:69.238 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 851 72T-HB B 4.073 ambi=1 { CB:69.238 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 4.87 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } ::sumAvg: 3.855 atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } :: atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 4.825 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } ::sumAvg: 3.165 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } ::sumAvg: 4.885 atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 4.885 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 3.32 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 3.32 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } ::sumAvg: 4.705 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } ::sumAvg: 4.895 atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } :: atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 3.52 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 120 11V-HG1 G1 0.825 ambi=2 { CG1:21.599 } :: atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 121 11V-HG2 G2 0.774 ambi=2 { CG2:22.143 } ::sumAvg: 4.915 atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.13 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.09 atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } :: atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.695 atom: 879 75E-HG2 G 2.41 ambi=2 { CG:36.885 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } :: atom: 880 75E-HG3 G 2.094 ambi=2 { CG:36.885 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.64 atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 128 12R-H N 8.201 ambi=1 { N:126.163 } ::sumAvg: 4.355 atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } ::sumAvg: 3.985 atom: 146 13V-HB B 1.711 ambi=1 { CB:34.123 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 4.56 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 3.535 atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 4.805 atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 2.505 atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } atom: 267 22V-HB B 1.909 ambi=1 { CB:35.056 } ::sumAvg: 4.69 atom: 267 22V-HB B 1.909 ambi=1 { CB:35.056 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 4.69 atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 3.705 atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.61 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 129 12R-HA A 4.553 ambi=1 { CA:56.316 } ::sumAvg: 4.61 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 136 12R-HE E 7.317 ambi=1 { NE:84.045 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 136 12R-HE E 7.317 ambi=1 { NE:84.045 } ::sumAvg: 3.73 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 4.995 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.09 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } ::sumAvg: 4.935 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.51 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 2.975 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } ::sumAvg: 4.9 atom: 130 12R-HB2 B 1.79 ambi=2 { CB:31.47 } atom: 879 75E-HG2 G 2.41 ambi=2 { CG:36.885 } :: atom: 131 12R-HB3 B 1.756 ambi=2 { CB:31.47 } atom: 879 75E-HG2 G 2.41 ambi=2 { CG:36.885 } ::sumAvg: 3.235 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.045 atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 4.045 atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 267 22V-HB B 1.909 ambi=1 { CB:35.056 } ::sumAvg: 4.64 atom: 267 22V-HB B 1.909 ambi=1 { CB:35.056 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 4.64 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 2.03 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 2.03 atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } :: atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.635 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 132 12R-HG2 G 1.607 ambi=2 { CG:27.999 } :: atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 133 12R-HG3 G 1.467 ambi=2 { CG:27.999 } ::sumAvg: 4.635 atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.605 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } ::sumAvg: 3.295 atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.7 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } ::sumAvg: 4.7 atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } :: atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } ::sumAvg: 4.385 atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } atom: 879 75E-HG2 G 2.41 ambi=2 { CG:36.885 } :: atom: 134 12R-QD D 3.176 ambi=2 { CD:43.307 } atom: 880 75E-HG3 G 2.094 ambi=2 { CG:36.885 } ::sumAvg: 3.335 atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } ::sumAvg: 4.955 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } ::sumAvg: 3.25 atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } :: atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } ::sumAvg: 4.58 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 144 13V-H N 8.538 ambi=1 { N:122.328 } ::sumAvg: 4.93 atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.54 atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 3.795 atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } ::sumAvg: 4.92 atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } ::sumAvg: 4.61 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } ::sumAvg: 4.805 atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.345 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } ::sumAvg: 4.345 atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } :: atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } ::sumAvg: 4.865 atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } ::sumAvg: 4.13 atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } ::sumAvg: 4.625 atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 145 13V-HA A 4.636 ambi=1 { CA:60.982 } ::sumAvg: 4.625 atom: 146 13V-HB B 1.711 ambi=1 { CB:34.123 } atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } ::sumAvg: 3.6 atom: 146 13V-HB B 1.711 ambi=1 { CB:34.123 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.22 atom: 146 13V-HB B 1.711 ambi=1 { CB:34.123 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 4.965 atom: 146 13V-HB B 1.711 ambi=1 { CB:34.123 } atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } ::sumAvg: 4.785 atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 146 13V-HB B 1.711 ambi=1 { CB:34.123 } ::sumAvg: 4.785 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.41 atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } :: atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } ::sumAvg: 4.41 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 4.68 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.62 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 4.86 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } ::sumAvg: 3.705 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } ::sumAvg: 3.745 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 4.94 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.675 atom: 147 13V-HG1 G1 0.633 ambi=2 { CG1:21.75 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } :: atom: 148 13V-HG2 G2 0.738 ambi=2 { CG2:21.535 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } ::sumAvg: 4.08 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 155 14F-H N 9.131 ambi=1 { N:127.959 } ::sumAvg: 4.975 atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.59 atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.37 atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 2.38 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } ::sumAvg: 2.38 atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } :: atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } ::sumAvg: 4.975 atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } :: atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } ::sumAvg: 4.975 atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } ::sumAvg: 4.845 atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 156 14F-HA A 4.643 ambi=1 { CA:57.644 } ::sumAvg: 4.845 atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.38 atom: 174 15L-HA A 4.681 ambi=1 { CA:53.088 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 174 15L-HA A 4.681 ambi=1 { CA:53.088 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.995 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.545 atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } :: atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } ::sumAvg: 4.53 atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } :: atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.53 atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } ::sumAvg: 3.9 atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } ::sumAvg: 4.115 atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.78 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 157 14F-HB2 B 3.046 ambi=2 { CB:39.458 } :: atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 158 14F-HB3 B 2.338 ambi=2 { CB:39.458 } ::sumAvg: 4.78 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 3.995 atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } :: atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 2.88 atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } :: atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 4.07 atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } :: atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 3.565 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 4.66 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 4.815 atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } :: atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } atom: 159 14F-QD D 6.908 ambi=3 { CD1:131.273 } ::sumAvg: 4.915 atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } :: atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 3.865 atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } :: atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.385 atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } :: atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 2.735 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 161 14F-QE E 7.147 ambi=3 { CE1:131.133 } ::sumAvg: 4.34 atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } :: atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } ::sumAvg: 4.08 atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } :: atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } ::sumAvg: 4.6 atom: 879 75E-HG2 G 2.41 ambi=2 { CG:36.885 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } :: atom: 880 75E-HG3 G 2.094 ambi=2 { CG:36.885 } atom: 163 14F-HZ Z 7.237 ambi=1 { CZ:129.751 } ::sumAvg: 4.64 atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } ::sumAvg: 4.855 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } ::sumAvg: 2.39 atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } :: atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } ::sumAvg: 4.095 atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } :: atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } atom: 173 15L-H N 8.556 ambi=1 { N:124.479 } ::sumAvg: 4.835 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 174 15L-HA A 4.681 ambi=1 { CA:53.088 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 174 15L-HA A 4.681 ambi=1 { CA:53.088 } ::sumAvg: 4.34 atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 174 15L-HA A 4.681 ambi=1 { CA:53.088 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 174 15L-HA A 4.681 ambi=1 { CA:53.088 } ::sumAvg: 4.37 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } ::sumAvg: 4.965 atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.965 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } ::sumAvg: 4.995 atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.995 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.205 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } ::sumAvg: 3.725 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } ::sumAvg: 4.385 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 3.835 atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 3.835 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } ::sumAvg: 4.02 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.76 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 3.76 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } ::sumAvg: 4.895 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } ::sumAvg: 4.3 atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } :: atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } ::sumAvg: 4.3 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.595 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } ::sumAvg: 3.645 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } ::sumAvg: 4.67 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } ::sumAvg: 3.58 atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 175 15L-HB2 B 1.558 ambi=2 { CB:41.905 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 176 15L-HB3 B 1.532 ambi=2 { CB:41.905 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.535 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.645 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } :: atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } ::sumAvg: 4.265 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.515 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } ::sumAvg: 3.45 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 258 21T-HB B 3.98 ambi=1 { CB:69.789 } ::sumAvg: 4.11 atom: 258 21T-HB B 3.98 ambi=1 { CB:69.789 } atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } ::sumAvg: 4.11 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } ::sumAvg: 2.445 atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } ::sumAvg: 2.445 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } :: atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } ::sumAvg: 4.695 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } ::sumAvg: 4.695 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } ::sumAvg: 4.735 atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } ::sumAvg: 4.735 atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.255 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 177 15L-HG G 1.457 ambi=1 { CG:27.461 } ::sumAvg: 4.255 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 4.54 atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 4.07 atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } ::sumAvg: 4.115 atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 4.73 atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } ::sumAvg: 4.005 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 4.005 atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } ::sumAvg: 4.395 atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 3.925 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 3.705 atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 3.635 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 3.635 atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } :: atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 3.8 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 3.06 atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } :: atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 4.17 atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } atom: 178 15L-HD1 D1 0.641 ambi=2 { CD1:25.294 } :: atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } atom: 179 15L-HD2 D2 0.69 ambi=2 { CD2:23.661 } ::sumAvg: 2.585 atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } ::sumAvg: 3.59 atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } :: atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } ::sumAvg: 4.89 atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } ::sumAvg: 4.89 atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } ::sumAvg: 4.255 atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } ::sumAvg: 4.995 atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.915 atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.27 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 186 16P-HA A 4.619 ambi=1 { CA:63.772 } ::sumAvg: 4.27 atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } atom: 197 17N-H N 8.845 ambi=1 {attached_atom is not_assigned} :: atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } atom: 197 17N-H N 8.845 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3 atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } :: atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } ::sumAvg: 4.795 atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } ::sumAvg: 4.795 atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } ::sumAvg: 3.965 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } ::sumAvg: 4.395 atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } ::sumAvg: 3.52 atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } :: atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } ::sumAvg: 3.56 atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } :: atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.97 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 187 16P-HB2 B 2.561 ambi=2 { CB:32.025 } :: atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 188 16P-HB3 B 1.833 ambi=2 { CB:32.025 } ::sumAvg: 4.97 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 197 17N-H N 8.845 ambi=1 {attached_atom is not_assigned} :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 197 17N-H N 8.845 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.755 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } :: atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } ::sumAvg: 4.22 atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } :: atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } ::sumAvg: 2.675 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.985 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } :: atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } ::sumAvg: 4.985 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } ::sumAvg: 4.55 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } ::sumAvg: 3.075 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } ::sumAvg: 3.76 atom: 189 16P-HG2 G 2.013 ambi=2 { CG:28.421 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } :: atom: 190 16P-HG3 G 1.96 ambi=2 { CG:28.421 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.16 atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.645 atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } :: atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } ::sumAvg: 4.76 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.76 atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } ::sumAvg: 4.58 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.58 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 2.295 atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } ::sumAvg: 4.865 atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } ::sumAvg: 4.495 atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.495 atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.125 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 191 16P-HD2 D 3.595 ambi=2 { CD:50.255 } :: atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 192 16P-HD3 D 3.411 ambi=2 { CD:50.255 } ::sumAvg: 4.125 atom: 209 18K-HA A 3.975 ambi=1 { CA:57.861 } atom: 197 17N-H N 8.845 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.795 atom: 212 18K-QG G 1.432 ambi=2 { CG:25.587 } atom: 197 17N-H N 8.845 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.4 atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 201 17N-HD21 D2 7.624 ambi=1 { ND2:112.386 } :: atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 202 17N-HD22 D2 6.905 ambi=1 { ND2:112.386 } ::sumAvg: 4.41 atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 209 18K-HA A 3.975 ambi=1 { CA:57.861 } ::sumAvg: 4.755 atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } :: atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } ::sumAvg: 4.26 atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } ::sumAvg: 4.26 atom: 216 18K-QE E 3.034 ambi=2 { CE:42.343 } atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } ::sumAvg: 4.8 atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } ::sumAvg: 4.675 atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 4.635 atom: 198 17N-HA A 4.482 ambi=1 { CA:53.998 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } ::sumAvg: 4.78 atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } :: atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } ::sumAvg: 4.485 atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } :: atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } ::sumAvg: 4.485 atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 212 18K-QG G 1.432 ambi=2 { CG:25.587 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 212 18K-QG G 1.432 ambi=2 { CG:25.587 } ::sumAvg: 4.705 atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } ::sumAvg: 4.21 atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } :: atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } ::sumAvg: 4.49 atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } :: atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } ::sumAvg: 4.49 atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } :: atom: 199 17N-HB2 B 3.01 ambi=2 { CB:37.046 } atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } :: atom: 200 17N-HB3 B 2.956 ambi=2 { CB:37.046 } atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } ::sumAvg: 3.31 atom: 216 18K-QE E 3.034 ambi=2 { CE:42.343 } atom: 208 18K-H N 8.721 ambi=1 { N:111.363 } ::sumAvg: 4.805 atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 208 18K-H N 8.721 ambi=1 { N:111.363 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 208 18K-H N 8.721 ambi=1 { N:111.363 } ::sumAvg: 4.445 atom: 214 18K-HD2 D 1.758 ambi=2 { CD:29.412 } atom: 209 18K-HA A 3.975 ambi=1 { CA:57.861 } :: atom: 215 18K-HD3 D 1.697 ambi=2 { CD:29.412 } atom: 209 18K-HA A 3.975 ambi=1 { CA:57.861 } ::sumAvg: 4.33 atom: 216 18K-QE E 3.034 ambi=2 { CE:42.343 } atom: 209 18K-HA A 3.975 ambi=1 { CA:57.861 } ::sumAvg: 4.655 atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 216 18K-QE E 3.034 ambi=2 { CE:42.343 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 216 18K-QE E 3.034 ambi=2 { CE:42.343 } ::sumAvg: 3.945 atom: 216 18K-QE E 3.034 ambi=2 { CE:42.343 } atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } :: atom: 216 18K-QE E 3.034 ambi=2 { CE:42.343 } atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } ::sumAvg: 3.945 atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } ::sumAvg: 4.1 atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } ::sumAvg: 4.73 atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } :: atom: 210 18K-HB2 B 2.128 ambi=2 { CB:29.331 } atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } :: atom: 211 18K-HB3 B 2.057 ambi=2 { CB:29.331 } atom: 232 19Q-HE22 E2 6.992 ambi=1 { NE2:113.037 } ::sumAvg: 3.32 atom: 212 18K-QG G 1.432 ambi=2 { CG:25.587 } atom: 225 19Q-H N 7.013 ambi=1 { N:117.906 } ::sumAvg: 4.555 atom: 212 18K-QG G 1.432 ambi=2 { CG:25.587 } atom: 231 19Q-HE21 E2 7.545 ambi=1 { NE2:113.037 } ::sumAvg: 4.935 atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.52 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } ::sumAvg: 4.52 atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } :: atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } atom: 226 19Q-HA A 4.519 ambi=1 { CA:55.153 } ::sumAvg: 4.305 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } :: atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } ::sumAvg: 4.375 atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } ::sumAvg: 3.75 atom: 227 19Q-HB2 B 2.048 ambi=2 { CB:30.17 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } :: atom: 228 19Q-HB3 B 1.876 ambi=2 { CB:30.17 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } ::sumAvg: 4.005 atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } ::sumAvg: 4.845 atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 4.845 atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } :: atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } ::sumAvg: 4.09 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 4.09 atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } ::sumAvg: 3.1 atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } :: atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } :: atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } ::sumAvg: 3.1 atom: 229 19Q-HG2 G 2.446 ambi=2 { CG:34.132 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } :: atom: 230 19Q-HG3 G 2.381 ambi=2 { CG:34.132 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } ::sumAvg: 3.65 atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } ::sumAvg: 4.945 atom: 258 21T-HB B 3.98 ambi=1 { CB:69.789 } atom: 240 20R-H N 8.649 ambi=1 { N:121.115 } ::sumAvg: 4.775 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } :: atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } ::sumAvg: 4.485 atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } :: atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.485 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } ::sumAvg: 4.465 atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.465 atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } atom: 258 21T-HB B 3.98 ambi=1 { CB:69.789 } ::sumAvg: 4.555 atom: 258 21T-HB B 3.98 ambi=1 { CB:69.789 } atom: 241 20R-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.555 atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } :: atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } ::sumAvg: 4.615 atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 242 20R-HB2 B 1.662 ambi=2 { CB:33.543 } :: atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 243 20R-HB3 B 1.455 ambi=2 { CB:33.543 } ::sumAvg: 4.46 atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } :: atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } ::sumAvg: 2.815 atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 244 20R-HG2 G 1.246 ambi=2 { CG:26.507 } :: atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 245 20R-HG3 G 1.226 ambi=2 { CG:26.507 } ::sumAvg: 3.755 atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } :: atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 4.84 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 246 20R-HD2 D 2.887 ambi=2 { CD:43.532 } :: atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 247 20R-HD3 D 2.869 ambi=2 { CD:43.532 } ::sumAvg: 4.84 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 248 20R-HE E 7.024 ambi=1 { NE:85.118 } ::sumAvg: 4.38 atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } atom: 256 21T-H N 8.842 ambi=1 { N:115.825 } ::sumAvg: 4.735 atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } atom: 267 22V-HB B 1.909 ambi=1 { CB:35.056 } ::sumAvg: 4.635 atom: 267 22V-HB B 1.909 ambi=1 { CB:35.056 } atom: 257 21T-HA A 4.679 ambi=1 { CA:60.211 } ::sumAvg: 4.635 atom: 258 21T-HB B 3.98 ambi=1 { CB:69.789 } atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } ::sumAvg: 3.6 atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 4.31 atom: 259 21T-HG2 G2 0.843 ambi=1 { CG2:18.252 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 4.75 atom: 277 23V-HA A 5.023 ambi=1 { CA:57.386 } atom: 265 22V-H N 8.222 ambi=1 { N:121.686 } ::sumAvg: 4.915 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 266 22V-HA A 5.014 ambi=1 { CA:60.556 } ::sumAvg: 4.965 atom: 277 23V-HA A 5.023 ambi=1 { CA:57.386 } atom: 267 22V-HB B 1.909 ambi=1 { CB:35.056 } ::sumAvg: 4.825 atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } :: atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } ::sumAvg: 4.5 atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } atom: 268 22V-HG1 G1 0.875 ambi=2 { CG1:22.112 } :: atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } atom: 269 22V-HG2 G2 0.854 ambi=2 { CG2:20.537 } ::sumAvg: 4.5 atom: 292 24P-QD D 3.835 ambi=2 { CD:50.838 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 4.335 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 276 23V-H N 8.635 ambi=1 { N:118.521 } ::sumAvg: 4.595 atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } ::sumAvg: 4.59 atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } ::sumAvg: 4.59 atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } ::sumAvg: 4.07 atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } :: atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } ::sumAvg: 4.07 atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } :: atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } ::sumAvg: 4.05 atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } :: atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } ::sumAvg: 4.75 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 278 23V-HB B 2.246 ambi=1 { CB:33.372 } ::sumAvg: 4.75 atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } :: atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } ::sumAvg: 4.43 atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 287 24P-HA A 4.624 ambi=1 { CA:62.395 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.43 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.395 atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } :: atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.855 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.855 atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.46 atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } :: atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.595 atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 2.995 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.86 atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 3.3 atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 4.61 atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } :: atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.315 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 279 23V-HG1 G1 0.889 ambi=2 { CG1:21.779 } :: atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 280 23V-HG2 G2 0.69 ambi=2 { CG2:19.02 } ::sumAvg: 2.975 atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } :: atom: 289 24P-HB3 B 1.81 ambi=2 { CB:32.365 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.625 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } :: atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 289 24P-HB3 B 1.81 ambi=2 { CB:32.365 } ::sumAvg: 4.625 atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } :: atom: 289 24P-HB3 B 1.81 ambi=2 { CB:32.365 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.905 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } :: atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 289 24P-HB3 B 1.81 ambi=2 { CB:32.365 } ::sumAvg: 4.905 atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } :: atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } ::sumAvg: 3.17 atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } :: atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } ::sumAvg: 3.17 atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } atom: 312 26R-QD D 3.193 ambi=2 { CD:43.433 } :: atom: 289 24P-HB3 B 1.81 ambi=2 { CB:32.365 } atom: 312 26R-QD D 3.193 ambi=2 { CD:43.433 } ::sumAvg: 4.33 atom: 288 24P-HB2 B 2.369 ambi=2 { CB:32.365 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } :: atom: 289 24P-HB3 B 1.81 ambi=2 { CB:32.365 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } ::sumAvg: 3.415 atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } :: atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } ::sumAvg: 4.84 atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } :: atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } :: atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } :: atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } ::sumAvg: 4.51 atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } atom: 312 26R-QD D 3.193 ambi=2 { CD:43.433 } :: atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } atom: 312 26R-QD D 3.193 ambi=2 { CD:43.433 } ::sumAvg: 4.84 atom: 290 24P-HG2 G 2.128 ambi=2 { CG:27.602 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } :: atom: 291 24P-HG3 G 2.029 ambi=2 { CG:27.602 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } ::sumAvg: 4.32 atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } :: atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } ::sumAvg: 4.415 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } ::sumAvg: 4.545 atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } atom: 299 25A-H N 8.135 ambi=1 { N:127.629 } ::sumAvg: 4.585 atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } :: atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.615 atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } :: atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.085 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } ::sumAvg: 4.99 atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.99 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.855 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } ::sumAvg: 4.055 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.055 atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } :: atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } ::sumAvg: 4.895 atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } :: atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 300 25A-HA A 4.359 ambi=1 { CA:49.92 } ::sumAvg: 4.895 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } ::sumAvg: 4.11 atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.11 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } :: atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } ::sumAvg: 4.775 atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } :: atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.775 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.73 atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.955 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 2.91 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.92 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.41 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } ::sumAvg: 4.765 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 3.985 atom: 301 25A-HB B 0.991 ambi=1 { CB:18.831 } atom: 851 72T-HB B 4.073 ambi=1 { CB:69.238 } ::sumAvg: 4.235 atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 4.99 atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 3.185 atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } :: atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 4 atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 4.66 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 4.35 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 4.27 atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } :: atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 306 26R-H N 6.764 ambi=1 { N:122.703 } ::sumAvg: 3.875 atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } atom: 312 26R-QD D 3.193 ambi=2 { CD:43.433 } ::sumAvg: 3.93 atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } ::sumAvg: 4.81 atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } :: atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } ::sumAvg: 4.475 atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } ::sumAvg: 4.19 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } ::sumAvg: 4.19 atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 307 26R-HA A 4.286 ambi=1 { CA:55.289 } ::sumAvg: 3.94 atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } :: atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } ::sumAvg: 4.54 atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } :: atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } ::sumAvg: 4.89 atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } :: atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } ::sumAvg: 4.89 atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } atom: 324 27C-HB2 B 2.928 ambi=2 { CB:27.145 } :: atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } atom: 325 27C-HB3 B 2.879 ambi=2 { CB:27.145 } :: atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } atom: 324 27C-HB2 B 2.928 ambi=2 { CB:27.145 } :: atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } atom: 325 27C-HB3 B 2.879 ambi=2 { CB:27.145 } ::sumAvg: 4.6 atom: 324 27C-HB2 B 2.928 ambi=2 { CB:27.145 } atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } :: atom: 325 27C-HB3 B 2.879 ambi=2 { CB:27.145 } atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } :: atom: 324 27C-HB2 B 2.928 ambi=2 { CB:27.145 } atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } :: atom: 325 27C-HB3 B 2.879 ambi=2 { CB:27.145 } atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } ::sumAvg: 4.6 atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } :: atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } ::sumAvg: 4.02 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 308 26R-HB2 B 1.746 ambi=2 { CB:31.741 } :: atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 309 26R-HB3 B 1.541 ambi=2 { CB:31.741 } ::sumAvg: 3.635 atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } :: atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } atom: 314 26R-HE E 7.229 ambi=1 { NE:84.704 } ::sumAvg: 2.765 atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } :: atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } ::sumAvg: 4.345 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 310 26R-HG2 G 1.586 ambi=2 { CG:27.256 } :: atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 311 26R-HG3 G 1.547 ambi=2 { CG:27.256 } ::sumAvg: 4.345 atom: 312 26R-QD D 3.193 ambi=2 { CD:43.433 } atom: 322 27C-H N 8.394 ambi=1 { N:121.473 } ::sumAvg: 4.845 atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } atom: 322 27C-H N 8.394 ambi=1 { N:121.473 } :: atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } atom: 322 27C-H N 8.394 ambi=1 { N:121.473 } ::sumAvg: 4.48 atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } :: atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } ::sumAvg: 4.865 atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } ::sumAvg: 4.335 atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 3.815 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } ::sumAvg: 4.89 atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } :: atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 323 27C-HA A 4.465 ambi=1 { CA:59.603 } ::sumAvg: 2.41 atom: 331 28G-HA2 A 4.184 ambi=2 { CA:45.15 } atom: 324 27C-HB2 B 2.928 ambi=2 { CB:27.145 } :: atom: 332 28G-HA3 A 3.566 ambi=2 { CA:45.15 } atom: 324 27C-HB2 B 2.928 ambi=2 { CB:27.145 } :: atom: 331 28G-HA2 A 4.184 ambi=2 { CA:45.15 } atom: 325 27C-HB3 B 2.879 ambi=2 { CB:27.145 } :: atom: 332 28G-HA3 A 3.566 ambi=2 { CA:45.15 } atom: 325 27C-HB3 B 2.879 ambi=2 { CB:27.145 } ::sumAvg: 4.77 atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } ::sumAvg: 4.885 atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } :: atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } ::sumAvg: 4.525 atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } ::sumAvg: 4.755 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } ::sumAvg: 4.145 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } ::sumAvg: 4.75 atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } :: atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 330 28G-H N 9.708 ambi=1 { N:115.769 } ::sumAvg: 4.13 atom: 337 29V-HA A 4.493 ambi=1 { CA:60.718 } atom: 332 28G-HA3 A 3.566 ambi=2 { CA:45.15 } ::sumAvg: 4.495 atom: 331 28G-HA2 A 4.184 ambi=2 { CA:45.15 } atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } :: atom: 331 28G-HA2 A 4.184 ambi=2 { CA:45.15 } atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } :: atom: 332 28G-HA3 A 3.566 ambi=2 { CA:45.15 } atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } :: atom: 332 28G-HA3 A 3.566 ambi=2 { CA:45.15 } atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } ::sumAvg: 3.815 atom: 331 28G-HA2 A 4.184 ambi=2 { CA:45.15 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 331 28G-HA2 A 4.184 ambi=2 { CA:45.15 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } :: atom: 332 28G-HA3 A 3.566 ambi=2 { CA:45.15 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 332 28G-HA3 A 3.566 ambi=2 { CA:45.15 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.805 atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } ::sumAvg: 4.63 atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } :: atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 336 29V-H N 7.422 ambi=1 { N:122.075 } ::sumAvg: 4.54 atom: 337 29V-HA A 4.493 ambi=1 { CA:60.718 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 337 29V-HA A 4.493 ambi=1 { CA:60.718 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } ::sumAvg: 3.81 atom: 337 29V-HA A 4.493 ambi=1 { CA:60.718 } atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } ::sumAvg: 4.565 atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } atom: 347 30T-H N 8.853 ambi=1 { N:116.161 } ::sumAvg: 4.165 atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.23 atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } ::sumAvg: 4.52 atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } atom: 338 29V-HB B 2.009 ambi=1 { CB:33.122 } ::sumAvg: 4.52 atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } :: atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.005 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } :: atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } ::sumAvg: 4.005 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } ::sumAvg: 4.18 atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } :: atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } ::sumAvg: 3.065 atom: 339 29V-HG1 G1 1.097 ambi=2 { CG1:21.627 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } :: atom: 340 29V-HG2 G2 0.789 ambi=2 { CG2:21.789 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.045 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 347 30T-H N 8.853 ambi=1 { N:116.161 } ::sumAvg: 2.9 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 347 30T-H N 8.853 ambi=1 { N:116.161 } ::sumAvg: 4.695 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } ::sumAvg: 2.395 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 2.36 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.415 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.415 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.82 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.82 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } ::sumAvg: 3.895 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 3.895 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 4.305 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.62 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } ::sumAvg: 4.805 atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } :: atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.805 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } ::sumAvg: 4.97 atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.97 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } ::sumAvg: 4.35 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } ::sumAvg: 2.165 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.505 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.505 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 2.71 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } ::sumAvg: 4.875 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.875 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } ::sumAvg: 4.045 atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.045 atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } ::sumAvg: 4.195 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 348 30T-HA A 4.823 ambi=1 { CA:61.519 } ::sumAvg: 4.195 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.765 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } ::sumAvg: 4.765 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.045 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } ::sumAvg: 4.045 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } ::sumAvg: 4.32 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } ::sumAvg: 4.32 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 2.71 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 3.845 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 3.49 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } ::sumAvg: 4.775 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } ::sumAvg: 4.795 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 770 65D-HB2 B 2.926 ambi=2 { CB:40.309 } :: atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } ::sumAvg: 4.385 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } ::sumAvg: 4.025 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } ::sumAvg: 4.3 atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } ::sumAvg: 4.3 atom: 349 30T-HB B 4.905 ambi=1 { CB:72.284 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.99 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } ::sumAvg: 4.985 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } ::sumAvg: 4.985 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 4.205 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 3.925 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } ::sumAvg: 3.925 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 770 65D-HB2 B 2.926 ambi=2 { CB:40.309 } :: atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } ::sumAvg: 3.13 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } ::sumAvg: 4.51 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } ::sumAvg: 4.415 atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } ::sumAvg: 4.415 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } ::sumAvg: 4.395 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } ::sumAvg: 3.34 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.4 atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } ::sumAvg: 4.4 atom: 350 30T-HG2 G2 1.335 ambi=1 { CG2:22.305 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.545 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.865 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.635 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.315 atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.87 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.455 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.275 atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 3.775 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 356 31V-H N 8.84 ambi=1 { N:124.622 } ::sumAvg: 4.9 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.86 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.86 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.64 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.03 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } ::sumAvg: 4.78 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.78 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } ::sumAvg: 3.68 atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 3.68 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } ::sumAvg: 4.14 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 4.97 atom: 357 31V-HA A 3.52 ambi=1 { CA:67.928 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.37 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.43 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.43 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } ::sumAvg: 4.29 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.29 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.525 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.31 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.31 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } ::sumAvg: 3.865 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 3.865 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } ::sumAvg: 4.44 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.44 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 3.51 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 4.94 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } ::sumAvg: 4.915 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } ::sumAvg: 4.96 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.96 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } ::sumAvg: 3.755 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } ::sumAvg: 3.77 atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 3.77 atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 4.92 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.92 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 358 31V-HB B 2.333 ambi=1 { CB:31.665 } ::sumAvg: 4.265 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 3.34 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } ::sumAvg: 4.35 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 3.645 atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } ::sumAvg: 4.87 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 3.065 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } ::sumAvg: 4.42 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } :: atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } ::sumAvg: 4.42 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 4.25 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } ::sumAvg: 2.75 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } ::sumAvg: 4.665 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 3.67 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } ::sumAvg: 3.275 atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } :: atom: 359 31V-HG1 G1 0.832 ambi=2 { CG1:22.329 } atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } :: atom: 360 31V-HG2 G2 0.835 ambi=2 { CG2:23.534 } atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } ::sumAvg: 4.235 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 3.51 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 3.585 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 367 32R-H N 8.901 ambi=1 { N:119.002 } ::sumAvg: 3.75 atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 3.79 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } ::sumAvg: 4.76 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 391 34S-H N 8.559 ambi=1 { N:116.587 } ::sumAvg: 4.54 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 3.695 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } ::sumAvg: 3.37 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 3.37 atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.985 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.385 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.32 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } ::sumAvg: 4.67 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.135 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.135 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.13 atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } ::sumAvg: 4.34 atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 4.34 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 368 32R-HA A 4.065 ambi=1 { CA:60.633 } ::sumAvg: 3.7 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } ::sumAvg: 2.645 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } ::sumAvg: 4.14 atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } :: atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 4.405 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 4.31 atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 4.795 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 3.6 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 2.79 atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } :: atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 4.94 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 369 32R-HB2 B 1.834 ambi=2 { CB:30.855 } :: atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 370 32R-HB3 B 2.152 ambi=2 { CB:30.855 } ::sumAvg: 3.785 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } ::sumAvg: 3.135 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } ::sumAvg: 4.81 atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } ::sumAvg: 4.81 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } ::sumAvg: 4.785 atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } ::sumAvg: 4.785 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } ::sumAvg: 4.35 atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } :: atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } ::sumAvg: 4.35 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } ::sumAvg: 3.905 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } ::sumAvg: 4.485 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } ::sumAvg: 2.54 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } ::sumAvg: 2.675 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.36 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 4.99 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } ::sumAvg: 4.99 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } :: atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } ::sumAvg: 2.745 atom: 371 32R-HG2 G 1.295 ambi=2 { CG:26.916 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 372 32R-HG3 G 1.021 ambi=2 { CG:26.916 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 3.34 atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } :: atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.275 atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } :: atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } ::sumAvg: 4.275 atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } :: atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } ::sumAvg: 3.8 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } ::sumAvg: 4.8 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } ::sumAvg: 3.425 atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } ::sumAvg: 3.015 atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } :: atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.21 atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } atom: 373 32R-HD2 D 3.149 ambi=2 { CD:43.155 } :: atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } :: atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } atom: 374 32R-HD3 D 3.014 ambi=2 { CD:43.155 } ::sumAvg: 4.21 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 375 32R-HE E 7.665 ambi=1 { NE:82.998 } ::sumAvg: 4.02 atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } :: atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.845 atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } :: atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.76 atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } atom: 383 33D-H N 8.173 ambi=1 { N:118.3 } ::sumAvg: 4.99 atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.395 atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } atom: 417 36K-HG2 G 1.463 ambi=2 { CG:24.512 } :: atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } atom: 418 36K-HG3 G 1.396 ambi=2 { CG:24.512 } ::sumAvg: 3.785 atom: 417 36K-HG2 G 1.463 ambi=2 { CG:24.512 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } :: atom: 418 36K-HG3 G 1.396 ambi=2 { CG:24.512 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } ::sumAvg: 3.785 atom: 421 36K-QE E 2.971 ambi=2 { CE:42.115 } atom: 384 33D-HA A 4.453 ambi=1 { CA:57.387 } ::sumAvg: 3.87 atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } :: atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } ::sumAvg: 4.31 atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } ::sumAvg: 4.31 atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } :: atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } ::sumAvg: 4.675 atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } :: atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } ::sumAvg: 4.675 atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } :: atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } ::sumAvg: 3.89 atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } atom: 385 33D-HB2 B 2.659 ambi=2 { CB:39.873 } :: atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } atom: 386 33D-HB3 B 2.766 ambi=2 { CB:39.873 } ::sumAvg: 3.89 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 391 34S-H N 8.559 ambi=1 { N:116.587 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 391 34S-H N 8.559 ambi=1 { N:116.587 } ::sumAvg: 4.68 atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 391 34S-H N 8.559 ambi=1 { N:116.587 } ::sumAvg: 4.625 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 391 34S-H N 8.559 ambi=1 { N:116.587 } ::sumAvg: 4.74 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } ::sumAvg: 4.77 atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.275 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 392 34S-HA A 4.305 ambi=1 { CA:61.74 } ::sumAvg: 4.715 atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 4.5 atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } ::sumAvg: 4.5 atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } :: atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } ::sumAvg: 4.955 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } ::sumAvg: 4.955 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } ::sumAvg: 3.68 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 393 34S-HB2 B 3.711 ambi=2 { CB:63.328 } :: atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 394 34S-HB3 B 4.178 ambi=2 { CB:63.328 } ::sumAvg: 3.34 atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.75 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.825 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 399 35L-H N 7.855 ambi=1 { N:118.396 } ::sumAvg: 4.845 atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } ::sumAvg: 4.86 atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 4.86 atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 4.53 atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 2.93 atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 4.985 atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } ::sumAvg: 4.06 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 400 35L-HA A 4.506 ambi=1 { CA:55.358 } ::sumAvg: 4.53 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } ::sumAvg: 4.445 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.285 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } ::sumAvg: 2.73 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } ::sumAvg: 2.73 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } ::sumAvg: 3.83 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } ::sumAvg: 4.61 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } ::sumAvg: 4.61 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.865 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } :: atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } ::sumAvg: 4.865 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 4.02 atom: 401 35L-HB2 B 1.915 ambi=2 { CB:43.236 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } :: atom: 402 35L-HB3 B 1.699 ambi=2 { CB:43.236 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 3.905 atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.795 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } ::sumAvg: 4.36 atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 3.97 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } ::sumAvg: 3.665 atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 403 35L-HG G 1.801 ambi=1 { CG:28.482 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } ::sumAvg: 4.455 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.665 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.05 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } ::sumAvg: 4.795 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } ::sumAvg: 4.63 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 3.885 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 4.96 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } :: atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } ::sumAvg: 4.17 atom: 404 35L-HD1 D1 0.821 ambi=2 { CD1:25.278 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } :: atom: 405 35L-HD2 D2 0.77 ambi=2 { CD2:24.446 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } ::sumAvg: 4.87 atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.035 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.725 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 413 36K-H N 7.75 ambi=1 { N:120.105 } ::sumAvg: 4.81 atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.505 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } ::sumAvg: 4.47 atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 4.185 atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } ::sumAvg: 4.555 atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 414 36K-HA A 3.727 ambi=1 { CA:61.723 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } ::sumAvg: 4.25 atom: 421 36K-QE E 2.971 ambi=2 { CE:42.115 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 421 36K-QE E 2.971 ambi=2 { CE:42.115 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } ::sumAvg: 3.95 atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } :: atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } ::sumAvg: 4.44 atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } ::sumAvg: 4.44 atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } atom: 415 36K-HB2 B 2.027 ambi=2 { CB:32.11 } :: atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } :: atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } atom: 416 36K-HB3 B 1.886 ambi=2 { CB:32.11 } ::sumAvg: 4.87 atom: 417 36K-HG2 G 1.463 ambi=2 { CG:24.512 } atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } :: atom: 418 36K-HG3 G 1.396 ambi=2 { CG:24.512 } atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } ::sumAvg: 3.55 atom: 417 36K-HG2 G 1.463 ambi=2 { CG:24.512 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } :: atom: 418 36K-HG3 G 1.396 ambi=2 { CG:24.512 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } ::sumAvg: 4.19 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 417 36K-HG2 G 1.463 ambi=2 { CG:24.512 } :: atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 418 36K-HG3 G 1.396 ambi=2 { CG:24.512 } ::sumAvg: 4.19 atom: 419 36K-QD D 1.674 ambi=2 { CD:29.799 } atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } ::sumAvg: 4.36 atom: 421 36K-QE E 2.971 ambi=2 { CE:42.115 } atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } ::sumAvg: 4.755 atom: 436 37K-QD D 1.727 ambi=2 { CD:29.29 } atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } ::sumAvg: 4.125 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 430 37K-H N 8.619 ambi=1 { N:120.459 } ::sumAvg: 4.495 atom: 436 37K-QD D 1.727 ambi=2 { CD:29.29 } atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } ::sumAvg: 3.97 atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } atom: 439 37K-QE E 3.0225 ambi=2 { CE:42.184 } ::sumAvg: 4.585 atom: 439 37K-QE E 3.0225 ambi=2 { CE:42.184 } atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } ::sumAvg: 4.585 atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } ::sumAvg: 4.42 atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 3.26 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } ::sumAvg: 2.235 atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } atom: 472 40M-HG2 G 2.759 ambi=2 { CG:32.18 } :: atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } atom: 473 40M-HG3 G 2.653 ambi=2 { CG:32.18 } ::sumAvg: 4.575 atom: 431 37K-HA A 4.074 ambi=1 { CA:60.113 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } ::sumAvg: 3.995 atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 439 37K-QE E 3.0225 ambi=2 { CE:42.184 } ::sumAvg: 3.54 atom: 439 37K-QE E 3.0225 ambi=2 { CE:42.184 } atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } ::sumAvg: 3.54 atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 454 39L-H N 8.176 ambi=1 { N:115.747 } ::sumAvg: 4.81 atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 4.74 atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } ::sumAvg: 4.825 atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 4.71 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 432 37K-QB B 1.862 ambi=2 { CB:31.815 } ::sumAvg: 4.71 atom: 434 37K-HG2 G 1.516 ambi=2 { CG:25.264 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } :: atom: 435 37K-HG3 G 1.42 ambi=2 { CG:25.264 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.205 atom: 434 37K-HG2 G 1.516 ambi=2 { CG:25.264 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } :: atom: 435 37K-HG3 G 1.42 ambi=2 { CG:25.264 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } ::sumAvg: 4 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 434 37K-HG2 G 1.516 ambi=2 { CG:25.264 } :: atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 435 37K-HG3 G 1.42 ambi=2 { CG:25.264 } ::sumAvg: 4 atom: 436 37K-QD D 1.727 ambi=2 { CD:29.29 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.805 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.62 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.77 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.58 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 447 38A-H N 8.383 ambi=1 { N:122.321 } ::sumAvg: 4.615 atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 4.46 atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } ::sumAvg: 4.96 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } ::sumAvg: 4.96 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 448 38A-HA A 4.028 ambi=1 { CA:54.775 } ::sumAvg: 4.525 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 3.935 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 4.465 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } ::sumAvg: 4.935 atom: 449 38A-HB B 1.378 ambi=1 { CB:17.523 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 3.785 atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } ::sumAvg: 4.865 atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 4.865 atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } ::sumAvg: 4.6 atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 4.365 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 4.365 atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 3.49 atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } :: atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 2.83 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 3.9 atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } :: atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 4.755 atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 506 43G-H N 7.891 ambi=1 { N:108.207 } ::sumAvg: 4.685 atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } ::sumAvg: 3.645 atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } :: atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 2.755 atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } atom: 455 39L-HA A 3.956 ambi=1 { CA:58.131 } ::sumAvg: 4.39 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } ::sumAvg: 4.31 atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } :: atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } ::sumAvg: 4.31 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } ::sumAvg: 4.145 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } :: atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } ::sumAvg: 4.145 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } ::sumAvg: 4.715 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } ::sumAvg: 3.595 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } ::sumAvg: 4.7 atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } :: atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } ::sumAvg: 4.7 atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } ::sumAvg: 2.8 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } ::sumAvg: 4.55 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } ::sumAvg: 3.435 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } ::sumAvg: 4.56 atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } ::sumAvg: 4.75 atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 456 39L-HB2 B 1.347 ambi=2 { CB:40.133 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 457 39L-HB3 B 1.69 ambi=2 { CB:40.133 } ::sumAvg: 4.75 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } ::sumAvg: 4.66 atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } ::sumAvg: 4.66 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.91 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 4.2 atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 3.8 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 458 39L-HG G 1.839 ambi=1 { CG:27.593 } ::sumAvg: 4.755 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 468 40M-H N 8.535 ambi=1 { N:121.675 } ::sumAvg: 4.575 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.895 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.325 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } ::sumAvg: 4.88 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } ::sumAvg: 3.97 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } ::sumAvg: 4.845 atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 4.845 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } ::sumAvg: 3.065 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } ::sumAvg: 2.805 atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } :: atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } ::sumAvg: 2.805 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } ::sumAvg: 4.845 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 4.99 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 3.06 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 4.385 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 3.315 atom: 459 39L-HD1 D1 0.759 ambi=2 { CD1:25.778 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } :: atom: 460 39L-HD2 D2 0.763 ambi=2 { CD2:23.7 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } ::sumAvg: 4.605 atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } ::sumAvg: 4.045 atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } atom: 469 40M-HA A 4.359 ambi=1 { CA:59.081 } ::sumAvg: 4.045 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 480 41M-HA A 4.29 ambi=1 { CA:57.999 } ::sumAvg: 4.2 atom: 480 41M-HA A 4.29 ambi=1 { CA:57.999 } atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } ::sumAvg: 4.2 atom: 471 40M-QB B 2.2575 ambi=2 { CB:31.992 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.47 atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } :: atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } ::sumAvg: 4.925 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 479 41M-H N 8.228 ambi=1 { N:118.534 } ::sumAvg: 4.5 atom: 481 41M-QB B 2.191 ambi=2 { CB:32.609 } atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } ::sumAvg: 4.55 atom: 481 41M-QB B 2.191 ambi=2 { CB:32.609 } atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } :: atom: 481 41M-QB B 2.191 ambi=2 { CB:32.609 } atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } ::sumAvg: 4.205 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 481 41M-QB B 2.191 ambi=2 { CB:32.609 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 481 41M-QB B 2.191 ambi=2 { CB:32.609 } ::sumAvg: 4.205 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } ::sumAvg: 3.67 atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 3.67 atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } :: atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 3.91 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 2.165 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } ::sumAvg: 3.54 atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } ::sumAvg: 3.54 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } ::sumAvg: 4.04 atom: 483 41M-QG G 2.736 ambi=2 { CG:31.984 } atom: 506 43G-H N 7.891 ambi=1 { N:108.207 } ::sumAvg: 4.5 atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } :: atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.64 atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } :: atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.76 atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.795 atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 490 42R-H N 7.355 ambi=1 { N:117.164 } ::sumAvg: 4.9 atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } ::sumAvg: 3.83 atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } :: atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } ::sumAvg: 4.465 atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } ::sumAvg: 4.62 atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } ::sumAvg: 4.62 atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 491 42R-HA A 4.517 ambi=1 { CA:54.857 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } ::sumAvg: 4.845 atom: 492 42R-HB2 B 2.254 ambi=2 { CB:30.349 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } :: atom: 493 42R-HB3 B 1.571 ambi=2 { CB:30.349 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } ::sumAvg: 3.405 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 498 42R-HE E 7.425 ambi=1 { NE:85.135 } ::sumAvg: 3.005 atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 494 42R-HG2 G 1.716 ambi=2 { CG:27.829 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 495 42R-HG3 G 1.699 ambi=2 { CG:27.829 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } ::sumAvg: 3.965 atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 496 42R-HD2 D 3.184 ambi=2 { CD:43.198 } :: atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 497 42R-HD3 D 3.078 ambi=2 { CD:43.198 } ::sumAvg: 4.045 atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } :: atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } ::sumAvg: 4.505 atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } :: atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } ::sumAvg: 4.505 atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } :: atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } ::sumAvg: 4.165 atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } :: atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } ::sumAvg: 4.165 atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 507 43G-HA2 A 4.023 ambi=2 { CA:46.206 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } :: atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 508 43G-HA3 A 3.822 ambi=2 { CA:46.206 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } ::sumAvg: 4.265 atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } atom: 512 44L-H N 7.88 ambi=1 { N:120.153 } ::sumAvg: 4.71 atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } ::sumAvg: 3.88 atom: 513 44L-HA A 4.665 ambi=1 { CA:53.087 } atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } ::sumAvg: 3.61 atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } :: atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } ::sumAvg: 4.44 atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } ::sumAvg: 4.86 atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } ::sumAvg: 4.86 atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } :: atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 4.91 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } :: atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } ::sumAvg: 4.91 atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 514 44L-HB2 B 1.03 ambi=2 { CB:44.999 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } :: atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 515 44L-HB3 B 1.538 ambi=2 { CB:44.999 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.27 atom: 516 44L-HG G 1.48 ambi=1 { CG:26.754 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } ::sumAvg: 4.93 atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } ::sumAvg: 3.495 atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } ::sumAvg: 4.77 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } ::sumAvg: 4.685 atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.485 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 517 44L-HD1 D1 0.79 ambi=2 { CD1:25.812 } :: atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 518 44L-HD2 D2 0.823 ambi=2 { CD2:23.174 } ::sumAvg: 4.485 atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } :: atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } ::sumAvg: 4.76 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } ::sumAvg: 3.455 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 526 45I-H N 7.645 ambi=1 { N:115.941 } ::sumAvg: 4.86 atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } ::sumAvg: 4.45 atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } ::sumAvg: 4.45 atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } ::sumAvg: 4.13 atom: 527 45I-HA A 4.642 ambi=1 { CA:57.842 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 4.785 atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } ::sumAvg: 4.385 atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } ::sumAvg: 3.88 atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 3.925 atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 528 45I-HB B 1.975 ambi=1 { CB:39.348 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 4.68 atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.285 atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } ::sumAvg: 2.84 atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } ::sumAvg: 4.78 atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } ::sumAvg: 4.78 atom: 553 47E-HB2 B 2.021 ambi=2 { CB:28.63 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 554 47E-HB3 B 1.951 ambi=2 { CB:28.63 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 553 47E-HB2 B 2.021 ambi=2 { CB:28.63 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } :: atom: 554 47E-HB3 B 1.951 ambi=2 { CB:28.63 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } ::sumAvg: 3.005 atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } ::sumAvg: 4.66 atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } ::sumAvg: 4.66 atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.225 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } ::sumAvg: 4.225 atom: 529 45I-HG12 G1 1.35 ambi=2 { CG1:26.257 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } :: atom: 530 45I-HG13 G1 1.186 ambi=2 { CG1:26.257 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 4.23 atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 531 45I-HG2 G2 0.929 ambi=1 { CG2:18.172 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 4.495 atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.235 atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } ::sumAvg: 4.595 atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } ::sumAvg: 3.62 atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 3.35 atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.305 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } ::sumAvg: 4.305 atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 532 45I-HD1 D1 0.875 ambi=1 { CD1:13.082 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 2.45 atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } ::sumAvg: 3.6 atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } ::sumAvg: 4.78 atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } ::sumAvg: 4.78 atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 2.725 atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 3.91 atom: 539 46P-HA A 3.394 ambi=1 { CA:66.263 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 4.83 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } ::sumAvg: 4.145 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } ::sumAvg: 3.97 atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } :: atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } ::sumAvg: 3.97 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.88 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } ::sumAvg: 3.71 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } :: atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } ::sumAvg: 3.71 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } ::sumAvg: 4.635 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.605 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 3.925 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 4.635 atom: 540 46P-HB2 B 1.02 ambi=2 { CB:30.28 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } :: atom: 541 46P-HB3 B 0.316 ambi=2 { CB:30.28 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 4.53 atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } ::sumAvg: 4.025 atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } :: atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } ::sumAvg: 4.025 atom: 542 46P-HG2 G 1.782 ambi=2 { CG:27.417 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 543 46P-HG3 G 1.225 ambi=2 { CG:27.417 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 4.935 atom: 553 47E-HB2 B 2.021 ambi=2 { CB:28.63 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 554 47E-HB3 B 1.951 ambi=2 { CB:28.63 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 553 47E-HB2 B 2.021 ambi=2 { CB:28.63 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } :: atom: 554 47E-HB3 B 1.951 ambi=2 { CB:28.63 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 4.785 atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } :: atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } ::sumAvg: 3.955 atom: 544 46P-HD2 D 3.811 ambi=2 { CD:50.249 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } :: atom: 545 46P-HD3 D 3.692 ambi=2 { CD:50.249 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 4.955 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 551 47E-H N 8.708 ambi=1 { N:112.294 } ::sumAvg: 4.62 atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.615 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } ::sumAvg: 4.615 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 552 47E-HA A 4.018 ambi=1 { CA:59.817 } ::sumAvg: 4.61 atom: 553 47E-HB2 B 2.021 ambi=2 { CB:28.63 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } :: atom: 554 47E-HB3 B 1.951 ambi=2 { CB:28.63 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 3.135 atom: 553 47E-HB2 B 2.021 ambi=2 { CB:28.63 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } :: atom: 554 47E-HB3 B 1.951 ambi=2 { CB:28.63 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.545 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 553 47E-HB2 B 2.021 ambi=2 { CB:28.63 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 554 47E-HB3 B 1.951 ambi=2 { CB:28.63 } ::sumAvg: 4.545 atom: 555 47E-HG2 G 2.483 ambi=2 { CG:37.631 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } :: atom: 556 47E-HG3 G 2.206 ambi=2 { CG:37.631 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 4.585 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 2.94 atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 4.905 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 3.98 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 562 48C-H N 7.827 ambi=1 { N:115.409 } ::sumAvg: 4.975 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 2.53 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 3.14 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.455 atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.455 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.28 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.28 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } ::sumAvg: 3.675 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } ::sumAvg: 3.13 atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } :: atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 3.13 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 949 81L-HG G 1.46 ambi=1 { CG:27.193 } ::sumAvg: 4.705 atom: 949 81L-HG G 1.46 ambi=1 { CG:27.193 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.705 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } ::sumAvg: 3.355 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 3.355 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } ::sumAvg: 3.42 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } ::sumAvg: 4.115 atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 4.115 atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } ::sumAvg: 3.44 atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 563 48C-HA A 4.851 ambi=1 { CA:58.467 } ::sumAvg: 3.44 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.925 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 4.3 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } ::sumAvg: 4.455 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } :: atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } ::sumAvg: 4.43 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } ::sumAvg: 3.78 atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 4.14 atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } ::sumAvg: 4.39 atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 564 48C-HB2 B 3.154 ambi=2 { CB:29.102 } :: atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 565 48C-HB3 B 3.393 ambi=2 { CB:29.102 } ::sumAvg: 4.39 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 4.88 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 4.91 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 4.975 atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } :: atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 4.075 atom: 949 81L-HG G 1.46 ambi=1 { CG:27.193 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 4.455 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 570 49C-H N 8.165 ambi=1 { N:117.46 } ::sumAvg: 3.63 atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 4.47 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 4.47 atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.8 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 3.835 atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } ::sumAvg: 4.66 atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } atom: 934 80V-H N 8.831 ambi=1 { N:122.494 } ::sumAvg: 4.905 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 3.985 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } ::sumAvg: 3.84 atom: 571 49C-HA A 5.538 ambi=1 { CA:58.529 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } ::sumAvg: 4.86 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 4.56 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.56 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } ::sumAvg: 4.885 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.885 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.36 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.36 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 3.485 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } ::sumAvg: 4.72 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.14 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.14 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.625 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } :: atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } ::sumAvg: 4.625 atom: 572 49C-HB2 B 3.155 ambi=2 { CB:32.891 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } :: atom: 573 49C-HB3 B 2.985 ambi=2 { CB:32.891 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } ::sumAvg: 4.82 atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 4.805 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 4.405 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 4.265 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 2.96 atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 4.64 atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } :: atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 4.22 atom: 949 81L-HG G 1.46 ambi=1 { CG:27.193 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 3.365 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 578 50A-H N 9.36 ambi=1 { N:123.56 } ::sumAvg: 3.95 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 4.615 atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 4.615 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 3.39 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } ::sumAvg: 4.47 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 3.785 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.365 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 4.365 atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } ::sumAvg: 4.725 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 579 50A-HA A 4.726 ambi=1 { CA:51.161 } ::sumAvg: 3.685 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } ::sumAvg: 4.14 atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } ::sumAvg: 4.14 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.585 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } ::sumAvg: 4.585 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.075 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 4.825 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } ::sumAvg: 4.67 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } ::sumAvg: 4.67 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.345 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } ::sumAvg: 4.345 atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } :: atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } ::sumAvg: 3.595 atom: 580 50A-HB B 1.435 ambi=1 { CB:22.94 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } ::sumAvg: 4.655 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } ::sumAvg: 4.955 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } ::sumAvg: 4.945 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 585 51V-H N 8.1 ambi=1 { N:118.193 } ::sumAvg: 4.735 atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.595 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } ::sumAvg: 4.595 atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 730 62I-HB B 1.434 ambi=1 { CB:40.139 } ::sumAvg: 4.51 atom: 730 62I-HB B 1.434 ambi=1 { CB:40.139 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } ::sumAvg: 4.51 atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } :: atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } ::sumAvg: 4.7 atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } :: atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } ::sumAvg: 4.7 atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } ::sumAvg: 4.94 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } ::sumAvg: 2.935 atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } :: atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } ::sumAvg: 4.71 atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } :: atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } atom: 586 51V-HA A 5.076 ambi=1 { CA:59.295 } ::sumAvg: 4.71 atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 4.565 atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 4.565 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 3.205 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 4.46 atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } :: atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 4.935 atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 4.935 atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 4.61 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 4.61 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 587 51V-HB B 1.33 ambi=1 { CB:33.39 } ::sumAvg: 4.695 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 3.16 atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 3.16 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.67 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.67 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.655 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } ::sumAvg: 4.58 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.92 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } :: atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } ::sumAvg: 4.33 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.33 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } ::sumAvg: 4.76 atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.76 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 3.8 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 3.8 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } ::sumAvg: 4.65 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 3.545 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 754 64W-HE3 E3 7.329 ambi=1 { CE3:119.357 } ::sumAvg: 3.715 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 3.405 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 3.465 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 3.86 atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.49 atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.925 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 912 78V-H N 8.553 ambi=1 { N:122.192 } ::sumAvg: 4.935 atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } :: atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } ::sumAvg: 4.525 atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } atom: 588 51V-HG1 G1 0.145 ambi=2 { CG1:20.876 } :: atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } atom: 589 51V-HG2 G2 -0.046 ambi=2 { CG2:21.09 } ::sumAvg: 4.525 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 4.79 atom: 730 62I-HB B 1.434 ambi=1 { CB:40.139 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 4.35 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 4.72 atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } :: atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 4.315 atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 4.855 atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } :: atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 3.655 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 596 52Y-H N 8.821 ambi=1 { N:121.58 } ::sumAvg: 3.67 atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } :: atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } ::sumAvg: 4.42 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 4.42 atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } ::sumAvg: 4.71 atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } ::sumAvg: 4.69 atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 4.69 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 4.64 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 3.25 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } ::sumAvg: 4.59 atom: 597 52Y-HA A 5.253 ambi=1 { CA:56.295 } atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } ::sumAvg: 4.795 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.42 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } ::sumAvg: 4.59 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.59 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 4.09 atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.09 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } :: atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } ::sumAvg: 3.2 atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 3.2 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } :: atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } ::sumAvg: 4.675 atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } :: atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.675 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 688 59K-HD2 D 0.98 ambi=2 { CD:29.351 } :: atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 689 59K-HD3 D 0.837 ambi=2 { CD:29.351 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 688 59K-HD2 D 0.98 ambi=2 { CD:29.351 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 689 59K-HD3 D 0.837 ambi=2 { CD:29.351 } ::sumAvg: 4.78 atom: 688 59K-HD2 D 0.98 ambi=2 { CD:29.351 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 689 59K-HD3 D 0.837 ambi=2 { CD:29.351 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 688 59K-HD2 D 0.98 ambi=2 { CD:29.351 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } :: atom: 689 59K-HD3 D 0.837 ambi=2 { CD:29.351 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.78 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } ::sumAvg: 3.34 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } ::sumAvg: 4.465 atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.465 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } :: atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } ::sumAvg: 4.835 atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.835 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 718 61P-HB3 B 1.875 ambi=2 { CB:32.725 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 717 61P-HB2 B 2.32 ambi=2 { CB:32.725 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 718 61P-HB3 B 1.875 ambi=2 { CB:32.725 } ::sumAvg: 4.435 atom: 718 61P-HB3 B 1.875 ambi=2 { CB:32.725 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 717 61P-HB2 B 2.32 ambi=2 { CB:32.725 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } :: atom: 718 61P-HB3 B 1.875 ambi=2 { CB:32.725 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.435 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } ::sumAvg: 4.53 atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } :: atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.53 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } ::sumAvg: 3.595 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } ::sumAvg: 4.315 atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.315 atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } :: atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } ::sumAvg: 4.885 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 598 52Y-HB2 B 2.63 ambi=2 { CB:41.617 } :: atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 599 52Y-HB3 B 2.811 ambi=2 { CB:41.617 } ::sumAvg: 4.885 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.04 atom: 688 59K-HD2 D 0.98 ambi=2 { CD:29.351 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } :: atom: 689 59K-HD3 D 0.837 ambi=2 { CD:29.351 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 3.64 atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } :: atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.355 atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } :: atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 3.405 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.315 atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } :: atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } atom: 600 52Y-QD D 6.595 ambi=3 { CD1:133.6 } ::sumAvg: 4.335 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.87 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.79 atom: 630 54I-HB B 1.733 ambi=1 { CB:37.715 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.855 atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.625 atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.25 atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 3.95 atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } :: atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 2.44 atom: 688 59K-HD2 D 0.98 ambi=2 { CD:29.351 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } :: atom: 689 59K-HD3 D 0.837 ambi=2 { CD:29.351 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 3.12 atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } :: atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 2.55 atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } :: atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 3.02 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.52 atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 602 52Y-QE E 6.346 ambi=3 { CE1:117.808 } ::sumAvg: 4.835 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } ::sumAvg: 4.775 atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } ::sumAvg: 4.815 atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } ::sumAvg: 4.715 atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } ::sumAvg: 3.35 atom: 730 62I-HB B 1.434 ambi=1 { CB:40.139 } atom: 612 53R-H N 8.955 ambi=1 { N:118.371 } ::sumAvg: 4.945 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } ::sumAvg: 4.455 atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } :: atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } ::sumAvg: 4.455 atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } :: atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } ::sumAvg: 3.565 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } ::sumAvg: 4.85 atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } ::sumAvg: 4.85 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } ::sumAvg: 4.245 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } ::sumAvg: 3.33 atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } :: atom: 613 53R-HA A 5.117 ambi=1 { CA:53.658 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } ::sumAvg: 4.2 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 3.705 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.905 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } :: atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } ::sumAvg: 4.905 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } ::sumAvg: 2.565 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } :: atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } ::sumAvg: 4.055 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 4.445 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } ::sumAvg: 4.445 atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } :: atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } :: atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } ::sumAvg: 4.72 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } ::sumAvg: 2.31 atom: 614 53R-HB2 B 1.7 ambi=2 { CB:33.59 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } :: atom: 615 53R-HB3 B 2.04 ambi=2 { CB:33.59 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 4.525 atom: 616 53R-HG2 G 1.679 ambi=2 { CG:26.762 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } :: atom: 617 53R-HG3 G 1.518 ambi=2 { CG:26.762 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 2.97 atom: 616 53R-HG2 G 1.679 ambi=2 { CG:26.762 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } :: atom: 617 53R-HG3 G 1.518 ambi=2 { CG:26.762 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.195 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 616 53R-HG2 G 1.679 ambi=2 { CG:26.762 } :: atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 617 53R-HG3 G 1.518 ambi=2 { CG:26.762 } ::sumAvg: 4.195 atom: 616 53R-HG2 G 1.679 ambi=2 { CG:26.762 } atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } :: atom: 617 53R-HG3 G 1.518 ambi=2 { CG:26.762 } atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } ::sumAvg: 4.95 atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 616 53R-HG2 G 1.679 ambi=2 { CG:26.762 } :: atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 617 53R-HG3 G 1.518 ambi=2 { CG:26.762 } ::sumAvg: 4.95 atom: 616 53R-HG2 G 1.679 ambi=2 { CG:26.762 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } ::sumAvg: 4.32 atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } ::sumAvg: 4.815 atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } :: atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } ::sumAvg: 4.365 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } ::sumAvg: 4.76 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } ::sumAvg: 2.9 atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } :: atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 3.665 atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } ::sumAvg: 4.505 atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } :: atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } ::sumAvg: 4.925 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 618 53R-HD2 D 3.188 ambi=2 { CD:43.768 } :: atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 619 53R-HD3 D 2.973 ambi=2 { CD:43.768 } ::sumAvg: 4.925 atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } :: atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 4.2 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 3.88 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 3.91 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 4.6 atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 4.77 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 620 53R-HE E 7.546 ambi=1 { NE:83.74 } ::sumAvg: 4.615 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 628 54I-H N 9.338 ambi=1 { N:123.486 } ::sumAvg: 2.94 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 628 54I-H N 9.338 ambi=1 { N:123.486 } ::sumAvg: 4.85 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 630 54I-HB B 1.733 ambi=1 { CB:37.715 } ::sumAvg: 3.04 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } :: atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } ::sumAvg: 2.54 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } ::sumAvg: 2.415 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } ::sumAvg: 3.855 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } ::sumAvg: 2.125 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } :: atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } ::sumAvg: 4.57 atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } :: atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.57 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } ::sumAvg: 4.97 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } ::sumAvg: 4.225 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 682 59K-H N 8.585 ambi=1 { N:123.389 } ::sumAvg: 4.66 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 2.52 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } :: atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } ::sumAvg: 4.855 atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 4.855 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } :: atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } ::sumAvg: 3.79 atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } :: atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } ::sumAvg: 3.79 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } ::sumAvg: 3.375 atom: 629 54I-HA A 4.868 ambi=1 { CA:59.844 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 4.815 atom: 630 54I-HB B 1.733 ambi=1 { CB:37.715 } atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } ::sumAvg: 4.88 atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 630 54I-HB B 1.733 ambi=1 { CB:37.715 } ::sumAvg: 4.88 atom: 630 54I-HB B 1.733 ambi=1 { CB:37.715 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 3.7 atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } :: atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } ::sumAvg: 4.47 atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } atom: 682 59K-H N 8.585 ambi=1 { N:123.389 } :: atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 682 59K-H N 8.585 ambi=1 { N:123.389 } ::sumAvg: 4.765 atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } :: atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 2.96 atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } ::sumAvg: 4.265 atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } :: atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } :: atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } :: atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } ::sumAvg: 3.475 atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } :: atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } :: atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } :: atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } ::sumAvg: 4.18 atom: 631 54I-HG12 G1 1.216 ambi=2 { CG1:27.362 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } :: atom: 632 54I-HG13 G1 0.871 ambi=2 { CG1:27.362 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 2.59 atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } :: atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } ::sumAvg: 4.97 atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } :: atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } ::sumAvg: 4.97 atom: 658 56D-HA A 4.307 ambi=1 { CA:55.657 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } ::sumAvg: 4.935 atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } ::sumAvg: 4.07 atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } ::sumAvg: 4.07 atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } :: atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } ::sumAvg: 4.8 atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } :: atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } ::sumAvg: 4.8 atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } ::sumAvg: 3.76 atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } :: atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } ::sumAvg: 4.68 atom: 633 54I-HG2 G2 0.635 ambi=1 { CG2:16.993 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 4.92 atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } :: atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } ::sumAvg: 4.6 atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } :: atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } ::sumAvg: 4.6 atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } ::sumAvg: 3.215 atom: 688 59K-HD2 D 0.98 ambi=2 { CD:29.351 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } :: atom: 689 59K-HD3 D 0.837 ambi=2 { CD:29.351 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } ::sumAvg: 4.61 atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } :: atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } ::sumAvg: 2.93 atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } :: atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } ::sumAvg: 2.93 atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } :: atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } ::sumAvg: 4.285 atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } :: atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } ::sumAvg: 4.285 atom: 634 54I-HD1 D1 0.424 ambi=1 { CD1:11.704 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } ::sumAvg: 3.795 atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } ::sumAvg: 4.735 atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } :: atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } ::sumAvg: 3.715 atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 642 55Q-H N 8.978 ambi=1 { N:128.571 } ::sumAvg: 4.91 atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 648 55Q-HE21 E2 7.657 ambi=1 { NE2:112.459 } ::sumAvg: 4.515 atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } :: atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } ::sumAvg: 4.68 atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } ::sumAvg: 3.715 atom: 643 55Q-HA A 4.646 ambi=1 { CA:54.8 } atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } ::sumAvg: 4.385 atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } :: atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } ::sumAvg: 4.495 atom: 644 55Q-HB2 B 1.885 ambi=2 { CB:31.822 } atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } :: atom: 645 55Q-HB3 B 1.804 ambi=2 { CB:31.822 } atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } ::sumAvg: 4.38 atom: 646 55Q-HG2 G 2.279 ambi=2 { CG:33.645 } atom: 658 56D-HA A 4.307 ambi=1 { CA:55.657 } :: atom: 647 55Q-HG3 G 2.226 ambi=2 { CG:33.645 } atom: 658 56D-HA A 4.307 ambi=1 { CA:55.657 } ::sumAvg: 4.535 atom: 658 56D-HA A 4.307 ambi=1 { CA:55.657 } atom: 646 55Q-HG2 G 2.279 ambi=2 { CG:33.645 } :: atom: 658 56D-HA A 4.307 ambi=1 { CA:55.657 } atom: 647 55Q-HG3 G 2.226 ambi=2 { CG:33.645 } ::sumAvg: 4.535 atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 646 55Q-HG2 G 2.279 ambi=2 { CG:33.645 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 646 55Q-HG2 G 2.279 ambi=2 { CG:33.645 } :: atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 647 55Q-HG3 G 2.226 ambi=2 { CG:33.645 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 647 55Q-HG3 G 2.226 ambi=2 { CG:33.645 } ::sumAvg: 3.135 atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } atom: 658 56D-HA A 4.307 ambi=1 { CA:55.657 } ::sumAvg: 4.35 atom: 658 56D-HA A 4.307 ambi=1 { CA:55.657 } atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } ::sumAvg: 4.405 atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } :: atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } ::sumAvg: 4.81 atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } :: atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } :: atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } :: atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } ::sumAvg: 4.81 atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 671 58E-H N 7.826 ambi=1 { N:120.454 } ::sumAvg: 3.765 atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } :: atom: 659 56D-HB2 B 2.723 ambi=2 { CB:39.421 } atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } :: atom: 660 56D-HB3 B 2.953 ambi=2 { CB:39.421 } atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } ::sumAvg: 3.92 atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } :: atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } atom: 665 57G-H N 8.291 ambi=1 { N:102.77 } ::sumAvg: 4.985 atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } :: atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } ::sumAvg: 4.505 atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } atom: 666 57G-HA2 A 4.104 ambi=2 { CA:45.457 } :: atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } atom: 667 57G-HA3 A 3.472 ambi=2 { CA:45.457 } ::sumAvg: 4.505 atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } atom: 686 59K-HG2 G 1.039 ambi=2 { CG:25.145 } :: atom: 672 58E-HA A 4.552 ambi=1 { CA:54.379 } atom: 687 59K-HG3 G 0.646 ambi=2 { CG:25.145 } ::sumAvg: 3.88 atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } :: atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 4.93 atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 673 58E-HB2 B 2.026 ambi=2 { CB:31.977 } :: atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 674 58E-HB3 B 1.955 ambi=2 { CB:31.977 } ::sumAvg: 4.93 atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } :: atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } ::sumAvg: 4.995 atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } :: atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 4.995 atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } ::sumAvg: 4.415 atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 4.415 atom: 703 60K-QG G 1.429 ambi=2 { CG:24.255 } atom: 683 59K-HA A 4.322 ambi=1 { CA:56.725 } ::sumAvg: 4.73 atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } :: atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } :: atom: 690 59K-HE2 E 2.11 ambi=2 { CE:41.052 } atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } :: atom: 691 59K-HE3 E 2.043 ambi=2 { CE:41.052 } atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } ::sumAvg: 4.285 atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } ::sumAvg: 4.615 atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 684 59K-HB2 B 1.415 ambi=2 { CB:32.705 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 685 59K-HB3 B 1.149 ambi=2 { CB:32.705 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } ::sumAvg: 4.61 atom: 705 60K-HD2 D 1.687 ambi=2 { CD:28.771 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } :: atom: 706 60K-HD3 D 1.615 ambi=2 { CD:28.771 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } ::sumAvg: 4.53 atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } :: atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } atom: 699 60K-H N 9.339 ambi=1 { N:126.747 } ::sumAvg: 4.415 atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 707 60K-HE2 E 2.971 ambi=2 { CE:42.321 } :: atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 708 60K-HE3 E 2.912 ambi=2 { CE:42.321 } ::sumAvg: 4.725 atom: 707 60K-HE2 E 2.971 ambi=2 { CE:42.321 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } :: atom: 708 60K-HE3 E 2.912 ambi=2 { CE:42.321 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } ::sumAvg: 4.725 atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } ::sumAvg: 4.495 atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } ::sumAvg: 4.495 atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 719 61P-HG2 G 2.124 ambi=2 { CG:27.435 } :: atom: 700 60K-HA A 5.01 ambi=1 { CA:51.925 } atom: 720 61P-HG3 G 2 ambi=2 { CG:27.435 } ::sumAvg: 4.245 atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 707 60K-HE2 E 2.971 ambi=2 { CE:42.321 } :: atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 708 60K-HE3 E 2.912 ambi=2 { CE:42.321 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 707 60K-HE2 E 2.971 ambi=2 { CE:42.321 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 708 60K-HE3 E 2.912 ambi=2 { CE:42.321 } ::sumAvg: 4.28 atom: 707 60K-HE2 E 2.971 ambi=2 { CE:42.321 } atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } :: atom: 708 60K-HE3 E 2.912 ambi=2 { CE:42.321 } atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } :: atom: 707 60K-HE2 E 2.971 ambi=2 { CE:42.321 } atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } :: atom: 708 60K-HE3 E 2.912 ambi=2 { CE:42.321 } atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } ::sumAvg: 4.28 atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } ::sumAvg: 4.205 atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } :: atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } ::sumAvg: 4.3 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 701 60K-HB2 B 1.852 ambi=2 { CB:32.916 } :: atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 702 60K-HB3 B 1.811 ambi=2 { CB:32.916 } ::sumAvg: 4.3 atom: 703 60K-QG G 1.429 ambi=2 { CG:24.255 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 703 60K-QG G 1.429 ambi=2 { CG:24.255 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } ::sumAvg: 3.525 atom: 705 60K-HD2 D 1.687 ambi=2 { CD:28.771 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 705 60K-HD2 D 1.687 ambi=2 { CD:28.771 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } :: atom: 706 60K-HD3 D 1.615 ambi=2 { CD:28.771 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 706 60K-HD3 D 1.615 ambi=2 { CD:28.771 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } ::sumAvg: 4.64 atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } :: atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } ::sumAvg: 3.66 atom: 721 61P-HD2 D 3.9 ambi=2 { CD:51.309 } atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } :: atom: 722 61P-HD3 D 3.826 ambi=2 { CD:51.309 } atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } ::sumAvg: 3.66 atom: 730 62I-HB B 1.434 ambi=1 { CB:40.139 } atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } ::sumAvg: 4.585 atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } ::sumAvg: 4.885 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 716 61P-HA A 4.502 ambi=1 { CA:63.189 } ::sumAvg: 4.885 atom: 717 61P-HB2 B 2.32 ambi=2 { CB:32.725 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } :: atom: 718 61P-HB3 B 1.875 ambi=2 { CB:32.725 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } ::sumAvg: 4.465 atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 717 61P-HB2 B 2.32 ambi=2 { CB:32.725 } :: atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 718 61P-HB3 B 1.875 ambi=2 { CB:32.725 } ::sumAvg: 4.465 atom: 719 61P-HG2 G 2.124 ambi=2 { CG:27.435 } atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } :: atom: 720 61P-HG3 G 2 ambi=2 { CG:27.435 } atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } ::sumAvg: 4.9 atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 728 62I-H N 8.068 ambi=1 { N:122.723 } ::sumAvg: 4.93 atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 4.39 atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } ::sumAvg: 4.39 atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } :: atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } ::sumAvg: 4.825 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 729 62I-HA A 4.347 ambi=1 { CA:57.629 } ::sumAvg: 4.825 atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } atom: 742 63G-H N 8.536 ambi=1 { N:111.926 } ::sumAvg: 4.28 atom: 731 62I-QG1 G1 1.258 ambi=2 { CG1:26.533 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } ::sumAvg: 3.255 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } :: atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 3.865 atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } ::sumAvg: 3.865 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 748 64W-H N 8.971 ambi=1 { N:125.24 } ::sumAvg: 4.62 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 4.13 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } ::sumAvg: 4.13 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } ::sumAvg: 4.08 atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } ::sumAvg: 2.675 atom: 733 62I-HG2 G2 0.738 ambi=1 { CG2:17.448 } atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } ::sumAvg: 4.065 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } ::sumAvg: 4.865 atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } ::sumAvg: 4.865 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } :: atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } ::sumAvg: 4.195 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } ::sumAvg: 4.39 atom: 734 62I-HD1 D1 0.723 ambi=1 { CD1:13.103 } atom: 900 77H-H N 9.181 ambi=1 { N:120.029 } ::sumAvg: 4.965 atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } atom: 742 63G-H N 8.536 ambi=1 { N:111.926 } ::sumAvg: 3.825 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 742 63G-H N 8.536 ambi=1 { N:111.926 } ::sumAvg: 4.065 atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 4.37 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 4.37 atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } ::sumAvg: 4.555 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } :: atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } ::sumAvg: 4.555 atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } ::sumAvg: 4.48 atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } ::sumAvg: 3.47 atom: 743 63G-HA2 A 4.109 ambi=2 { CA:45.451 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } :: atom: 744 63G-HA3 A 3.771 ambi=2 { CA:45.451 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } ::sumAvg: 3.495 atom: 770 65D-HB2 B 2.926 ambi=2 { CB:40.309 } atom: 748 64W-H N 8.971 ambi=1 { N:125.24 } :: atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } atom: 748 64W-H N 8.971 ambi=1 { N:125.24 } ::sumAvg: 4.955 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 752 64W-HD1 D1 7.494 ambi=1 { CD1:127.977 } ::sumAvg: 4.215 atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } ::sumAvg: 4.695 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 749 64W-HA A 4.247 ambi=1 { CA:60.572 } ::sumAvg: 4.695 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.765 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } ::sumAvg: 3.015 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } ::sumAvg: 4.37 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } ::sumAvg: 4.37 atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } :: atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } ::sumAvg: 4.72 atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } atom: 750 64W-HB2 B 3.236 ambi=2 { CB:30.666 } :: atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } atom: 751 64W-HB3 B 3.161 ambi=2 { CB:30.666 } ::sumAvg: 4.72 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.855 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 753 64W-HE1 E1 9.807 ambi=1 { NE1:129.161 } ::sumAvg: 4.2 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 755 64W-HZ2 Z2 7.217 ambi=1 { CZ2:115.72 } ::sumAvg: 2.985 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 756 64W-HZ3 Z3 6.78 ambi=1 { CZ3:120.832 } ::sumAvg: 4.515 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 757 64W-HH2 H2 6.696 ambi=1 { CH2:122.561 } ::sumAvg: 3.02 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } ::sumAvg: 2.895 atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } ::sumAvg: 4.985 atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } atom: 768 65D-H N 8.602 ambi=1 { N:114.142 } ::sumAvg: 4.92 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 776 66T-H N 7.277 ambi=1 { N:115.433 } ::sumAvg: 3.245 atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } ::sumAvg: 4.78 atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } atom: 769 65D-HA A 4.915 ambi=1 { CA:54.044 } ::sumAvg: 4.78 atom: 770 65D-HB2 B 2.926 ambi=2 { CB:40.309 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } :: atom: 771 65D-HB3 B 2.674 ambi=2 { CB:40.309 } atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } ::sumAvg: 4.835 atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } ::sumAvg: 4.47 atom: 777 66T-HA A 3.893 ambi=1 { CA:63.213 } atom: 823 70W-HZ3 Z3 7.2 ambi=1 { CZ3:121.377 } ::sumAvg: 4.135 atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } ::sumAvg: 4.925 atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } ::sumAvg: 4.925 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 778 66T-HB B 3.963 ambi=1 { CB:70.027 } ::sumAvg: 3.535 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } ::sumAvg: 4.02 atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 4.02 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 3.64 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 3.64 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.67 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 4.18 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } ::sumAvg: 4.85 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.185 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 2.845 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 823 70W-HZ3 Z3 7.2 ambi=1 { CZ3:121.377 } ::sumAvg: 2.93 atom: 779 66T-HG2 G2 1.272 ambi=1 { CG2:21.748 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.72 atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 785 67D-H N 7.509 ambi=1 { N:125.656 } ::sumAvg: 4.33 atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } ::sumAvg: 4.435 atom: 786 67D-HA A 4.193 ambi=1 { CA:54.518 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.71 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 3.69 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 3.14 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } ::sumAvg: 4.985 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 4.985 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 3.585 atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } :: atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } ::sumAvg: 3.585 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 820 70W-HE1 E1 10.174 ambi=1 { NE1:128.448 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 820 70W-HE1 E1 10.174 ambi=1 { NE1:128.448 } ::sumAvg: 3.48 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } ::sumAvg: 4.31 atom: 787 67D-HB2 B 1.678 ambi=2 { CB:41.684 } atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } :: atom: 788 67D-HB3 B 1.9 ambi=2 { CB:41.684 } atom: 824 70W-HH2 H2 7.289 ambi=1 { CH2:124.947 } ::sumAvg: 4.96 atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } :: atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 793 68I-H N 9.133 ambi=1 { N:128.964 } ::sumAvg: 4.845 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 3.735 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } ::sumAvg: 4.615 atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } ::sumAvg: 4.615 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 3.44 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } ::sumAvg: 3.205 atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } ::sumAvg: 3.515 atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } ::sumAvg: 4.585 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 794 68I-HA A 3.847 ambi=1 { CA:61.903 } ::sumAvg: 4.585 atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.065 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 795 68I-HB B 1.407 ambi=1 { CB:39.726 } ::sumAvg: 4.62 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.31 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.27 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } ::sumAvg: 3.6 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } :: atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } ::sumAvg: 3.6 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } :: atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } ::sumAvg: 4.3 atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } :: atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } ::sumAvg: 4.865 atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 796 68I-HG12 G1 1.392 ambi=2 { CG1:29.375 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 797 68I-HG13 G1 1.373 ambi=2 { CG1:29.375 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } ::sumAvg: 4.68 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.345 atom: 798 68I-HG2 G2 1.044 ambi=1 { CG2:19.983 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.675 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.735 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.085 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } ::sumAvg: 3.835 atom: 799 68I-HD1 D1 0.801 ambi=1 { CD1:15.301 } atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } ::sumAvg: 4.535 atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 807 69S-H N 8.991 ambi=1 { N:118.157 } ::sumAvg: 4.845 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } ::sumAvg: 4.77 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } ::sumAvg: 4.775 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 3.72 atom: 808 69S-HA A 3.891 ambi=1 { CA:61.166 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 3.685 atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } :: atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.09 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 809 69S-HB2 B 3.911 ambi=2 { CB:63.128 } :: atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 810 69S-HB3 B 3.525 ambi=2 { CB:63.128 } ::sumAvg: 4.86 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 2.87 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.645 atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 3.935 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 815 70W-H N 7.966 ambi=1 { N:124.315 } ::sumAvg: 4.93 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 2.485 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 819 70W-HD1 D1 7.237 ambi=1 { CD1:125.757 } ::sumAvg: 2.29 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 820 70W-HE1 E1 10.174 ambi=1 { NE1:128.448 } ::sumAvg: 4.77 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 3.415 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } ::sumAvg: 4.91 atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } ::sumAvg: 4.91 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } :: atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } ::sumAvg: 4.775 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } ::sumAvg: 4.775 atom: 816 70W-HA A 4.758 ambi=1 { CA:57.611 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 3.83 atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } ::sumAvg: 4.6 atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 4.6 atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } :: atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } ::sumAvg: 4.84 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 4.84 atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } :: atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } ::sumAvg: 2.925 atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 2.925 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 817 70W-HB2 B 3.273 ambi=2 { CB:28.548 } :: atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 818 70W-HB3 B 3.449 ambi=2 { CB:28.548 } ::sumAvg: 3.6 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 821 70W-HE3 E3 7.689 ambi=1 { CE3:121.303 } ::sumAvg: 4.7 atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } atom: 835 71L-H N 7.877 ambi=1 { N:118.855 } ::sumAvg: 4.495 atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } ::sumAvg: 4.875 atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } ::sumAvg: 4.875 atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } ::sumAvg: 4.345 atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 3.305 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } ::sumAvg: 3.305 atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 836 71L-HA A 4.496 ambi=1 { CA:53.183 } ::sumAvg: 3.02 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 3.82 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } ::sumAvg: 4.55 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } ::sumAvg: 4.15 atom: 837 71L-HB2 B 1.803 ambi=2 { CB:41.868 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } :: atom: 838 71L-HB3 B 1.761 ambi=2 { CB:41.868 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } ::sumAvg: 3.745 atom: 839 71L-HG G 1.559 ambi=1 { CG:27.225 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 4.77 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 4.585 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 3.595 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } :: atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } ::sumAvg: 3.595 atom: 840 71L-HD1 D1 0.872 ambi=2 { CD1:27.215 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } :: atom: 841 71L-HD2 D2 0.835 ambi=2 { CD2:23.277 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } ::sumAvg: 3.55 atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 849 72T-H N 7.046 ambi=1 { N:113.756 } ::sumAvg: 4.465 atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } ::sumAvg: 4.415 atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 850 72T-HA A 3.518 ambi=1 { CA:65.579 } ::sumAvg: 4.975 atom: 852 72T-HG2 G2 1.263 ambi=1 { CG2:22.046 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } ::sumAvg: 4.49 atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 858 73G-H N 9.043 ambi=1 { N:114.559 } ::sumAvg: 4.735 atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } ::sumAvg: 4.39 atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } ::sumAvg: 4.39 atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } :: atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } ::sumAvg: 4.145 atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 859 73G-HA2 A 3.904 ambi=2 { CA:45.738 } :: atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } atom: 860 73G-HA3 A 4.289 ambi=2 { CA:45.738 } ::sumAvg: 4.145 atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 864 74E-H N 8.317 ambi=1 { N:119.115 } ::sumAvg: 2.92 atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 2.48 atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } ::sumAvg: 2.35 atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.435 atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } ::sumAvg: 4.435 atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } :: atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } ::sumAvg: 4.59 atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 879 75E-HG2 G 2.41 ambi=2 { CG:36.885 } :: atom: 865 74E-HA A 4.686 ambi=1 { CA:55.169 } atom: 880 75E-HG3 G 2.094 ambi=2 { CG:36.885 } ::sumAvg: 4.34 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.445 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } ::sumAvg: 4.225 atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 4.225 atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } :: atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } ::sumAvg: 3.205 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 866 74E-HB2 B 2.136 ambi=2 { CB:30.446 } :: atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 867 74E-HB3 B 2.152 ambi=2 { CB:30.446 } ::sumAvg: 3.205 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 868 74E-QG G 2.215 ambi=2 { CG:35.283 } ::sumAvg: 4.22 atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } ::sumAvg: 4.935 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 875 75E-H N 8.461 ambi=1 { N:118.216 } ::sumAvg: 4.16 atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } :: atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.525 atom: 890 76L-HG G 1.541 ambi=1 { CG:26.99 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 3.5 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 876 75E-HA A 5.174 ambi=1 { CA:54.552 } ::sumAvg: 4.13 atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } :: atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } ::sumAvg: 4.665 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 877 75E-HB2 B 2.096 ambi=2 { CB:31.572 } :: atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 878 75E-HB3 B 1.868 ambi=2 { CB:31.572 } ::sumAvg: 4.665 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } :: atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } ::sumAvg: 4.645 atom: 887 76L-HA A 4.962 ambi=1 { CA:52.95 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 3.81 atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } :: atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } ::sumAvg: 4.555 atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 888 76L-HB2 B 1.233 ambi=2 { CB:44.692 } :: atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 889 76L-HB3 B 1.521 ambi=2 { CB:44.692 } ::sumAvg: 4.555 atom: 891 76L-HD1 D1 0.665 ambi=2 { CD1:25.055 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } :: atom: 892 76L-HD2 D2 0.712 ambi=2 { CD2:23.709 } atom: 904 77H-HD2 D2 6.955 ambi=1 { CD2:118.364 } ::sumAvg: 4.995 atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } ::sumAvg: 4.97 atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } atom: 914 78V-HB B 2.013 ambi=1 { CB:33.829 } ::sumAvg: 4.605 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 901 77H-HA A 5.078 ambi=1 { CA:54.396 } ::sumAvg: 3.585 atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } :: atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } atom: 905 77H-HE1 E1 8.019 ambi=1 { CE1:136.223 } ::sumAvg: 4.74 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 902 77H-HB2 B 2.682 ambi=2 { CB:30.441 } :: atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 903 77H-HB3 B 1.83 ambi=2 { CB:30.441 } ::sumAvg: 4.83 atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } :: atom: 913 78V-HA A 4.993 ambi=1 { CA:60.845 } atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } ::sumAvg: 3.895 atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 3.51 atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } :: atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } :: atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } ::sumAvg: 4.575 atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } :: atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.575 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 915 78V-HG1 G1 0.99 ambi=2 { CG1:21.513 } :: atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 916 78V-HG2 G2 0.78 ambi=2 { CG2:21.866 } ::sumAvg: 4.415 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 923 79E-H N 9.145 ambi=1 { N:125.174 } ::sumAvg: 4.975 atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.345 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } ::sumAvg: 4.345 atom: 936 80V-HB B 2.071 ambi=1 { CB:32.474 } atom: 924 79E-HA A 4.977 ambi=1 { CA:53.453 } ::sumAvg: 4.715 atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } :: atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.695 atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } :: atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.54 atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } :: atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } :: atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } :: atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } ::sumAvg: 4.595 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 925 79E-HB2 B 2.024 ambi=2 { CB:33.759 } :: atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 926 79E-HB3 B 2.163 ambi=2 { CB:33.759 } ::sumAvg: 4.595 atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } :: atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } :: atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } :: atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } ::sumAvg: 4.405 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 927 79E-HG2 G 2.368 ambi=2 { CG:35.486 } :: atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 928 79E-HG3 G 2.241 ambi=2 { CG:35.486 } ::sumAvg: 4.405 atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } :: atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.52 atom: 949 81L-HG G 1.46 ambi=1 { CG:27.193 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 3.895 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } :: atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } ::sumAvg: 4.625 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } ::sumAvg: 4.625 atom: 935 80V-HA A 4.45 ambi=1 { CA:63.078 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } ::sumAvg: 4.5 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 946 81L-HA A 4.358 ambi=1 { CA:55.392 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 946 81L-HA A 4.358 ambi=1 { CA:55.392 } ::sumAvg: 3.87 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } ::sumAvg: 4.095 atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } :: atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.095 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } ::sumAvg: 2.86 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 960 82E-HA A 4.355 ambi=1 { CA:56.107 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 960 82E-HA A 4.355 ambi=1 { CA:56.107 } ::sumAvg: 3.79 atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 3.92 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } ::sumAvg: 3.805 atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 3.805 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 970 83N-H N 8.496 ambi=1 { N:119.027 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 970 83N-H N 8.496 ambi=1 { N:119.027 } ::sumAvg: 4.07 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } ::sumAvg: 3.39 atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } :: atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } :: atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } ::sumAvg: 4.685 atom: 937 80V-HG1 G1 1.091 ambi=2 { CG1:21.715 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } :: atom: 938 80V-HG2 G2 1.073 ambi=2 { CG2:22.211 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } ::sumAvg: 4.175 atom: 960 82E-HA A 4.355 ambi=1 { CA:56.107 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } ::sumAvg: 4.985 atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 945 81L-H N 8.707 ambi=1 { N:127.888 } ::sumAvg: 4.715 atom: 960 82E-HA A 4.355 ambi=1 { CA:56.107 } atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } :: atom: 960 82E-HA A 4.355 ambi=1 { CA:56.107 } atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } ::sumAvg: 4.57 atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 947 81L-HB2 B 1.643 ambi=2 { CB:42.389 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } :: atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 948 81L-HB3 B 1.487 ambi=2 { CB:42.389 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } ::sumAvg: 3.765 atom: 949 81L-HG G 1.46 ambi=1 { CG:27.193 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } ::sumAvg: 4.305 atom: 950 81L-HD1 D1 0.911 ambi=2 { CD1:25.518 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } :: atom: 951 81L-HD2 D2 0.909 ambi=2 { CD2:23.116 } atom: 959 82E-H N 8.389 ambi=1 { N:120.666 } ::sumAvg: 4.22 atom: 960 82E-HA A 4.355 ambi=1 { CA:56.107 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } ::sumAvg: 4.725 atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } ::sumAvg: 4.75 atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } :: atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } ::sumAvg: 4.75 atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } :: atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } ::sumAvg: 4.995 atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } :: atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } :: atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } :: atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } ::sumAvg: 4.995 atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } ::sumAvg: 3.535 atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 961 82E-HB2 B 2.075 ambi=2 { CB:30.144 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 962 82E-HB3 B 1.948 ambi=2 { CB:30.144 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } ::sumAvg: 4.18 atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } ::sumAvg: 4.18 atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } ::sumAvg: 4.34 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 963 82E-HG2 G 2.379 ambi=2 { CG:35.066 } :: atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 964 82E-HG3 G 2.326 ambi=2 { CG:35.066 } ::sumAvg: 4.34 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 970 83N-H N 8.496 ambi=1 { N:119.027 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 970 83N-H N 8.496 ambi=1 { N:119.027 } ::sumAvg: 4.165 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 971 83N-HA A 4.696 ambi=1 { CA:53.181 } ::sumAvg: 4.18 atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } :: atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } ::sumAvg: 3.755 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 972 83N-HB2 B 2.797 ambi=2 { CB:38.929 } :: atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 973 83N-HB3 B 2.753 ambi=2 { CB:38.929 } ::sumAvg: 3.755 atom: 998 85P-HD2 D 3.86 ambi=2 { CD:51.031 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } :: atom: 999 85P-HD3 D 3.694 ambi=2 { CD:51.031 } atom: 982 84V-H N 8.05 ambi=1 { N:121.763 } ::sumAvg: 3.815 atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } ::sumAvg: 4.3 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 994 85P-HB2 B 2.259 ambi=2 { CB:31.762 } :: atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 995 85P-HB3 B 1.975 ambi=2 { CB:31.762 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 994 85P-HB2 B 2.259 ambi=2 { CB:31.762 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 995 85P-HB3 B 1.975 ambi=2 { CB:31.762 } ::sumAvg: 4.895 atom: 994 85P-HB2 B 2.259 ambi=2 { CB:31.762 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 995 85P-HB3 B 1.975 ambi=2 { CB:31.762 } atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } :: atom: 994 85P-HB2 B 2.259 ambi=2 { CB:31.762 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } :: atom: 995 85P-HB3 B 1.975 ambi=2 { CB:31.762 } atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } ::sumAvg: 4.895 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 998 85P-HD2 D 3.86 ambi=2 { CD:51.031 } :: atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 999 85P-HD3 D 3.694 ambi=2 { CD:51.031 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 998 85P-HD2 D 3.86 ambi=2 { CD:51.031 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 999 85P-HD3 D 3.694 ambi=2 { CD:51.031 } ::sumAvg: 2.945 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 1005 86L-H N 7.951 ambi=1 { N:128.14 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 1005 86L-H N 7.951 ambi=1 { N:128.14 } ::sumAvg: 4.115 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } ::sumAvg: 4.155 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 1007 86L-QB B 1.58 ambi=2 { CB:43.397 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 1007 86L-QB B 1.58 ambi=2 { CB:43.397 } ::sumAvg: 4.07 atom: 985 84V-HG1 G1 0.987 ambi=2 { CG1:21.173 } atom: 1009 86L-HG G 1.673 ambi=1 { CG:27.217 } :: atom: 986 84V-HG2 G2 0.951 ambi=2 { CG2:20.562 } atom: 1009 86L-HG G 1.673 ambi=1 { CG:27.217 } ::sumAvg: 4.55 atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } atom: 1007 86L-QB B 1.58 ambi=2 { CB:43.397 } ::sumAvg: 4.17 atom: 1007 86L-QB B 1.58 ambi=2 { CB:43.397 } atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } ::sumAvg: 4.17 atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } atom: 1010 86L-HD1 D1 0.923 ambi=2 { CD1:25.282 } :: atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } atom: 1011 86L-HD2 D2 0.885 ambi=2 { CD2:23.678 } ::sumAvg: 4.52 atom: 1010 86L-HD1 D1 0.923 ambi=2 { CD1:25.282 } atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } :: atom: 1011 86L-HD2 D2 0.885 ambi=2 { CD2:23.678 } atom: 993 85P-HA A 4.438 ambi=1 { CA:63.457 } ::sumAvg: 4.52 atom: 994 85P-HB2 B 2.259 ambi=2 { CB:31.762 } atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } :: atom: 995 85P-HB3 B 1.975 ambi=2 { CB:31.762 } atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } ::sumAvg: 4.54 atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } atom: 994 85P-HB2 B 2.259 ambi=2 { CB:31.762 } :: atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } atom: 995 85P-HB3 B 1.975 ambi=2 { CB:31.762 } ::sumAvg: 4.54 atom: 996 85P-HG2 G 2.064 ambi=2 { CG:27.401 } atom: 1005 86L-H N 7.951 ambi=1 { N:128.14 } :: atom: 997 85P-HG3 G 1.974 ambi=2 { CG:27.401 } atom: 1005 86L-H N 7.951 ambi=1 { N:128.14 } ::sumAvg: 4.73 atom: 1010 86L-HD1 D1 0.923 ambi=2 { CD1:25.282 } atom: 1005 86L-H N 7.951 ambi=1 { N:128.14 } :: atom: 1011 86L-HD2 D2 0.885 ambi=2 { CD2:23.678 } atom: 1005 86L-H N 7.951 ambi=1 { N:128.14 } ::sumAvg: 3.505 atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } atom: 1009 86L-HG G 1.673 ambi=1 { CG:27.217 } ::sumAvg: 2.84 atom: 1009 86L-HG G 1.673 ambi=1 { CG:27.217 } atom: 1006 86L-HA A 4.183 ambi=1 { CA:56.568 } ::sumAvg: 2.84