# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 28 4Q-H N 8.45 ambi=1 { N:122.337 } atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } ::sumAvg: 4.59 atom: 20 3S-H N 8.479 ambi=1 { N:116.589 } atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } ::sumAvg: 3.405 atom: 39 5A-H N 8.258 ambi=1 { N:124.044 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 39 5A-H N 8.258 ambi=1 { N:124.044 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 2.985 atom: 28 4Q-H N 8.45 ambi=1 { N:122.337 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } ::sumAvg: 4.05 atom: 28 4Q-H N 8.45 ambi=1 { N:122.337 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 28 4Q-H N 8.45 ambi=1 { N:122.337 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.52 atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } ::sumAvg: 4.315 atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } ::sumAvg: 4.515 atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } ::sumAvg: 2.775 atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } ::sumAvg: 2.365 atom: 46 6N-H N 8.412 ambi=1 { N:118.107 } atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } ::sumAvg: 4.565 atom: 46 6N-H N 8.412 ambi=1 { N:118.107 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 4.64 atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } ::sumAvg: 4.375 atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } ::sumAvg: 3.78 atom: 81 10K-H N 8.067 ambi=1 { N:117.587 } atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } ::sumAvg: 4.86 atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.69 atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } ::sumAvg: 4.27 atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } ::sumAvg: 4.545 atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 4.685 atom: 81 10K-H N 8.067 ambi=1 { N:117.587 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 4.875 atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } ::sumAvg: 4.275 atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.735 atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.83 atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } ::sumAvg: 4.83 atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } atom: 3023 11K-QD D 1.7 ambi=2 { CD:29.455 } ::sumAvg: 4.785 atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.17 atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.445 atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } :: atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } ::sumAvg: 4.955 atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 4.125 atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } ::sumAvg: 4.76 atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } atom: 96 11K-HA A 3.899 ambi=1 { CA:59.35 } ::sumAvg: 4.435 atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 4.985 atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 4.98 atom: 2007 15N-HD21 D2 7.59 ambi=2 { ND2:113.5 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } :: atom: 2008 15N-HD22 D2 6.99 ambi=2 { ND2:113.5 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 3.235 atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.815 atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } ::sumAvg: 4.24 atom: 2004 14N-HD21 D2 7.52 ambi=2 { ND2:112.5 } atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } :: atom: 2005 14N-HD22 D2 6.88 ambi=2 { ND2:112.5 } atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } :: atom: 2004 14N-HD21 D2 7.52 ambi=2 { ND2:112.5 } atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } :: atom: 2005 14N-HD22 D2 6.88 ambi=2 { ND2:112.5 } atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } ::sumAvg: 4.755 atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } ::sumAvg: 4.645 atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.73 atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.105 atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } ::sumAvg: 4.235 atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 4.825 atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } ::sumAvg: 3.535 atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } ::sumAvg: 4.36 atom: 2007 15N-HD21 D2 7.59 ambi=2 { ND2:113.5 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } :: atom: 2008 15N-HD22 D2 6.99 ambi=2 { ND2:113.5 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } ::sumAvg: 3.66 atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.355 atom: 550 57Y-H N 8.881 ambi=1 { N:113.634 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.565 atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.885 atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } ::sumAvg: 4.53 atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } ::sumAvg: 4.545 atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.295 atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } ::sumAvg: 4.04 atom: 2004 14N-HD21 D2 7.52 ambi=2 { ND2:112.5 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 2005 14N-HD22 D2 6.88 ambi=2 { ND2:112.5 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 2004 14N-HD21 D2 7.52 ambi=2 { ND2:112.5 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } :: atom: 2005 14N-HD22 D2 6.88 ambi=2 { ND2:112.5 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.83 atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.66 atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } atom: 145 16I-H N 7.152 ambi=1 { N:120.31 } ::sumAvg: 4.88 atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } :: atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } ::sumAvg: 4.62 atom: 2007 15N-HD21 D2 7.59 ambi=2 { ND2:113.5 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } :: atom: 2008 15N-HD22 D2 6.99 ambi=2 { ND2:113.5 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } ::sumAvg: 4.28 atom: 145 16I-H N 7.152 ambi=1 { N:120.31 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.585 atom: 170 18L-H N 8.978 ambi=1 { N:127.698 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 4.69 atom: 204 21T-H N 8.623 ambi=1 { N:111.699 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 4.785 atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } atom: 162 17R-HD2 D 3.265 ambi=2 { CD:43.446 } :: atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } atom: 163 17R-HD3 D 3.398 ambi=2 { CD:43.446 } ::sumAvg: 4.345 atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } ::sumAvg: 4.745 atom: 182 19K-H N 8.452 ambi=1 { N:120.284 } atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } ::sumAvg: 4.1 atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } ::sumAvg: 4.895 atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } :: atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } ::sumAvg: 4.355 atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } atom: 162 17R-HD2 D 3.265 ambi=2 { CD:43.446 } :: atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } atom: 163 17R-HD3 D 3.398 ambi=2 { CD:43.446 } ::sumAvg: 4.635 atom: 229 24F-H N 8.944 ambi=1 { N:114.948 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.64 atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.315 atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.705 atom: 182 19K-H N 8.452 ambi=1 { N:120.284 } atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } ::sumAvg: 4.62 atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } ::sumAvg: 4.755 atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } ::sumAvg: 4.76 atom: 204 21T-H N 8.623 ambi=1 { N:111.699 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 4.98 atom: 204 21T-H N 8.623 ambi=1 { N:111.699 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.855 atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 3.575 atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 4.9 atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } ::sumAvg: 4.33 atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 4.245 atom: 519 54Q-H N 9.235 ambi=1 { N:127.228 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.87 atom: 229 24F-H N 8.944 ambi=1 { N:114.948 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.4 atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.015 atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } ::sumAvg: 4.735 atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.77 atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } ::sumAvg: 4.88 atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } ::sumAvg: 4.355 atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 4.655 atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } ::sumAvg: 4.195 atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } ::sumAvg: 4.56 atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 4.535 atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.075 atom: 237 25K-H N 9.098 ambi=1 { N:118.505 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.415 atom: 237 25K-H N 9.098 ambi=1 { N:118.505 } atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } ::sumAvg: 4.57 atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } ::sumAvg: 4.95 atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } :: atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } ::sumAvg: 4.61 atom: 248 26L-H N 9.93 ambi=1 { N:125.25 } atom: 302 32Q-H N 7.227 ambi=1 { N:117.758 } ::sumAvg: 4.99 atom: 302 32Q-H N 7.227 ambi=1 { N:117.758 } atom: 248 26L-H N 9.93 ambi=1 { N:125.25 } ::sumAvg: 4.99 atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 3.99 atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.375 atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.325 atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.635 atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } atom: 456 48Q-HB2 B 2.051 ambi=2 { CB:28.192 } :: atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } ::sumAvg: 4.5 atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 4.86 atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } ::sumAvg: 4.1 atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } ::sumAvg: 4.54 atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } ::sumAvg: 4.835 atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } ::sumAvg: 4.7 atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.78 atom: 294 31N-H N 8.699 ambi=1 { N:115.305 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 3.635 atom: 294 31N-H N 8.699 ambi=1 { N:115.305 } atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } ::sumAvg: 4.835 atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } ::sumAvg: 4.97 atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 4.98 atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } :: atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } ::sumAvg: 4.065 atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } ::sumAvg: 4.69 atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } ::sumAvg: 4.82 atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 4.41 atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.785 atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } ::sumAvg: 3.94 atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } ::sumAvg: 4.715 atom: 2014 33N-HD22 D2 6.86 ambi=2 { ND2:113.8 } atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } ::sumAvg: 4.725 atom: 2013 33N-HD21 D2 7.77 ambi=2 { ND2:113.8 } atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } :: atom: 2013 33N-HD21 D2 7.77 ambi=2 { ND2:113.8 } atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } :: atom: 2014 33N-HD22 D2 6.86 ambi=2 { ND2:113.8 } atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } :: atom: 2014 33N-HD22 D2 6.86 ambi=2 { ND2:113.8 } atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } ::sumAvg: 4.84 atom: 2013 33N-HD21 D2 7.77 ambi=2 { ND2:113.8 } atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } :: atom: 2014 33N-HD22 D2 6.86 ambi=2 { ND2:113.8 } atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } ::sumAvg: 4.53 atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } :: atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } ::sumAvg: 4.86 atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } ::sumAvg: 4.235 atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.955 atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 4.905 atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 3.85 atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } atom: 337 36Q-HA A 4.419 ambi=1 { CA:54.91 } ::sumAvg: 4.915 atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } :: atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } ::sumAvg: 4.53 atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } ::sumAvg: 3.35 atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } ::sumAvg: 4.735 atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 3.895 atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } ::sumAvg: 4.77 atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.95 atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } ::sumAvg: 4.75 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.565 atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.83 atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 4.29 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 363 38L-HG G 0.88 ambi=1 { CG:25.94 } ::sumAvg: 4.14 atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.31 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.62 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.36 atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 3.785 atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.78 atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } :: atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } ::sumAvg: 4.7 atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.84 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } ::sumAvg: 3.49 atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } ::sumAvg: 4.535 atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } ::sumAvg: 4.445 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 4.92 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.73 atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } ::sumAvg: 4.95 atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 4.95 atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } ::sumAvg: 4.26 atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } ::sumAvg: 4.385 atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 4.765 atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 4.26 atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.26 atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.985 atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.095 atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.025 atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.66 atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } atom: 3032 44K-QD D 1.767 ambi=2 { CD:29.328 } ::sumAvg: 4.055 atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 4.41 atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } ::sumAvg: 3.42 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } ::sumAvg: 4.855 atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.27 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.67 atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } ::sumAvg: 4.085 atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 4.085 atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4 atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.98 atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } ::sumAvg: 4.045 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } ::sumAvg: 4.085 atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 3.99 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 447 47Y-HA A 4.079 ambi=1 { CA:59.325 } ::sumAvg: 4.26 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 455 48Q-HA A 3.858 ambi=1 { CA:57.37 } ::sumAvg: 3.42 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } :: atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } ::sumAvg: 4.44 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } ::sumAvg: 4.995 atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 4.54 atom: 470 50I-H N 8.845 ambi=1 { N:125.81 } atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } ::sumAvg: 4.27 atom: 470 50I-H N 8.845 ambi=1 { N:125.81 } atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } ::sumAvg: 4.82 atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } ::sumAvg: 4.25 atom: 634 65I-H N 8.6 ambi=1 { N:123.131 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 4.71 atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 4.525 atom: 495 52I-H N 9.061 ambi=1 { N:126.21 } atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } ::sumAvg: 3.245 atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.715 atom: 634 65I-H N 8.6 ambi=1 { N:123.131 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.68 atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } ::sumAvg: 3.435 atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } ::sumAvg: 4.89 atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } atom: 519 54Q-H N 9.235 ambi=1 { N:127.228 } ::sumAvg: 4.58 atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 3.465 atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 4.29 atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } :: atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } ::sumAvg: 4.87 atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } :: atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } ::sumAvg: 4.94 atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } ::sumAvg: 4.69 atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } ::sumAvg: 4.185 atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } ::sumAvg: 4.225 atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } ::sumAvg: 4.98 atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 3.99 atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 4.615 atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } atom: 560 58Q-HB2 B 2.089 ambi=2 { CB:28.275 } :: atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } ::sumAvg: 4.895 atom: 2019 59N-HD21 D2 7.77 ambi=2 { ND2:113.9 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } :: atom: 2020 59N-HD22 D2 7.02 ambi=2 { ND2:113.9 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 4.78 atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.895 atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } ::sumAvg: 4.9 atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.645 atom: 2020 59N-HD22 D2 7.02 ambi=2 { ND2:113.9 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 4.86 atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } atom: 2020 59N-HD22 D2 7.02 ambi=2 { ND2:113.9 } ::sumAvg: 4.86 atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } ::sumAvg: 4.99 atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } :: atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } ::sumAvg: 4.685 atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } :: atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } ::sumAvg: 4.97 atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 3.93 atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.545 atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.7 atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.265 atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.815 atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } ::sumAvg: 3.68 atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } ::sumAvg: 4.81 atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 4.87 atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 3.94 atom: 634 65I-H N 8.6 ambi=1 { N:123.131 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.175 atom: 621 64K-H N 8.17 ambi=1 { N:124.657 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 4.59 atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } atom: 621 64K-H N 8.17 ambi=1 { N:124.657 } ::sumAvg: 4.59 atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } ::sumAvg: 4.895 atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.68 atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.995 atom: 833 88L-H N 9.163 ambi=1 { N:125.681 } atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } :: atom: 833 88L-H N 9.163 ambi=1 { N:125.681 } atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } ::sumAvg: 4.95 atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } ::sumAvg: 4.305 atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } ::sumAvg: 4.305 atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.755 atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.71 atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } ::sumAvg: 4.745 atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 4.515 atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 670 69L-H N 9.15 ambi=1 { N:119.32 } ::sumAvg: 4.27 atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } ::sumAvg: 4.985 atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.76 atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.895 atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } ::sumAvg: 4.895 atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 3.125 atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.63 atom: 670 69L-H N 9.15 ambi=1 { N:119.32 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.415 atom: 670 69L-H N 9.15 ambi=1 { N:119.32 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 3.82 atom: 670 69L-H N 9.15 ambi=1 { N:119.32 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 670 69L-H N 9.15 ambi=1 { N:119.32 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.925 atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } ::sumAvg: 4.19 atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 4.9 atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } ::sumAvg: 3.935 atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } atom: 729 77S-H N 7.893 ambi=1 { N:117.851 } ::sumAvg: 4.44 atom: 729 77S-H N 7.893 ambi=1 { N:117.851 } atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } ::sumAvg: 4.44 atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } :: atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } ::sumAvg: 3.325 atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } ::sumAvg: 4.605 atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.75 atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } :: atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } ::sumAvg: 4.14 atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } :: atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } ::sumAvg: 4.58 atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } atom: 729 77S-H N 7.893 ambi=1 { N:117.851 } ::sumAvg: 4.15 atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } ::sumAvg: 4.17 atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } ::sumAvg: 3.535 atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.525 atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } ::sumAvg: 4.495 atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } ::sumAvg: 4.29 atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 4.655 atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 4.85 atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } ::sumAvg: 4.83 atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } ::sumAvg: 4.795 atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 3.865 atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } ::sumAvg: 3.865 atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } ::sumAvg: 4.81 atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 4.535 atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } ::sumAvg: 4.695 atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } atom: 3041 80K-QD D 1.6 ambi=2 { CD:29.5 } ::sumAvg: 4.86 atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 3.535 atom: 1053 110S-H N 7.785 ambi=1 { N:114.467 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 1053 110S-H N 7.785 ambi=1 { N:114.467 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 4.37 atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 776 83T-H N 7.963 ambi=1 { N:111.624 } ::sumAvg: 4.475 atom: 776 83T-H N 7.963 ambi=1 { N:111.624 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 4.605 atom: 776 83T-H N 7.963 ambi=1 { N:111.624 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.555 atom: 776 83T-H N 7.963 ambi=1 { N:111.624 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.76 atom: 1020 106S-H N 8.329 ambi=1 { N:119.446 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 4.775 atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 3.645 atom: 1034 108F-H N 7.936 ambi=1 { N:119.405 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 4.095 atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.355 atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 4.725 atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } ::sumAvg: 4.68 atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } ::sumAvg: 4.95 atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 1011 105V-HB B 2.27 ambi=1 { CB:35.188 } ::sumAvg: 4.485 atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 3.735 atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 3.48 atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 3.11 atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.42 atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.995 atom: 999 104E-H N 9.19 ambi=1 { N:129.12 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } ::sumAvg: 4.22 atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } ::sumAvg: 4.13 atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } ::sumAvg: 4.72 atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } ::sumAvg: 3.47 atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.76 atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 3.175 atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.72 atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.845 atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.945 atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } ::sumAvg: 4.955 atom: 833 88L-H N 9.163 ambi=1 { N:125.681 } atom: 973 102L-H N 8.698 ambi=1 { N:127.349 } ::sumAvg: 4.89 atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.96 atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.335 atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.16 atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.995 atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.715 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.95 atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.96 atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } ::sumAvg: 4.735 atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } atom: 947 99Y-HA A 4.659 ambi=1 { CA:56.279 } ::sumAvg: 4.865 atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } atom: 954 100Y-H N 8.741 ambi=1 { N:119.952 } ::sumAvg: 4.72 atom: 954 100Y-H N 8.741 ambi=1 { N:119.952 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 4.72 atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 4.56 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.705 atom: 954 100Y-H N 8.741 ambi=1 { N:119.952 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.745 atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } atom: 861 90L-HG G 0.745 ambi=1 { CG:27.24 } ::sumAvg: 4.6 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 861 90L-HG G 0.745 ambi=1 { CG:27.24 } ::sumAvg: 4.99 atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 3.255 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.385 atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 4.915 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 3.595 atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } ::sumAvg: 4.275 atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } ::sumAvg: 3.765 atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } ::sumAvg: 4.865 atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 4.105 atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 4.375 atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } ::sumAvg: 3.865 atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } ::sumAvg: 4.85 atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } :: atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 4.15 atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } ::sumAvg: 3.98 atom: 911 95N-H N 7.18 ambi=1 { N:113.292 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } ::sumAvg: 4.395 atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 4.75 atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } ::sumAvg: 4.75 atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } atom: 891 93K-QG G 1.31 ambi=2 { CG:25.99 } ::sumAvg: 4.17 atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } ::sumAvg: 4.11 atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } ::sumAvg: 4.66 atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } :: atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } ::sumAvg: 4.775 atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } :: atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } ::sumAvg: 4.775 atom: 911 95N-H N 7.18 ambi=1 { N:113.292 } atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } ::sumAvg: 4.565 atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } :: atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } ::sumAvg: 4.65 atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } :: atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } ::sumAvg: 4.16 atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } ::sumAvg: 4.67 atom: 2082 97Q-HE21 E2 7.29 ambi=2 { NE2:112.5 } atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } :: atom: 2083 97Q-HE22 E2 6.81 ambi=2 { NE2:112.5 } atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } ::sumAvg: 4.715 atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 4.935 atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } :: atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } ::sumAvg: 4.94 atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } :: atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } ::sumAvg: 4.94 atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } :: atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } ::sumAvg: 4.64 atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } atom: 2083 97Q-HE22 E2 6.81 ambi=2 { NE2:112.5 } ::sumAvg: 4.8 atom: 2083 97Q-HE22 E2 6.81 ambi=2 { NE2:112.5 } atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } ::sumAvg: 4.8 atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 4.745 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } ::sumAvg: 4.99 atom: 2082 97Q-HE21 E2 7.29 ambi=2 { NE2:112.5 } atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } :: atom: 2083 97Q-HE22 E2 6.81 ambi=2 { NE2:112.5 } atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } ::sumAvg: 4.285 atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } atom: 2082 97Q-HE21 E2 7.29 ambi=2 { NE2:112.5 } :: atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } atom: 2083 97Q-HE22 E2 6.81 ambi=2 { NE2:112.5 } ::sumAvg: 4.285 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } ::sumAvg: 4.32 atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } ::sumAvg: 4.98 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 937 98V-HB B 1.606 ambi=1 { CB:33.921 } ::sumAvg: 4.315 atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.92 atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.815 atom: 973 102L-H N 8.698 ambi=1 { N:127.349 } atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } ::sumAvg: 4.725 atom: 999 104E-H N 9.19 ambi=1 { N:129.12 } atom: 3004 103L-HG G 1.65 ambi=1 { CG:27.189 } ::sumAvg: 4.435 atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } :: atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } ::sumAvg: 3.825 atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 4.96 atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 4.925 atom: 1020 106S-H N 8.329 ambi=1 { N:119.446 } atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } :: atom: 1020 106S-H N 8.329 ambi=1 { N:119.446 } atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } ::sumAvg: 4.99 atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.19 atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.88 atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } :: atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } ::sumAvg: 4.405 atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 4.86 atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } atom: 2037 111N-HD21 D2 7.66 ambi=2 { ND2:111.7 } :: atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } atom: 2038 111N-HD22 D2 7.006 ambi=2 { ND2:111.7 } ::sumAvg: 4.42 atom: 2037 111N-HD21 D2 7.66 ambi=2 { ND2:111.7 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } :: atom: 2038 111N-HD22 D2 7.006 ambi=2 { ND2:111.7 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 4.42 atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } ::sumAvg: 4.445 atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } ::sumAvg: 3.915 atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } :: atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } ::sumAvg: 3.15 atom: 1100 115E-H N 8.281 ambi=1 { N:122.028 } atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } :: atom: 1100 115E-H N 8.281 ambi=1 { N:122.028 } atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } ::sumAvg: 3.825 atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } ::sumAvg: 4.4 atom: 1100 115E-H N 8.281 ambi=1 { N:122.028 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } ::sumAvg: 4.515 atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } :: atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } ::sumAvg: 4.995 atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } ::sumAvg: 4.305 atom: 1078 113Y-H N 7.92 ambi=1 { N:119.04 } atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } ::sumAvg: 4.885 atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } ::sumAvg: 4.935 atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } :: atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } ::sumAvg: 4.69 atom: 1110 116H-H N 8.3 ambi=1 { N:120.05 } atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } ::sumAvg: 4.83 atom: 1100 115E-H N 8.281 ambi=1 { N:122.028 } atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } ::sumAvg: 4.945 atom: 1110 116H-H N 8.3 ambi=1 { N:120.05 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } :: atom: 1110 116H-H N 8.3 ambi=1 { N:120.05 } atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } ::sumAvg: 3.28 atom: 1110 116H-H N 8.3 ambi=1 { N:120.05 } atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } :: atom: 1110 116H-H N 8.3 ambi=1 { N:120.05 } atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } ::sumAvg: 3.915 atom: 1118 117H-H N 8.13 ambi=1 { N:125.4 } atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } :: atom: 1118 117H-H N 8.13 ambi=1 { N:125.4 } atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } ::sumAvg: 4.39 atom: 1118 117H-H N 8.13 ambi=1 { N:125.4 } atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } ::sumAvg: 3.065 # Missing interactons for c_aro.peaks atom: 3176 57Y-QD D 6.93 ambi=3 { CD1:132.76 } atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } ::sumAvg: 4.605 atom: 3177 57Y-QE E 6.53 ambi=3 { CE1:118.66 } atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } ::sumAvg: 4.66 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.45 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } :: atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } ::sumAvg: 4.395 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 3.49 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 81 10K-H N 8.067 ambi=1 { N:117.587 } ::sumAvg: 3.945 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } ::sumAvg: 4.55 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } ::sumAvg: 3.965 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.325 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } :: atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } ::sumAvg: 4.18 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.725 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 591 61L-HG G 0.65 ambi=1 { CG:26.637 } ::sumAvg: 4.475 atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 3.095 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.615 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } :: atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } ::sumAvg: 3.89 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.25 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } ::sumAvg: 4.815 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.785 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 589 61L-HB2 B 2.14 ambi=2 { CB:46.5 } :: atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } ::sumAvg: 4.815 atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } atom: 591 61L-HG G 0.65 ambi=1 { CG:26.637 } ::sumAvg: 4.02 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.36 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 2.655 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } ::sumAvg: 3.94 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.785 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.14 atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.335 atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } :: atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } ::sumAvg: 4.44 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 174 18L-HG G 1.58 ambi=1 { CG:27.049 } ::sumAvg: 4.875 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.45 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 204 21T-H N 8.623 ambi=1 { N:111.699 } ::sumAvg: 4.855 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 4.72 atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 4.02 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.565 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 229 24F-H N 8.944 ambi=1 { N:114.948 } ::sumAvg: 4.4 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.455 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } ::sumAvg: 4.615 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } ::sumAvg: 4.015 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 4.525 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } ::sumAvg: 4.125 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } ::sumAvg: 3.965 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 3.245 atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.125 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 4.77 atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 4.56 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } ::sumAvg: 4.04 atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } :: atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } ::sumAvg: 4.44 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 2.2 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } ::sumAvg: 4.525 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 3.735 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 3.93 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } ::sumAvg: 4.03 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } :: atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } ::sumAvg: 4.355 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.135 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.545 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } ::sumAvg: 4.075 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.235 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } ::sumAvg: 4.89 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.295 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.295 atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 3.945 atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.32 atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 4.82 atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.665 atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.98 atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.62 atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 3.65 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 3.755 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.475 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 3.375 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } ::sumAvg: 4.1 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 270 28A-HA A 3.736 ambi=1 { CA:53.417 } ::sumAvg: 4.96 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.61 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } :: atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } ::sumAvg: 2.3 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } :: atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } ::sumAvg: 4.37 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } ::sumAvg: 4.55 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } ::sumAvg: 3.805 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 4.395 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } :: atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } ::sumAvg: 4.895 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } ::sumAvg: 4.305 atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 3.7 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.06 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } ::sumAvg: 4.34 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 392 41Q-HG2 G 2.487 ambi=2 { CG:36.2 } :: atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 2066 41Q-HG3 G 2.348 ambi=2 { CG:36.2 } ::sumAvg: 3.69 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } ::sumAvg: 4.205 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.9 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 421 44K-HB2 B 2.05 ambi=2 { CB:34.018 } :: atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 422 44K-HB3 B 2.009 ambi=2 { CB:34.018 } ::sumAvg: 4.84 atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.2 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } ::sumAvg: 4.705 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } ::sumAvg: 3.125 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 4.555 atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } ::sumAvg: 4.425 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } ::sumAvg: 4.08 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } ::sumAvg: 4.725 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 4.795 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.56 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.37 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 4.935 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.705 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 4.165 atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.35 atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 4.495 atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 4.945 atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.815 atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 4.595 atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.57 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } ::sumAvg: 4.065 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 4.625 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.395 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.39 atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.545 atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 3.9 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 3.36 atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.825 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.37 atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.925 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 3.25 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } ::sumAvg: 4.55 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } ::sumAvg: 3.39 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.96 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.55 atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.525 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 4.78 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.73 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.09 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 4.64 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 3 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.57 atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.925 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.985 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 3.285 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.87 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.335 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 3.9 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 4.635 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 4.645 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.725 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 670 69L-H N 9.15 ambi=1 { N:119.32 } ::sumAvg: 4.97 atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 4.055 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 4.055 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 4 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 4.98 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } ::sumAvg: 4.105 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } ::sumAvg: 4.305 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 3.375 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 4.3 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } ::sumAvg: 3.985 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 3.545 atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } ::sumAvg: 4.695 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } :: atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } ::sumAvg: 4.45 atom: 3176 57Y-QD D 6.93 ambi=3 { CD1:132.76 } atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } ::sumAvg: 4.745 atom: 3176 57Y-QD D 6.93 ambi=3 { CD1:132.76 } atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } ::sumAvg: 4.215 atom: 3176 57Y-QD D 6.93 ambi=3 { CD1:132.76 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.925 atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 3.65 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } ::sumAvg: 4.665 atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.73 atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.9 atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.655 atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } atom: 647 66I-HD1 D1 0.85 ambi=1 { CD1:12.9 } ::sumAvg: 3.7 atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } :: atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } ::sumAvg: 3.705 atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } :: atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } ::sumAvg: 3.455 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } ::sumAvg: 4.65 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 4.61 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.62 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 4.375 atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.63 atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.665 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 683 70Y-H N 8.79 ambi=1 { N:121.9 } ::sumAvg: 4.55 atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } ::sumAvg: 4.24 atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } :: atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } ::sumAvg: 4.165 atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } ::sumAvg: 4.19 atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } ::sumAvg: 4.885 atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } ::sumAvg: 4.9 atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 3.455 atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } ::sumAvg: 3.19 atom: 3114 75F-QE E 7.09 ambi=3 { CE1:131.8 } atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } :: atom: 3114 75F-QE E 7.09 ambi=3 { CE1:131.8 } atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } ::sumAvg: 4.395 atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } atom: 3114 75F-QE E 7.09 ambi=3 { CE1:131.8 } ::sumAvg: 2.19 atom: 3114 75F-QE E 7.09 ambi=3 { CE1:131.8 } atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } ::sumAvg: 2.19 atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } ::sumAvg: 3.705 atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } ::sumAvg: 4.95 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 4.635 atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 3.725 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.81 atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.73 atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.725 atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 4.95 atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.235 atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 3.505 atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } ::sumAvg: 4 atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 936 98V-H N 8.001 ambi=1 { N:122.101 } ::sumAvg: 4.98 atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 2.68 atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.575 atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } ::sumAvg: 2.19 atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 3.845 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 3.445 atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 3.525 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } :: atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } ::sumAvg: 4.77 atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 3.93 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } ::sumAvg: 4.105 atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 4.24 atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } ::sumAvg: 4.725 atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } ::sumAvg: 4.39 atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } ::sumAvg: 4.575 atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } ::sumAvg: 4.77 # Missing interactons for c_ali.peaks atom: 11 2L-HG G 1.654 ambi=1 { CG:27.18 } atom: 20 3S-H N 8.479 ambi=1 { N:116.589 } ::sumAvg: 4.235 atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } :: atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } ::sumAvg: 4.955 atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } :: atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } ::sumAvg: 4.955 atom: 21 3S-HA A 4.39 ambi=1 { CA:58.759 } atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } ::sumAvg: 4.46 atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.78 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } ::sumAvg: 4.78 atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } atom: 9 2L-QB B 1.667 ambi=2 { CB:42.324 } ::sumAvg: 4.7 atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } atom: 20 3S-H N 8.479 ambi=1 { N:116.589 } ::sumAvg: 3.405 atom: 21 3S-HA A 4.39 ambi=1 { CA:58.759 } atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } ::sumAvg: 4.965 atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } atom: 32 4Q-QG G 2.397 ambi=2 { CG:33.98 } ::sumAvg: 4.82 atom: 32 4Q-QG G 2.397 ambi=2 { CG:33.98 } atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } ::sumAvg: 4.82 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } ::sumAvg: 4.845 atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } ::sumAvg: 4.325 atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } atom: 3176 57Y-QD D 6.93 ambi=3 { CD1:132.76 } ::sumAvg: 4.605 atom: 12 2L-QD D 0.887 ambi=2 { QCD:24.129 } atom: 3177 57Y-QE E 6.53 ambi=3 { CE1:118.66 } ::sumAvg: 4.66 atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } atom: 39 5A-H N 8.258 ambi=1 { N:124.044 } :: atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } atom: 39 5A-H N 8.258 ambi=1 { N:124.044 } ::sumAvg: 4.66 atom: 29 4Q-HA A 4.369 ambi=1 { CA:55.873 } atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } :: atom: 29 4Q-HA A 4.369 ambi=1 { CA:55.873 } atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } ::sumAvg: 4.62 atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } :: atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.87 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 22 3S-HB2 B 3.947 ambi=2 { CB:63.569 } :: atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 23 3S-HB3 B 3.894 ambi=2 { CB:63.569 } ::sumAvg: 4.87 atom: 21 3S-HA A 4.39 ambi=1 { CA:58.759 } atom: 32 4Q-QG G 2.397 ambi=2 { CG:33.98 } ::sumAvg: 4.66 atom: 21 3S-HA A 4.39 ambi=1 { CA:58.759 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 21 3S-HA A 4.39 ambi=1 { CA:58.759 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.74 atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 29 4Q-HA A 4.369 ambi=1 { CA:55.873 } ::sumAvg: 4.405 atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } atom: 30 4Q-HB2 B 2.194 ambi=2 { CB:29.416 } :: atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } atom: 31 4Q-HB3 B 2.057 ambi=2 { CB:29.416 } ::sumAvg: 4.575 atom: 30 4Q-HB2 B 2.194 ambi=2 { CB:29.416 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } :: atom: 31 4Q-HB3 B 2.057 ambi=2 { CB:29.416 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } ::sumAvg: 4.8 atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 30 4Q-HB2 B 2.194 ambi=2 { CB:29.416 } :: atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 31 4Q-HB3 B 2.057 ambi=2 { CB:29.416 } ::sumAvg: 4.8 atom: 32 4Q-QG G 2.397 ambi=2 { CG:33.98 } atom: 39 5A-H N 8.258 ambi=1 { N:124.044 } ::sumAvg: 4.09 atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } atom: 32 4Q-QG G 2.397 ambi=2 { CG:33.98 } ::sumAvg: 4.885 atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } ::sumAvg: 4.325 atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } ::sumAvg: 4.665 atom: 40 5A-HA A 4.303 ambi=1 { CA:52.978 } atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } ::sumAvg: 4.315 atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } ::sumAvg: 4.405 atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } ::sumAvg: 4.405 atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } ::sumAvg: 4.295 atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } ::sumAvg: 2.775 atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } ::sumAvg: 4.9 atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 3.21 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } ::sumAvg: 3.21 atom: 41 5A-HB B 1.38 ambi=1 { CB:19.345 } atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } ::sumAvg: 4.37 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 46 6N-H N 8.412 ambi=1 { N:118.107 } ::sumAvg: 4.64 atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } ::sumAvg: 4.715 atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } ::sumAvg: 4.715 atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 3.78 atom: 47 6N-HA A 4.703 ambi=1 { CA:53.77 } atom: 81 10K-H N 8.067 ambi=1 { N:117.587 } ::sumAvg: 4.86 atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } ::sumAvg: 3.39 atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } ::sumAvg: 3.39 atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } ::sumAvg: 3.955 atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 4.485 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } ::sumAvg: 4.485 atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } atom: 85 10K-HG3 G 1.323 ambi=2 { CG:25.46 } :: atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } atom: 3020 10K-HG2 G 1.551 ambi=2 { CG:25.46 } ::sumAvg: 4.85 atom: 85 10K-HG3 G 1.323 ambi=2 { CG:25.46 } atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } :: atom: 3020 10K-HG2 G 1.551 ambi=2 { CG:25.46 } atom: 48 6N-QB B 2.91 ambi=2 { CB:39.022 } ::sumAvg: 4.85 atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } :: atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } ::sumAvg: 4.835 atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } ::sumAvg: 4.835 atom: 86 10K-QD D 1.678 ambi=2 { CD:29.55 } atom: 58 7E-QG G 2.337 ambi=2 { CG:36.182 } ::sumAvg: 4.2 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 54 7E-H N 8.587 ambi=1 { N:121.91 } ::sumAvg: 4.69 atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 4.27 atom: 55 7E-HA A 4.067 ambi=1 { CA:58.511 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.545 atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 3.93 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.775 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 4.775 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } ::sumAvg: 2.665 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 4.685 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 81 10K-H N 8.067 ambi=1 { N:117.587 } ::sumAvg: 4.875 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 86 10K-QD D 1.678 ambi=2 { CD:29.55 } ::sumAvg: 4.735 atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 3021 11K-HG2 G 1.54 ambi=2 { CG:25.394 } :: atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } atom: 3022 11K-HG3 G 1.347 ambi=2 { CG:25.394 } ::sumAvg: 4.195 atom: 3021 11K-HG2 G 1.54 ambi=2 { CG:25.394 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } :: atom: 3022 11K-HG3 G 1.347 ambi=2 { CG:25.394 } atom: 56 7E-QB B 2.08 ambi=2 { CB:30.464 } ::sumAvg: 4.195 atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.81 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } ::sumAvg: 4.81 atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 3.51 atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 81 10K-H N 8.067 ambi=1 { N:117.587 } ::sumAvg: 4.205 atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 3023 11K-QD D 1.7 ambi=2 { CD:29.455 } ::sumAvg: 2.545 atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } ::sumAvg: 4.275 atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } :: atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } ::sumAvg: 4.61 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 66 8D-HA A 4.411 ambi=1 { CA:56.369 } ::sumAvg: 4.61 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.405 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.405 atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4.875 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.87 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 3023 11K-QD D 1.7 ambi=2 { CD:29.455 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 3023 11K-QD D 1.7 ambi=2 { CD:29.455 } ::sumAvg: 3.915 atom: 3023 11K-QD D 1.7 ambi=2 { CD:29.455 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 3023 11K-QD D 1.7 ambi=2 { CD:29.455 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 3.915 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } :: atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } ::sumAvg: 3.94 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 3.94 atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } :: atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } ::sumAvg: 4 atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } atom: 67 8D-HB2 B 2.744 ambi=2 { CB:40.273 } :: atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } atom: 68 8D-HB3 B 2.683 ambi=2 { CB:40.273 } ::sumAvg: 4 atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } :: atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } ::sumAvg: 4.655 atom: 3023 11K-QD D 1.7 ambi=2 { CD:29.455 } atom: 65 8D-H N 8.455 ambi=1 { N:120.117 } ::sumAvg: 4.785 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 4.845 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.45 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 81 10K-H N 8.067 ambi=1 { N:117.587 } ::sumAvg: 3.565 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } ::sumAvg: 4.76 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.76 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.17 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } ::sumAvg: 3.415 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 3.2 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.215 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.215 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } ::sumAvg: 4.445 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.7 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.7 atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.275 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 74 9F-HA A 4.003 ambi=1 { CA:61.979 } ::sumAvg: 4.275 atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } :: atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.395 atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } ::sumAvg: 4.41 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } ::sumAvg: 4.41 atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } :: atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } ::sumAvg: 4.99 atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 85 10K-HG3 G 1.323 ambi=2 { CG:25.46 } :: atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 3020 10K-HG2 G 1.551 ambi=2 { CG:25.46 } :: atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 85 10K-HG3 G 1.323 ambi=2 { CG:25.46 } :: atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 3020 10K-HG2 G 1.551 ambi=2 { CG:25.46 } ::sumAvg: 4.875 atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } :: atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.955 atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } :: atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.6 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 75 9F-HB2 B 3.208 ambi=2 { CB:39.473 } :: atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 76 9F-HB3 B 2.806 ambi=2 { CB:39.473 } ::sumAvg: 4.6 atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 4.94 atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 4.895 atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } atom: 73 9F-H N 8.255 ambi=1 { N:123.288 } ::sumAvg: 4.945 atom: 96 11K-HA A 3.899 ambi=1 { CA:59.35 } atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } ::sumAvg: 3.54 atom: 96 11K-HA A 3.899 ambi=1 { CA:59.35 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } ::sumAvg: 4.825 atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } atom: 96 11K-HA A 3.899 ambi=1 { CA:59.35 } ::sumAvg: 4.825 atom: 131 14N-HB2 B 2.819 ambi=2 { CB:38.457 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } :: atom: 132 14N-HB3 B 2.722 ambi=2 { CB:38.457 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 4.835 atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } ::sumAvg: 3.935 atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 3.935 atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 4.77 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } ::sumAvg: 3.42 atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } ::sumAvg: 4.19 atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } ::sumAvg: 4.835 atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } ::sumAvg: 4.985 atom: 97 11K-QB B 1.83 ambi=2 { CB:32.224 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 4.98 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 4.55 atom: 85 10K-HG3 G 1.323 ambi=2 { CG:25.46 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } :: atom: 3020 10K-HG2 G 1.551 ambi=2 { CG:25.46 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 4.285 atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 3.965 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 4.515 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 4.18 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 4.725 atom: 589 61L-HB2 B 2.14 ambi=2 { CB:46.5 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } :: atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 4.525 atom: 591 61L-HG G 0.65 ambi=1 { CG:26.637 } atom: 3058 9F-QD D 6.81 ambi=3 { CD1:131.9 CD2:132.1 } ::sumAvg: 4.475 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.615 atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.595 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 3.89 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.25 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.785 atom: 589 61L-HB2 B 2.14 ambi=2 { CB:46.5 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } :: atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.815 atom: 591 61L-HG G 0.65 ambi=1 { CG:26.637 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.02 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 3.43 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 3059 9F-QE E 7.207 ambi=3 { CE1:130.9 } ::sumAvg: 4.975 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 96 11K-HA A 3.899 ambi=1 { CA:59.35 } ::sumAvg: 4.79 atom: 96 11K-HA A 3.899 ambi=1 { CA:59.35 } atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } ::sumAvg: 4.79 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 3.51 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 106 12I-H N 6.97 ambi=1 { N:119.214 } ::sumAvg: 4.24 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } ::sumAvg: 4.695 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.67 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } ::sumAvg: 4.67 atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.47 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 82 10K-HA A 3.495 ambi=1 { CA:59.89 } ::sumAvg: 4.47 atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.625 atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 2004 14N-HD21 D2 7.52 ambi=2 { ND2:112.5 } :: atom: 83 10K-HB2 B 1.818 ambi=2 { CB:31.882 } atom: 2005 14N-HD22 D2 6.88 ambi=2 { ND2:112.5 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 2004 14N-HD21 D2 7.52 ambi=2 { ND2:112.5 } :: atom: 84 10K-HB3 B 1.754 ambi=2 { CB:31.882 } atom: 2005 14N-HD22 D2 6.88 ambi=2 { ND2:112.5 } ::sumAvg: 4.755 atom: 85 10K-HG3 G 1.323 ambi=2 { CG:25.46 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 85 10K-HG3 G 1.323 ambi=2 { CG:25.46 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } :: atom: 3020 10K-HG2 G 1.551 ambi=2 { CG:25.46 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 3020 10K-HG2 G 1.551 ambi=2 { CG:25.46 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.31 atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.645 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.44 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 95 11K-H N 7.387 ambi=1 { N:117.271 } ::sumAvg: 4.73 atom: 131 14N-HB2 B 2.819 ambi=2 { CB:38.457 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } :: atom: 132 14N-HB3 B 2.722 ambi=2 { CB:38.457 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } ::sumAvg: 4.425 atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } ::sumAvg: 4.36 atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } :: atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } ::sumAvg: 4.775 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } ::sumAvg: 4.775 atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } ::sumAvg: 4.965 atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } atom: 107 12I-HA A 3.166 ambi=1 { CA:65.22 } ::sumAvg: 4.965 atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } ::sumAvg: 4.405 atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 3.835 atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.87 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 108 12I-HB B 1.277 ambi=1 { CB:36.951 } ::sumAvg: 4.87 atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 2.315 atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } ::sumAvg: 2.14 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } ::sumAvg: 4.35 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } :: atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } ::sumAvg: 4.95 atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } :: atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } ::sumAvg: 4.95 atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } ::sumAvg: 4.76 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 109 12I-HG13 G1 0.128 ambi=2 { CG1:27.82 } :: atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 3005 12I-HG12 G1 1.304 ambi=2 { CG1:27.82 } ::sumAvg: 4.76 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } ::sumAvg: 3.18 atom: 121 13V-HB B 1.676 ambi=1 { CB:31.131 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.46 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } ::sumAvg: 3.66 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 3.66 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 4.355 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } :: atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } ::sumAvg: 4.37 atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.37 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.53 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.53 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 3.41 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 4.735 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.735 atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.155 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } ::sumAvg: 4.68 atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.68 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 550 57Y-H N 8.881 ambi=1 { N:113.634 } ::sumAvg: 4.565 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } ::sumAvg: 4.035 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.035 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 4.885 atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.885 atom: 589 61L-HB2 B 2.14 ambi=2 { CB:46.5 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } :: atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.05 atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 3.245 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 3.245 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 110 12I-HG2 G2 -0.08 ambi=1 { CG2:16.2 } ::sumAvg: 4.765 atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } ::sumAvg: 4.185 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 111 12I-HD1 D1 0.455 ambi=1 { CD1:13.357 } ::sumAvg: 4.185 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } ::sumAvg: 4.605 atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } ::sumAvg: 4.545 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } ::sumAvg: 3.905 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 119 13V-H N 7.504 ambi=1 { N:117.42 } ::sumAvg: 4.295 atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } ::sumAvg: 3.51 atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } atom: 130 14N-HA A 4.426 ambi=1 { CA:54.893 } ::sumAvg: 4.72 atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 4.04 atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } ::sumAvg: 4.735 atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } ::sumAvg: 4.735 atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.855 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } ::sumAvg: 4.855 atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 3.05 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 120 13V-HA A 3.072 ambi=1 { CA:65.935 } ::sumAvg: 3.05 atom: 121 13V-HB B 1.676 ambi=1 { CB:31.131 } atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } ::sumAvg: 4.94 atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 121 13V-HB B 1.676 ambi=1 { CB:31.131 } ::sumAvg: 4.94 atom: 121 13V-HB B 1.676 ambi=1 { CB:31.131 } atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } ::sumAvg: 4.645 atom: 121 13V-HB B 1.676 ambi=1 { CB:31.131 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.02 atom: 121 13V-HB B 1.676 ambi=1 { CB:31.131 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 3.22 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 131 14N-HB2 B 2.819 ambi=2 { CB:38.457 } :: atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 132 14N-HB3 B 2.722 ambi=2 { CB:38.457 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 131 14N-HB2 B 2.819 ambi=2 { CB:38.457 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 132 14N-HB3 B 2.722 ambi=2 { CB:38.457 } ::sumAvg: 4.24 atom: 131 14N-HB2 B 2.819 ambi=2 { CB:38.457 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 132 14N-HB3 B 2.722 ambi=2 { CB:38.457 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 131 14N-HB2 B 2.819 ambi=2 { CB:38.457 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } :: atom: 132 14N-HB3 B 2.722 ambi=2 { CB:38.457 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.24 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 4.515 atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.635 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.94 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.81 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 4.66 atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } :: atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.675 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 4.675 atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } atom: 122 13V-HG2 G2 0.583 ambi=2 { CG2:21.624 } :: atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } :: atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } atom: 2045 13V-HG1 G1 0.231 ambi=2 { CG1:23.019 } ::sumAvg: 3.65 atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } ::sumAvg: 4.955 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 129 14N-H N 7.84 ambi=1 { N:115.865 } ::sumAvg: 4.62 atom: 130 14N-HA A 4.426 ambi=1 { CA:54.893 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 3.425 atom: 130 14N-HA A 4.426 ambi=1 { CA:54.893 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } ::sumAvg: 4.615 atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } atom: 130 14N-HA A 4.426 ambi=1 { CA:54.893 } ::sumAvg: 4.615 atom: 130 14N-HA A 4.426 ambi=1 { CA:54.893 } atom: 145 16I-H N 7.152 ambi=1 { N:120.31 } ::sumAvg: 4.145 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 4.69 atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } atom: 137 15N-H N 7.613 ambi=1 { N:117.294 } ::sumAvg: 4.44 atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.59 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } ::sumAvg: 4.59 atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } :: atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } ::sumAvg: 4.77 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } ::sumAvg: 4.77 atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } :: atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } ::sumAvg: 4.69 atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } :: atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } atom: 138 15N-HA A 4.873 ambi=1 { CA:53.041 } ::sumAvg: 4.69 atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.725 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } :: atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } ::sumAvg: 4.725 atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } :: atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } ::sumAvg: 4.975 atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } :: atom: 140 15N-HB3 B 2.689 ambi=2 { CB:40.315 } atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } :: atom: 139 15N-HB2 B 2.987 ambi=2 { CB:40.315 } atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } ::sumAvg: 4.655 atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } :: atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } ::sumAvg: 4.625 atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } :: atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } ::sumAvg: 4.625 atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } :: atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } ::sumAvg: 3.955 atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 562 58Q-HG2 G 2.554 ambi=2 { CG:34.585 } ::sumAvg: 3.425 atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } atom: 2078 58Q-HE21 E2 7.66 ambi=2 { NE2:109.5 } :: atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } atom: 2079 58Q-HE22 E2 7.35 ambi=2 { NE2:109.5 } :: atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 2078 58Q-HE21 E2 7.66 ambi=2 { NE2:109.5 } :: atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 2079 58Q-HE22 E2 7.35 ambi=2 { NE2:109.5 } ::sumAvg: 4.565 atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } atom: 145 16I-H N 7.152 ambi=1 { N:120.31 } :: atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } atom: 145 16I-H N 7.152 ambi=1 { N:120.31 } ::sumAvg: 4.945 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 145 16I-H N 7.152 ambi=1 { N:120.31 } ::sumAvg: 4.585 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } ::sumAvg: 4.42 atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.42 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.62 atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } :: atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.07 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.36 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } ::sumAvg: 4.955 atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.955 atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.865 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 146 16I-HA A 4.178 ambi=1 { CA:62.731 } ::sumAvg: 4.865 atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } ::sumAvg: 2.43 atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } ::sumAvg: 4.97 atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 3.08 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } ::sumAvg: 3.08 atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.76 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } ::sumAvg: 4.76 atom: 147 16I-HB B 1.722 ambi=1 { CB:38.129 } atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } ::sumAvg: 4.545 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 2.33 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } ::sumAvg: 4.62 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.7 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.61 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } ::sumAvg: 4.61 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } ::sumAvg: 4.475 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } ::sumAvg: 4.475 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.225 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } :: atom: 3006 16I-HG13 G1 1.005 ambi=2 { CG1:27.588 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 3.5 atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 3.765 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 148 16I-HG12 G1 1.991 ambi=2 { CG1:27.588 } ::sumAvg: 3.765 atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 3.575 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 4.625 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 170 18L-H N 8.978 ambi=1 { N:127.698 } ::sumAvg: 4.69 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.28 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 4.28 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 3.995 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 3.845 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 3.845 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } ::sumAvg: 3.44 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 3.555 atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 3.555 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 4.46 atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } ::sumAvg: 4.545 atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 149 16I-HG2 G2 0.854 ambi=1 { CG2:17.534 } ::sumAvg: 4.545 atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } ::sumAvg: 4.68 atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } ::sumAvg: 4.68 atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 4.78 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } ::sumAvg: 4.78 atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } ::sumAvg: 4.835 atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } ::sumAvg: 4.835 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 3007 16I-HD1 D1 0.702 ambi=1 { CD1:15.766 } ::sumAvg: 4.315 atom: 162 17R-HD2 D 3.265 ambi=2 { CD:43.446 } atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } :: atom: 163 17R-HD3 D 3.398 ambi=2 { CD:43.446 } atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } ::sumAvg: 4.345 atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } atom: 157 17R-H N 8.62 ambi=1 { N:125.075 } ::sumAvg: 4.745 atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.33 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } ::sumAvg: 4.33 atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.25 atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 182 19K-H N 8.452 ambi=1 { N:120.284 } ::sumAvg: 4.1 atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } ::sumAvg: 4.895 atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.85 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 158 17R-HA A 4.788 ambi=1 { CA:54.765 } ::sumAvg: 4.85 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.78 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } :: atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } ::sumAvg: 4.78 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } ::sumAvg: 4.525 atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } :: atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } ::sumAvg: 4.525 atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } ::sumAvg: 4.385 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 187 19K-HG3 G 1.289 ambi=2 { CG:26.156 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 187 19K-HG3 G 1.289 ambi=2 { CG:26.156 } ::sumAvg: 4.735 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } ::sumAvg: 4.65 atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } :: atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } ::sumAvg: 4.65 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 4.675 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } :: atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } ::sumAvg: 4.675 atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } :: atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } ::sumAvg: 3.82 atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 159 17R-HB2 B 2.043 ambi=2 { CB:35.05 } :: atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 160 17R-HB3 B 1.805 ambi=2 { CB:35.05 } ::sumAvg: 3.82 atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } atom: 170 18L-H N 8.978 ambi=1 { N:127.698 } :: atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } atom: 170 18L-H N 8.978 ambi=1 { N:127.698 } ::sumAvg: 4.47 atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } :: atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } ::sumAvg: 4.63 atom: 161 17R-HG2 G 1.762 ambi=2 { CG:27.411 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } :: atom: 2043 17R-HG3 G 1.711 ambi=2 { CG:27.411 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } ::sumAvg: 4.91 atom: 162 17R-HD2 D 3.265 ambi=2 { CD:43.446 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } :: atom: 163 17R-HD3 D 3.398 ambi=2 { CD:43.446 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } ::sumAvg: 4.635 atom: 162 17R-HD2 D 3.265 ambi=2 { CD:43.446 } atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } :: atom: 163 17R-HD3 D 3.398 ambi=2 { CD:43.446 } atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } ::sumAvg: 3.58 atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } atom: 162 17R-HD2 D 3.265 ambi=2 { CD:43.446 } :: atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } atom: 163 17R-HD3 D 3.398 ambi=2 { CD:43.446 } ::sumAvg: 3.58 atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } atom: 170 18L-H N 8.978 ambi=1 { N:127.698 } :: atom: 185 19K-HB3 B 2.065 ambi=2 { CB:30.938 } atom: 170 18L-H N 8.978 ambi=1 { N:127.698 } ::sumAvg: 4.76 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 170 18L-H N 8.978 ambi=1 { N:127.698 } ::sumAvg: 4.84 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } ::sumAvg: 4.485 atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.485 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 204 21T-H N 8.623 ambi=1 { N:111.699 } ::sumAvg: 4.83 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.155 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.155 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.785 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } ::sumAvg: 4.685 atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.685 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.14 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.335 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.35 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.35 atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.695 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 171 18L-HA A 3.663 ambi=1 { CA:55.735 } ::sumAvg: 4.695 atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } :: atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } ::sumAvg: 4.8 atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } :: atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } :: atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 185 19K-HB3 B 2.065 ambi=2 { CB:30.938 } ::sumAvg: 4.605 atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } :: atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } :: atom: 185 19K-HB3 B 2.065 ambi=2 { CB:30.938 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } ::sumAvg: 4.605 atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } atom: 187 19K-HG3 G 1.289 ambi=2 { CG:26.156 } :: atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 186 19K-HG2 G 1.8 ambi=2 { CG:26.156 } ::sumAvg: 4.88 atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } :: atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } ::sumAvg: 4.66 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } :: atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } ::sumAvg: 4.66 atom: 172 18L-HB2 B 1.714 ambi=2 { CB:42.275 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } :: atom: 173 18L-HB3 B 1.071 ambi=2 { CB:42.275 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } ::sumAvg: 4.44 atom: 174 18L-HG G 1.58 ambi=1 { CG:27.049 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.875 atom: 174 18L-HG G 1.58 ambi=1 { CG:27.049 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.25 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 174 18L-HG G 1.58 ambi=1 { CG:27.049 } ::sumAvg: 4.25 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.555 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.83 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 3.605 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } ::sumAvg: 4.675 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.675 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.17 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 4.775 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.68 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.45 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } ::sumAvg: 4.615 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } ::sumAvg: 4.615 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } ::sumAvg: 4.315 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 817 86L-HG G 0.84 ambi=1 { CG:26.7 } ::sumAvg: 3.86 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.63 atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.45 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 988 103L-HB2 B 1.923 ambi=2 { CB:46.915 } :: atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 989 103L-HB3 B 1.258 ambi=2 { CB:46.915 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 988 103L-HB2 B 1.923 ambi=2 { CB:46.915 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 989 103L-HB3 B 1.258 ambi=2 { CB:46.915 } ::sumAvg: 4.29 atom: 988 103L-HB2 B 1.923 ambi=2 { CB:46.915 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 989 103L-HB3 B 1.258 ambi=2 { CB:46.915 } atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } :: atom: 988 103L-HB2 B 1.923 ambi=2 { CB:46.915 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } :: atom: 989 103L-HB3 B 1.258 ambi=2 { CB:46.915 } atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } ::sumAvg: 4.29 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } ::sumAvg: 4.705 atom: 175 18L-HD1 D1 0.423 ambi=2 { CD1:26.169 } atom: 1011 105V-HB B 2.27 ambi=1 { CB:35.188 } :: atom: 2099 18L-HD2 D2 0.572 ambi=2 { CD2:24.731 } atom: 1011 105V-HB B 2.27 ambi=1 { CB:35.188 } ::sumAvg: 3.695 atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } atom: 182 19K-H N 8.452 ambi=1 { N:120.284 } ::sumAvg: 4.62 atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } atom: 182 19K-H N 8.452 ambi=1 { N:120.284 } ::sumAvg: 4.075 atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } :: atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } ::sumAvg: 4.61 atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } :: atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } atom: 183 19K-HA A 4.405 ambi=1 { CA:60.471 } ::sumAvg: 4.61 atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } :: atom: 185 19K-HB3 B 2.065 ambi=2 { CB:30.938 } atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } ::sumAvg: 4.38 atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } atom: 184 19K-HB2 B 2.378 ambi=2 { CB:30.938 } :: atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } atom: 185 19K-HB3 B 2.065 ambi=2 { CB:30.938 } ::sumAvg: 4.38 atom: 185 19K-HB3 B 2.065 ambi=2 { CB:30.938 } atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } ::sumAvg: 4.67 atom: 186 19K-HG2 G 1.8 ambi=2 { CG:26.156 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } :: atom: 187 19K-HG3 G 1.289 ambi=2 { CG:26.156 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } ::sumAvg: 3.61 atom: 188 19K-QD D 1.77 ambi=2 { CD:29.741 } atom: 196 20D-H N 7.608 ambi=1 { N:117.462 } ::sumAvg: 4.485 atom: 188 19K-QD D 1.77 ambi=2 { CD:29.741 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } ::sumAvg: 4.7 atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } atom: 204 21T-H N 8.623 ambi=1 { N:111.699 } ::sumAvg: 3.55 atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 4.695 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 197 20D-HA A 4.645 ambi=1 { CA:56.198 } ::sumAvg: 4.695 atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 3.84 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } ::sumAvg: 3.84 atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } ::sumAvg: 4.645 atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 198 20D-QB B 2.677 ambi=2 { CB:43.08 } ::sumAvg: 4.645 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 204 21T-H N 8.623 ambi=1 { N:111.699 } ::sumAvg: 4.98 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } ::sumAvg: 3.575 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 4.565 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 4.565 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.72 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } ::sumAvg: 3.56 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 3.56 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } ::sumAvg: 4.9 atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } ::sumAvg: 4.175 atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } atom: 205 21T-HA A 4.164 ambi=1 { CA:65.596 } ::sumAvg: 4.175 atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 4.71 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } ::sumAvg: 4.71 atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.235 atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } :: atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } ::sumAvg: 4.615 atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 206 21T-HB B 4.269 ambi=1 { CB:68.46 } ::sumAvg: 4.615 atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } ::sumAvg: 4.94 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 213 22F-H N 7.606 ambi=1 { N:113.721 } ::sumAvg: 4.33 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 3.255 atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } :: atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 4.425 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.91 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 4.91 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } ::sumAvg: 3.25 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } ::sumAvg: 3.25 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } ::sumAvg: 3.14 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } ::sumAvg: 4.02 atom: 214 22F-HA A 5.11 ambi=1 { CA:55.345 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } ::sumAvg: 4.245 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } :: atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } ::sumAvg: 4.645 atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } :: atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.645 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } ::sumAvg: 4.285 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } ::sumAvg: 4.98 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 229 24F-H N 8.944 ambi=1 { N:114.948 } ::sumAvg: 4.66 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.565 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.885 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } ::sumAvg: 4.65 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.65 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.845 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } ::sumAvg: 4.095 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 519 54Q-H N 9.235 ambi=1 { N:127.228 } ::sumAvg: 4.87 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 4.51 atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.51 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } ::sumAvg: 4.695 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } ::sumAvg: 4.445 atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.445 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } ::sumAvg: 4.505 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 4.505 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } ::sumAvg: 4.08 atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 3.855 atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 215 22F-QB B 2.95 ambi=2 { CB:41.126 } ::sumAvg: 3.855 atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.615 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.73 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.67 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 3.6 atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.525 atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.125 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 3069 22F-QD D 6.993 ambi=3 { CD1:131.96 } ::sumAvg: 4.125 atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 4.735 atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 4.88 atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 4.355 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 3.905 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 221 23D-H N 9.045 ambi=1 { N:121.321 } ::sumAvg: 4.195 atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } ::sumAvg: 4.44 atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } ::sumAvg: 4.44 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } ::sumAvg: 4.435 atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.04 atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } :: atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } ::sumAvg: 4.97 atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } :: atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } atom: 222 23D-HA A 4.787 ambi=1 { CA:53.871 } ::sumAvg: 4.97 atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } :: atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } ::sumAvg: 4.79 atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } ::sumAvg: 3.49 atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } ::sumAvg: 3.49 atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } ::sumAvg: 4.84 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } ::sumAvg: 4.84 atom: 223 23D-HB2 B 2.961 ambi=2 { CB:47.85 } atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } :: atom: 224 23D-HB3 B 2.511 ambi=2 { CB:47.85 } atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } ::sumAvg: 4.44 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 229 24F-H N 8.944 ambi=1 { N:114.948 } ::sumAvg: 4.99 atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.925 atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } ::sumAvg: 4.46 atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } ::sumAvg: 4.46 atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } :: atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } ::sumAvg: 3.815 atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } :: atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } ::sumAvg: 3.815 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } :: atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } ::sumAvg: 4.57 atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.02 atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } :: atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } ::sumAvg: 4.225 atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } :: atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } atom: 230 24F-HA A 6.087 ambi=1 { CA:56.319 } ::sumAvg: 4.225 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 237 25K-H N 9.098 ambi=1 { N:118.505 } ::sumAvg: 3.05 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } ::sumAvg: 4.295 atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 4.295 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 3.71 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } ::sumAvg: 4.515 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 3.605 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } ::sumAvg: 4.535 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } ::sumAvg: 3.5 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 3.5 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } :: atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } ::sumAvg: 3.86 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } :: atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 3.86 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 3.95 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } ::sumAvg: 4.615 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.74 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 4.74 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.09 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 4.09 atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.975 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 231 24F-QB B 2.95 ambi=2 { CB:43.62 } ::sumAvg: 4.975 atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.525 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.58 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.03 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } :: atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.355 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.135 atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 4.89 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 3080 24F-QD D 7.099 ambi=3 { CD1:132.3 CD2:132.06 } ::sumAvg: 3.945 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.665 atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.98 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.62 atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.12 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 3.65 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 3081 24F-QE E 6.808 ambi=3 { CE1:132.06 CE2:132.5 } ::sumAvg: 4.78 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 237 25K-H N 9.098 ambi=1 { N:118.505 } ::sumAvg: 4.415 atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } atom: 237 25K-H N 9.098 ambi=1 { N:118.505 } ::sumAvg: 4.79 atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } atom: 237 25K-H N 9.098 ambi=1 { N:118.505 } ::sumAvg: 4.57 atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } :: atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } ::sumAvg: 4.42 atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } ::sumAvg: 4.36 atom: 238 25K-HA A 4.713 ambi=1 { CA:54.61 } atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } ::sumAvg: 4.95 atom: 239 25K-HB2 B 1.853 ambi=2 { CB:37.004 } atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } :: atom: 240 25K-HB3 B 1.714 ambi=2 { CB:37.004 } atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } ::sumAvg: 4.865 atom: 239 25K-HB2 B 1.853 ambi=2 { CB:37.004 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } :: atom: 240 25K-HB3 B 1.714 ambi=2 { CB:37.004 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.95 atom: 240 25K-HB3 B 1.714 ambi=2 { CB:37.004 } atom: 284 30P-HB2 B 2.218 ambi=2 { CB:31.935 } ::sumAvg: 4.605 atom: 239 25K-HB2 B 1.853 ambi=2 { CB:37.004 } atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } :: atom: 240 25K-HB3 B 1.714 ambi=2 { CB:37.004 } atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } ::sumAvg: 4.84 atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } :: atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } ::sumAvg: 4.52 atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } :: atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } :: atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } :: atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } ::sumAvg: 4.285 atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } :: atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } ::sumAvg: 4.815 atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } atom: 3026 25K-HG2 G 1.45 ambi=2 { CG:24.514 } :: atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } atom: 3027 25K-HG3 G 1.381 ambi=2 { CG:24.514 } ::sumAvg: 4.815 atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } atom: 248 26L-H N 9.93 ambi=1 { N:125.25 } ::sumAvg: 3.17 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 248 26L-H N 9.93 ambi=1 { N:125.25 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 248 26L-H N 9.93 ambi=1 { N:125.25 } ::sumAvg: 4.27 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 248 26L-H N 9.93 ambi=1 { N:125.25 } ::sumAvg: 4.515 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } ::sumAvg: 2.795 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } ::sumAvg: 4.39 atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } ::sumAvg: 4.39 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } ::sumAvg: 4.105 atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } ::sumAvg: 4.105 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } ::sumAvg: 4.13 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } ::sumAvg: 4.24 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 3.615 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 4.43 atom: 249 26L-HA A 5.019 ambi=1 { CA:54.22 } atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } ::sumAvg: 3.985 atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } :: atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } ::sumAvg: 4.9 atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } :: atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } ::sumAvg: 4.9 atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } :: atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.43 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } :: atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } ::sumAvg: 4.43 atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } :: atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } ::sumAvg: 4.59 atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } :: atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } ::sumAvg: 4.91 atom: 250 26L-HB2 B 2.098 ambi=2 { CB:42.138 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } :: atom: 251 26L-HB3 B 1.887 ambi=2 { CB:42.138 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.04 atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } ::sumAvg: 4.395 atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } ::sumAvg: 4.775 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } ::sumAvg: 4.1 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } ::sumAvg: 4.95 atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.005 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } ::sumAvg: 4.005 atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } ::sumAvg: 4.84 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 252 26L-HG G 1.212 ambi=1 { CG:26.643 } ::sumAvg: 4.84 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } ::sumAvg: 3.99 atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 3.685 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } ::sumAvg: 3.685 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.96 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.96 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.005 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } ::sumAvg: 4.26 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 4.315 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.315 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.79 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 4.09 atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.09 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 2.55 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 2.55 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.535 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } ::sumAvg: 4.375 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 4.12 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.12 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 3.01 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 3.92 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } ::sumAvg: 4.485 atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.485 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 4.11 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } ::sumAvg: 3.85 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.245 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } ::sumAvg: 4.325 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.74 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } ::sumAvg: 4.74 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.475 atom: 253 26L-QD D 1.138 ambi=2 { QCD:25.832 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 3.375 atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } ::sumAvg: 4.48 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } ::sumAvg: 4.635 atom: 456 48Q-HB2 B 2.051 ambi=2 { CB:28.192 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } :: atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } ::sumAvg: 4.5 atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } ::sumAvg: 4.98 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 262 27A-H N 8.01 ambi=1 { N:128.008 } ::sumAvg: 4.42 atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } ::sumAvg: 4.925 atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } ::sumAvg: 4.925 atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } ::sumAvg: 4.59 atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } ::sumAvg: 4.59 atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } ::sumAvg: 4.07 atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 263 27A-HA A 3.897 ambi=1 { CA:54.465 } ::sumAvg: 4.07 atom: 270 28A-HA A 3.736 ambi=1 { CA:53.417 } atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } ::sumAvg: 3.92 atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } ::sumAvg: 4.985 atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } :: atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } ::sumAvg: 4.985 atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.31 atom: 455 48Q-HA A 3.858 ambi=1 { CA:57.37 } atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } ::sumAvg: 4.555 atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } atom: 470 50I-H N 8.845 ambi=1 { N:125.81 } ::sumAvg: 4.83 atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } ::sumAvg: 4.285 atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } atom: 264 27A-HB B 1.208 ambi=1 { CB:17.955 } ::sumAvg: 4.285 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } ::sumAvg: 4.96 atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } :: atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } ::sumAvg: 4.54 atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } ::sumAvg: 4.835 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 269 28A-H N 8.32 ambi=1 { N:114.273 } ::sumAvg: 3.955 atom: 270 28A-HA A 3.736 ambi=1 { CA:53.417 } atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } ::sumAvg: 3.46 atom: 270 28A-HA A 3.736 ambi=1 { CA:53.417 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.56 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 270 28A-HA A 3.736 ambi=1 { CA:53.417 } ::sumAvg: 4.56 atom: 270 28A-HA A 3.736 ambi=1 { CA:53.417 } atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } ::sumAvg: 4.96 atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.2 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } ::sumAvg: 4.2 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } ::sumAvg: 4.155 atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 4.925 atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } ::sumAvg: 3.425 atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } atom: 271 28A-HB B 0.572 ambi=1 { CB:19.771 } ::sumAvg: 3.425 atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } ::sumAvg: 4.485 atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } ::sumAvg: 4.7 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 276 29F-H N 7.043 ambi=1 { N:112.267 } ::sumAvg: 4.78 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } ::sumAvg: 4.695 atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.695 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } ::sumAvg: 4.09 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 302 32Q-H N 7.227 ambi=1 { N:117.758 } ::sumAvg: 4.73 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } ::sumAvg: 4.34 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.34 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } ::sumAvg: 4.48 atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } ::sumAvg: 4.48 atom: 277 29F-HA A 5.242 ambi=1 { CA:53.623 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.755 atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } ::sumAvg: 4.455 atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } :: atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } ::sumAvg: 4.455 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 294 31N-H N 8.699 ambi=1 { N:115.305 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 294 31N-H N 8.699 ambi=1 { N:115.305 } ::sumAvg: 4.17 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 302 32Q-H N 7.227 ambi=1 { N:117.758 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 302 32Q-H N 7.227 ambi=1 { N:117.758 } ::sumAvg: 3.8 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } ::sumAvg: 3.995 atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } :: atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } ::sumAvg: 3.995 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 4.625 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 2.79 atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } :: atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.965 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 278 29F-HB2 B 3.177 ambi=2 { CB:41.253 } :: atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 279 29F-HB3 B 2.812 ambi=2 { CB:41.253 } ::sumAvg: 4.965 atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } :: atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } ::sumAvg: 4.55 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 3091 29F-QD D 7.12 ambi=3 { CD1:133.2 } ::sumAvg: 4.33 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } ::sumAvg: 4.34 atom: 392 41Q-HG2 G 2.487 ambi=2 { CG:36.2 } atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } :: atom: 2066 41Q-HG3 G 2.348 ambi=2 { CG:36.2 } atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } ::sumAvg: 3.69 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } ::sumAvg: 4.9 atom: 421 44K-HB2 B 2.05 ambi=2 { CB:34.018 } atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } :: atom: 422 44K-HB3 B 2.009 ambi=2 { CB:34.018 } atom: 3092 29F-QE E 7.11 ambi=3 { CE1:130.2 } ::sumAvg: 4.84 atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } ::sumAvg: 3.17 atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } :: atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } ::sumAvg: 3.63 atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } ::sumAvg: 4.57 atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } ::sumAvg: 4.57 atom: 283 30P-HA A 4.384 ambi=1 { CA:64.889 } atom: 302 32Q-H N 7.227 ambi=1 { N:117.758 } ::sumAvg: 4.315 atom: 284 30P-HB2 B 2.218 ambi=2 { CB:31.935 } atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } :: atom: 285 30P-HB3 B 1.915 ambi=2 { CB:31.935 } atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } ::sumAvg: 4.445 atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } atom: 284 30P-HB2 B 2.218 ambi=2 { CB:31.935 } :: atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } atom: 285 30P-HB3 B 1.915 ambi=2 { CB:31.935 } ::sumAvg: 4.445 atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } atom: 284 30P-HB2 B 2.218 ambi=2 { CB:31.935 } :: atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } atom: 284 30P-HB2 B 2.218 ambi=2 { CB:31.935 } :: atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } atom: 285 30P-HB3 B 1.915 ambi=2 { CB:31.935 } :: atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } atom: 285 30P-HB3 B 1.915 ambi=2 { CB:31.935 } ::sumAvg: 4.48 atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } :: atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } atom: 286 30P-QG G 1.989 ambi=2 { CG:27.3 } ::sumAvg: 4.37 atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } :: atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } :: atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } :: atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } ::sumAvg: 4.81 atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } atom: 288 30P-HD2 D 3.574 ambi=2 { CD:49.74 } :: atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } :: atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } atom: 2086 30P-HD3 D 3.477 ambi=2 { CD:49.74 } ::sumAvg: 4.81 atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } ::sumAvg: 4.975 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } ::sumAvg: 4.975 atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } ::sumAvg: 4.94 atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } atom: 295 31N-HA A 4.785 ambi=1 { CA:53.234 } ::sumAvg: 4.94 atom: 296 31N-HB2 B 2.98 ambi=2 { CB:38.9 } atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } :: atom: 297 31N-HB3 B 2.791 ambi=2 { CB:38.9 } atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } ::sumAvg: 4.785 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 302 32Q-H N 7.227 ambi=1 { N:117.758 } ::sumAvg: 4.67 atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } atom: 314 33N-HB2 B 2.801 ambi=2 { CB:40.28 } :: atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } atom: 315 33N-HB3 B 2.617 ambi=2 { CB:40.28 } ::sumAvg: 4.625 atom: 303 32Q-HA A 4.585 ambi=1 { CA:55.371 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.735 atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } ::sumAvg: 4.295 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } ::sumAvg: 4.97 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } ::sumAvg: 4.965 atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } ::sumAvg: 4.965 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } ::sumAvg: 3.945 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 3.84 atom: 304 32Q-QB B 1.9 ambi=2 { CB:31.85 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 2.62 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } ::sumAvg: 4.14 atom: 306 32Q-QG G 2.25 ambi=2 { CG:34.97 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.03 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } ::sumAvg: 4.98 atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } :: atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } ::sumAvg: 4.065 atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } ::sumAvg: 4.69 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 312 33N-H N 8.692 ambi=1 { N:120.622 } ::sumAvg: 4.41 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } ::sumAvg: 4.525 atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.705 atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } ::sumAvg: 3.94 atom: 313 33N-HA A 4.591 ambi=1 { CA:51.572 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 4.715 atom: 314 33N-HB2 B 2.801 ambi=2 { CB:40.28 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } :: atom: 315 33N-HB3 B 2.617 ambi=2 { CB:40.28 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 4.61 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 314 33N-HB2 B 2.801 ambi=2 { CB:40.28 } :: atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 315 33N-HB3 B 2.617 ambi=2 { CB:40.28 } ::sumAvg: 4.61 atom: 314 33N-HB2 B 2.801 ambi=2 { CB:40.28 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } :: atom: 315 33N-HB3 B 2.617 ambi=2 { CB:40.28 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 3.03 atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 314 33N-HB2 B 2.801 ambi=2 { CB:40.28 } ::sumAvg: 3.435 atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } atom: 2013 33N-HD21 D2 7.77 ambi=2 { ND2:113.8 } :: atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } atom: 2013 33N-HD21 D2 7.77 ambi=2 { ND2:113.8 } :: atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } atom: 2014 33N-HD22 D2 6.86 ambi=2 { ND2:113.8 } :: atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } atom: 2014 33N-HD22 D2 6.86 ambi=2 { ND2:113.8 } ::sumAvg: 4.84 atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 2013 33N-HD21 D2 7.77 ambi=2 { ND2:113.8 } :: atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 2014 33N-HD22 D2 6.86 ambi=2 { ND2:113.8 } ::sumAvg: 4.53 atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } :: atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } ::sumAvg: 4.86 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 320 34Y-H N 7.328 ambi=1 { N:117.43 } ::sumAvg: 4.905 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 3.85 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } ::sumAvg: 3.75 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 4.445 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.42 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 3.42 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 3.965 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 3.965 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 2.82 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } ::sumAvg: 2.82 atom: 321 34Y-HA A 4.225 ambi=1 { CA:60.2 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.555 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } ::sumAvg: 4.425 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } ::sumAvg: 4.775 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.965 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } ::sumAvg: 4.965 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.65 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.855 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } ::sumAvg: 4.855 atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 4.835 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 322 34Y-HB2 B 2.756 ambi=2 { CB:37.54 } :: atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 323 34Y-HB3 B 2.58 ambi=2 { CB:37.54 } ::sumAvg: 4.835 atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } :: atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.94 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.795 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.72 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 3.37 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.935 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.705 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 3135 34Y-QD D 6.806 ambi=3 { CD1:132.06 } ::sumAvg: 4.165 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } ::sumAvg: 4.495 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } ::sumAvg: 4.945 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } ::sumAvg: 4.815 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 3136 34Y-QE E 6.124 ambi=3 { CE1:118.609 } ::sumAvg: 4.595 atom: 337 36Q-HA A 4.419 ambi=1 { CA:54.91 } atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } ::sumAvg: 4.915 atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } :: atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } ::sumAvg: 4.53 atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 328 35D-H N 7.944 ambi=1 { N:109.804 } ::sumAvg: 4.01 atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 3.35 atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } ::sumAvg: 4.82 atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } ::sumAvg: 4.41 atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } ::sumAvg: 4.935 atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } ::sumAvg: 4.935 atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.69 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 329 35D-HA A 4.351 ambi=1 { CA:54.95 } ::sumAvg: 4.69 atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } atom: 337 36Q-HA A 4.419 ambi=1 { CA:54.91 } :: atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } atom: 337 36Q-HA A 4.419 ambi=1 { CA:54.91 } ::sumAvg: 4.735 atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } ::sumAvg: 3.93 atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } ::sumAvg: 3.93 atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } :: atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } :: atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } :: atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } ::sumAvg: 4.85 atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 330 35D-HB2 B 2.863 ambi=2 { CB:39.48 } :: atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 331 35D-HB3 B 2.549 ambi=2 { CB:39.48 } ::sumAvg: 4.735 atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 4.735 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 3.895 atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 4.955 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 4.575 atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 336 36Q-H N 7.83 ambi=1 { N:116.1 } ::sumAvg: 4.77 atom: 337 36Q-HA A 4.419 ambi=1 { CA:54.91 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 4.965 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 337 36Q-HA A 4.419 ambi=1 { CA:54.91 } ::sumAvg: 4.965 atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } :: atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } ::sumAvg: 4.485 atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } :: atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } ::sumAvg: 4.485 atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } :: atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 4.245 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } :: atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } ::sumAvg: 4.245 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 338 36Q-HB2 B 2.399 ambi=2 { CB:31.008 } :: atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 339 36Q-HB3 B 2.148 ambi=2 { CB:31.008 } ::sumAvg: 4.41 atom: 340 36Q-QG G 2.366 ambi=2 { CG:34.871 } atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } ::sumAvg: 4.47 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } ::sumAvg: 3.95 atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 346 37L-H N 7.766 ambi=1 { N:122.471 } ::sumAvg: 4.75 atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 3.275 atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 1.945 atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } :: atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } ::sumAvg: 4.605 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } ::sumAvg: 4.605 atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 4.885 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 347 37L-HA A 4.567 ambi=1 { CA:53.073 } ::sumAvg: 4.885 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 1.995 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 4.7 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 3.965 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } ::sumAvg: 4.81 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 4.325 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 4.325 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 2.575 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } ::sumAvg: 2.575 atom: 348 37L-QB B 0.89 ambi=2 { CB:45.05 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.625 atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } atom: 360 38L-H N 8.806 ambi=1 { N:123.422 } ::sumAvg: 3.735 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 4.26 atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.5 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 350 37L-HG G 0.71 ambi=1 { CG:25.52 } ::sumAvg: 3.5 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 3.85 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.85 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.575 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } ::sumAvg: 4.765 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.765 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 2.91 atom: 392 41Q-HG2 G 2.487 ambi=2 { CG:36.2 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } :: atom: 2066 41Q-HG3 G 2.348 ambi=2 { CG:36.2 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.72 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } ::sumAvg: 3.105 atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.105 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 3.645 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.645 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 2.39 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 2.39 atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 3.88 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 3.88 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 351 37L-QD D -0.044 ambi=2 { QCD:22.35 } ::sumAvg: 4.94 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 360 38L-H N 8.806 ambi=1 { N:123.422 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 360 38L-H N 8.806 ambi=1 { N:123.422 } ::sumAvg: 3.205 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.88 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 4.88 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.745 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 4.745 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 4.73 atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 4.73 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.87 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 2.765 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } ::sumAvg: 4.7 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 4.7 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } ::sumAvg: 2.84 atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 2.84 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 392 41Q-HG2 G 2.487 ambi=2 { CG:36.2 } :: atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 2066 41Q-HG3 G 2.348 ambi=2 { CG:36.2 } ::sumAvg: 3.435 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } ::sumAvg: 4.29 atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 4.305 atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 361 38L-QB B 1.667 ambi=2 { CB:42.4 } ::sumAvg: 4.305 atom: 363 38L-HG G 0.88 ambi=1 { CG:25.94 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.6 atom: 363 38L-HG G 0.88 ambi=1 { CG:25.94 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 4.14 atom: 363 38L-HG G 0.88 ambi=1 { CG:25.94 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } ::sumAvg: 4.095 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 363 38L-HG G 0.88 ambi=1 { CG:25.94 } ::sumAvg: 4.095 atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } atom: 363 38L-HG G 0.88 ambi=1 { CG:25.94 } :: atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } atom: 363 38L-HG G 0.88 ambi=1 { CG:25.94 } ::sumAvg: 4.605 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.455 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.455 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.73 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.73 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 4.395 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.395 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } ::sumAvg: 4.31 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 4.62 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } :: atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } ::sumAvg: 4.845 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.845 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.09 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.09 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.395 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 3.63 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 3.63 atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } :: atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } ::sumAvg: 4.79 atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } :: atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } atom: 3001 38L-HA A 4.576 ambi=1 { CA:53.34 } ::sumAvg: 4.79 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 3.36 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 3.36 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } ::sumAvg: 3.55 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } ::sumAvg: 4.77 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.77 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 4.36 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } ::sumAvg: 3.615 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.525 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 3.545 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.72 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 3.72 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 3.785 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.75 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.75 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 3.975 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } ::sumAvg: 4.575 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.39 atom: 372 39P-HA A 3.77 ambi=1 { CA:66.56 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.545 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } ::sumAvg: 4.03 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.03 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.295 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 4.755 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 4.765 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.765 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.78 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.44 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.44 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } ::sumAvg: 3.9 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 3.36 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } ::sumAvg: 4.825 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } ::sumAvg: 4.875 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.875 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 3.095 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 4.845 atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.845 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } ::sumAvg: 4.57 atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 4.57 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 3.32 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 3.32 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 2.365 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } ::sumAvg: 2.365 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.37 atom: 373 39P-QB B 2.39 ambi=2 { CB:32 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.925 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 4.905 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 3.63 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 3.755 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 4.45 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 4.45 atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.05 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 4.05 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 3.265 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 3.265 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 3.58 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } ::sumAvg: 3.58 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 3.25 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.3 atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 4.33 atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 375 39P-HG3 G 1.72 ambi=2 { CG:28.05 } :: atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 3228 39P-HG2 G 2.24 ambi=2 { CG:28.05 } ::sumAvg: 4.33 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } ::sumAvg: 4.7 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } ::sumAvg: 4.84 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 381 40S-H N 9.189 ambi=1 { N:110.942 } ::sumAvg: 4.91 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 3.49 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } ::sumAvg: 4.74 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } ::sumAvg: 4.74 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } ::sumAvg: 4.535 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 3.58 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 3.39 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } ::sumAvg: 4.445 atom: 382 40S-HA A 5.043 ambi=1 { CA:61.72 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 4.32 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.875 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.235 atom: 3032 44K-QD D 1.767 ambi=2 { CD:29.328 } atom: 383 40S-QB B 3.943 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.21 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 4.92 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 388 41Q-H N 7.45 ambi=1 { N:121.997 } ::sumAvg: 4.73 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } ::sumAvg: 4.73 atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } ::sumAvg: 4.73 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.565 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } ::sumAvg: 3.87 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 421 44K-HB2 B 2.05 ambi=2 { CB:34.018 } :: atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 422 44K-HB3 B 2.009 ambi=2 { CB:34.018 } ::sumAvg: 3.48 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 3030 44K-HG2 G 1.99 ambi=2 { CG:26.68 } :: atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 3031 44K-HG3 G 1.693 ambi=2 { CG:26.68 } ::sumAvg: 4.385 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 3032 44K-QD D 1.767 ambi=2 { CD:29.328 } ::sumAvg: 3.96 atom: 389 41Q-HA A 4.285 ambi=1 { CA:59 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 4.855 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } ::sumAvg: 4.34 atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 4.53 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } ::sumAvg: 4.53 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.225 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } :: atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } ::sumAvg: 4.225 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 4.91 atom: 390 41Q-HB2 B 1.958 ambi=2 { CB:29.976 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } :: atom: 391 41Q-HB3 B 2.458 ambi=2 { CB:29.976 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.975 atom: 392 41Q-HG2 G 2.487 ambi=2 { CG:36.2 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } :: atom: 2066 41Q-HG3 G 2.348 ambi=2 { CG:36.2 } atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } ::sumAvg: 4.92 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 398 42I-H N 7.416 ambi=1 { N:120.598 } ::sumAvg: 4.31 atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 3.515 atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } ::sumAvg: 4.385 atom: 399 42I-HA A 3.517 ambi=1 { CA:65.21 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 3.755 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 2.37 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.93 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 4.93 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.685 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } ::sumAvg: 4.685 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.78 atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 400 42I-HB B 1.613 ambi=1 { CB:37.448 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 3.18 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.065 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.975 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.975 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.415 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.73 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.09 atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 4.38 atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 401 42I-QG1 G1 0.806 ambi=2 { CG1:29.324 } ::sumAvg: 4.38 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 3.94 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 3.94 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } ::sumAvg: 4.765 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.365 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 4.95 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 4.43 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 4.43 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 3.685 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 3.685 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 3 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 4.67 atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 3.77 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 403 42I-HG2 G2 0.596 ambi=1 { CG2:14.738 } ::sumAvg: 3.77 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.67 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 4.415 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.5 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 4.5 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 3.93 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } ::sumAvg: 3.93 atom: 404 42I-HD1 D1 -0.204 ambi=1 { CD1:15.555 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 3.57 atom: 421 44K-HB2 B 2.05 ambi=2 { CB:34.018 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } :: atom: 422 44K-HB3 B 2.009 ambi=2 { CB:34.018 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.96 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 411 43Y-H N 8.803 ambi=1 { N:120.164 } ::sumAvg: 4.495 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } ::sumAvg: 3.545 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } ::sumAvg: 4.76 atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.76 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 4.17 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 4.225 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.225 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } ::sumAvg: 4.025 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 2.665 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 2.665 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 3.285 atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 4.745 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 412 43Y-HA A 3.833 ambi=1 { CA:62.545 } ::sumAvg: 4.745 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } ::sumAvg: 4.165 atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.165 atom: 421 44K-HB2 B 2.05 ambi=2 { CB:34.018 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } :: atom: 422 44K-HB3 B 2.009 ambi=2 { CB:34.018 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 4.455 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 4.66 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 3.105 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 3.105 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.335 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 3.9 atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 3.785 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 413 43Y-QB B 3.251 ambi=2 { CB:39.973 } ::sumAvg: 3.785 atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 4.285 atom: 421 44K-HB2 B 2.05 ambi=2 { CB:34.018 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } :: atom: 422 44K-HB3 B 2.009 ambi=2 { CB:34.018 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 4.88 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 4.645 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 4.725 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 2.695 atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 4.02 atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 3145 43Y-QD D 6.552 ambi=3 { CD1:132.71 } ::sumAvg: 4.85 atom: 3032 44K-QD D 1.767 ambi=2 { CD:29.328 } atom: 419 44K-H N 8.01 ambi=1 { N:112.505 } ::sumAvg: 4.055 atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 3.415 atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } ::sumAvg: 4.68 atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } ::sumAvg: 4.68 atom: 420 44K-HA A 4.255 ambi=1 { CA:58.292 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 3.965 atom: 421 44K-HB2 B 2.05 ambi=2 { CB:34.018 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } :: atom: 422 44K-HB3 B 2.009 ambi=2 { CB:34.018 } atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } ::sumAvg: 4.41 atom: 3030 44K-HG2 G 1.99 ambi=2 { CG:26.68 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } :: atom: 3031 44K-HG3 G 1.693 ambi=2 { CG:26.68 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 4.245 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 430 45N-H N 7.343 ambi=1 { N:110.975 } ::sumAvg: 4.905 atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 3.295 atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } ::sumAvg: 3.42 atom: 431 45N-HA A 5.344 ambi=1 { CA:54.405 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } ::sumAvg: 4.855 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 3.36 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.335 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } ::sumAvg: 4.27 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 456 48Q-HB2 B 2.051 ambi=2 { CB:28.192 } :: atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } ::sumAvg: 3.83 atom: 456 48Q-HB2 B 2.051 ambi=2 { CB:28.192 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 3.83 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } :: atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } ::sumAvg: 4.61 atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } :: atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } :: atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } ::sumAvg: 4.61 atom: 432 45N-HB2 B 2.82 ambi=2 { CB:42.1 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } :: atom: 433 45N-HB3 B 2.444 ambi=2 { CB:42.1 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } ::sumAvg: 4.67 atom: 448 47Y-HB2 B 2.899 ambi=2 { CB:36.434 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } :: atom: 449 47Y-HB3 B 2.745 ambi=2 { CB:36.434 } atom: 438 46Y-H N 8.367 ambi=1 { N:123.444 } ::sumAvg: 4.97 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 447 47Y-HA A 4.079 ambi=1 { CA:59.325 } ::sumAvg: 4.675 atom: 447 47Y-HA A 4.079 ambi=1 { CA:59.325 } atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } ::sumAvg: 4.675 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } ::sumAvg: 4.045 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } ::sumAvg: 4.085 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } ::sumAvg: 4.5 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.105 atom: 439 46Y-HA A 5.35 ambi=1 { CA:61.422 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.305 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 447 47Y-HA A 4.079 ambi=1 { CA:59.325 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 447 47Y-HA A 4.079 ambi=1 { CA:59.325 } ::sumAvg: 4.69 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } ::sumAvg: 4.625 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 3.455 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } ::sumAvg: 3.93 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 3.93 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } ::sumAvg: 3.99 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 4.125 atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } :: atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } ::sumAvg: 4.125 atom: 440 46Y-HB2 B 2.98 ambi=2 { CB:36.26 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } :: atom: 441 46Y-HB3 B 3.14 ambi=2 { CB:36.26 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 3.375 atom: 447 47Y-HA A 4.079 ambi=1 { CA:59.325 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } ::sumAvg: 3.405 atom: 447 47Y-HA A 4.079 ambi=1 { CA:59.325 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } ::sumAvg: 4.26 atom: 448 47Y-HB2 B 2.899 ambi=2 { CB:36.434 } atom: 455 48Q-HA A 3.858 ambi=1 { CA:57.37 } :: atom: 449 47Y-HB3 B 2.745 ambi=2 { CB:36.434 } atom: 455 48Q-HA A 3.858 ambi=1 { CA:57.37 } ::sumAvg: 4.53 atom: 455 48Q-HA A 3.858 ambi=1 { CA:57.37 } atom: 448 47Y-HB2 B 2.899 ambi=2 { CB:36.434 } :: atom: 455 48Q-HA A 3.858 ambi=1 { CA:57.37 } atom: 449 47Y-HB3 B 2.745 ambi=2 { CB:36.434 } ::sumAvg: 4.53 atom: 448 47Y-HB2 B 2.899 ambi=2 { CB:36.434 } atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } :: atom: 448 47Y-HB2 B 2.899 ambi=2 { CB:36.434 } atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } :: atom: 449 47Y-HB3 B 2.745 ambi=2 { CB:36.434 } atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } :: atom: 449 47Y-HB3 B 2.745 ambi=2 { CB:36.434 } atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } ::sumAvg: 4.29 atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } atom: 448 47Y-HB2 B 2.899 ambi=2 { CB:36.434 } :: atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } atom: 448 47Y-HB2 B 2.899 ambi=2 { CB:36.434 } :: atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } atom: 449 47Y-HB3 B 2.745 ambi=2 { CB:36.434 } :: atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } atom: 449 47Y-HB3 B 2.745 ambi=2 { CB:36.434 } ::sumAvg: 4.29 atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 454 48Q-H N 6.629 ambi=1 { N:117.6 } ::sumAvg: 4.75 atom: 455 48Q-HA A 3.858 ambi=1 { CA:57.37 } atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } ::sumAvg: 4.57 atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 456 48Q-HB2 B 2.051 ambi=2 { CB:28.192 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 456 48Q-HB2 B 2.051 ambi=2 { CB:28.192 } :: atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 457 48Q-HB3 B 1.82 ambi=2 { CB:28.192 } ::sumAvg: 4.495 atom: 458 48Q-HG2 G 1.791 ambi=2 { CG:34.22 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } :: atom: 459 48Q-HG3 G 1.48 ambi=2 { CG:34.22 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } ::sumAvg: 4.44 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } ::sumAvg: 4.995 atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } atom: 465 49G-H N 7.729 ambi=1 { N:106.971 } ::sumAvg: 4.54 atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } ::sumAvg: 4.415 atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } ::sumAvg: 4.415 atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } ::sumAvg: 4.49 atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } ::sumAvg: 4.805 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } :: atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } ::sumAvg: 4.805 atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 4.505 atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } :: atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 4.29 atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } atom: 466 49G-HA2 A 4.656 ambi=2 { CA:45.292 } :: atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } atom: 467 49G-HA3 A 3.868 ambi=2 { CA:45.292 } ::sumAvg: 4.29 atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } atom: 470 50I-H N 8.845 ambi=1 { N:125.81 } ::sumAvg: 4.82 atom: 486 51E-HB2 B 2.039 ambi=2 { CB:32.703 } atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } :: atom: 487 51E-HB3 B 1.93 ambi=2 { CB:32.703 } atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } ::sumAvg: 4.55 atom: 471 50I-HA A 5.022 ambi=1 { CA:60.736 } atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } ::sumAvg: 4.795 atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.935 atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } ::sumAvg: 4.935 atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 3.775 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } ::sumAvg: 3.775 atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } ::sumAvg: 4.135 atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } atom: 472 50I-HB B 1.9 ambi=1 { CB:42.55 } ::sumAvg: 4.135 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 2.265 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 2.14 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 484 51E-H N 9.28 ambi=1 { N:127.617 } ::sumAvg: 3.83 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.925 atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } ::sumAvg: 4.925 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.29 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } :: atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } ::sumAvg: 4.29 atom: 473 50I-HG12 G1 1.978 ambi=2 { CG1:27.6 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } :: atom: 474 50I-HG13 G1 1.14 ambi=2 { CG1:27.6 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 3.985 atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } ::sumAvg: 3.81 atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 3.81 atom: 486 51E-HB2 B 2.039 ambi=2 { CB:32.703 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } :: atom: 487 51E-HB3 B 1.93 ambi=2 { CB:32.703 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 4.865 atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } ::sumAvg: 4.78 atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 4.78 atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } ::sumAvg: 4.715 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } ::sumAvg: 4.715 atom: 475 50I-HG2 G2 1.07 ambi=1 { CG2:18.52 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 3.275 atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } :: atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } ::sumAvg: 4.82 atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 2.975 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 2.975 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 476 50I-HD1 D1 0.924 ambi=1 { CD1:15.466 } ::sumAvg: 4.61 atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } atom: 497 52I-HB B 2.15 ambi=1 { CB:38.804 } ::sumAvg: 4.565 atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } :: atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } ::sumAvg: 4.075 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } :: atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } ::sumAvg: 4.075 atom: 485 51E-HA A 4.865 ambi=1 { CA:54.882 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 3.905 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 486 51E-HB2 B 2.039 ambi=2 { CB:32.703 } :: atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 487 51E-HB3 B 1.93 ambi=2 { CB:32.703 } ::sumAvg: 4.805 atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } atom: 495 52I-H N 9.061 ambi=1 { N:126.21 } ::sumAvg: 3.245 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 488 51E-QG G 2.307 ambi=2 { CG:36.198 } ::sumAvg: 4.825 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 497 52I-HB B 2.15 ambi=1 { CB:38.804 } ::sumAvg: 3.03 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } :: atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } ::sumAvg: 2.675 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } :: atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } ::sumAvg: 4.55 atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } :: atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } ::sumAvg: 4.55 atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } ::sumAvg: 4.985 atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } atom: 496 52I-HA A 4.852 ambi=1 { CA:59.055 } ::sumAvg: 4.985 atom: 497 52I-HB B 2.15 ambi=1 { CB:38.804 } atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } ::sumAvg: 4.95 atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } atom: 497 52I-HB B 2.15 ambi=1 { CB:38.804 } ::sumAvg: 4.95 atom: 497 52I-HB B 2.15 ambi=1 { CB:38.804 } atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } ::sumAvg: 4.66 atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } atom: 497 52I-HB B 2.15 ambi=1 { CB:38.804 } ::sumAvg: 4.66 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } :: atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.28 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 3038 64K-HG3 G 1.308 ambi=2 { CG:25.004 } ::sumAvg: 4.56 atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } :: atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.48 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 498 52I-HG12 G1 1.708 ambi=2 { CG1:27.518 } :: atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 3009 52I-HG13 G1 1.538 ambi=2 { CG1:27.518 } ::sumAvg: 4.48 atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } :: atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.32 atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 3.69 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } :: atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } ::sumAvg: 4.665 atom: 511 53Q-HB2 B 1.942 ambi=2 { CB:29.173 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } :: atom: 512 53Q-HB3 B 1.86 ambi=2 { CB:29.173 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.665 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } ::sumAvg: 4.955 atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.955 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } ::sumAvg: 3.7 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 3.7 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 3.615 atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 3.615 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } ::sumAvg: 4.715 atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.005 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 3037 64K-HG2 G 1.461 ambi=2 { CG:25.004 } ::sumAvg: 4.51 atom: 3037 64K-HG2 G 1.461 ambi=2 { CG:25.004 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.51 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 634 65I-H N 8.6 ambi=1 { N:123.131 } ::sumAvg: 4.68 atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.655 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 499 52I-HG2 G2 0.978 ambi=1 { CG2:16.798 } ::sumAvg: 4.655 atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } ::sumAvg: 3.715 atom: 3037 64K-HG2 G 1.461 ambi=2 { CG:25.004 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } :: atom: 3038 64K-HG3 G 1.308 ambi=2 { CG:25.004 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.24 atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 3.725 atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.445 atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 500 52I-HD1 D1 0.822 ambi=1 { CD1:11.594 } ::sumAvg: 4.445 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 509 53Q-H N 8.755 ambi=1 { N:127.724 } ::sumAvg: 4.89 atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } :: atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } ::sumAvg: 4.595 atom: 521 54Q-HB2 B 2.194 ambi=2 { CB:29.22 } atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } :: atom: 522 54Q-HB3 B 2.06 ambi=2 { CB:29.22 } atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } ::sumAvg: 4.595 atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 4.66 atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } atom: 510 53Q-HA A 4.656 ambi=1 { CA:54.703 } ::sumAvg: 4.66 atom: 513 53Q-QG G 2.265 ambi=2 { CG:33.455 } atom: 2048 55H-HD2 D2 6.53 ambi=1 { CD2:118.6 } ::sumAvg: 4.695 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } ::sumAvg: 4.425 atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } ::sumAvg: 4.425 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } ::sumAvg: 4.515 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } ::sumAvg: 4.515 atom: 520 54Q-HA A 4.3 ambi=1 { CA:56 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } ::sumAvg: 4.11 atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } ::sumAvg: 4.715 atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 530 55H-H N 8.501 ambi=1 { N:123.757 } ::sumAvg: 4.485 atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } ::sumAvg: 4.695 atom: 531 55H-HA A 4.963 ambi=1 { CA:55.524 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 4.695 atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } ::sumAvg: 4.29 atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } ::sumAvg: 4.05 atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } atom: 523 54Q-QG G 2.4 ambi=2 { CG:34 } ::sumAvg: 4.05 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 4.475 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 3.67 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.655 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } ::sumAvg: 4.655 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 3.595 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } ::sumAvg: 3.595 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } ::sumAvg: 3.56 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } :: atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } ::sumAvg: 4.62 atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } :: atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } ::sumAvg: 4.62 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } ::sumAvg: 4.485 atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } ::sumAvg: 4.485 atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } :: atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 4.45 atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } atom: 703 73G-H N 7.812 ambi=1 { N:106.396 } :: atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } atom: 703 73G-H N 7.812 ambi=1 { N:106.396 } ::sumAvg: 4.06 atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } :: atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } :: atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } :: atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } ::sumAvg: 4.695 atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } :: atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } :: atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } :: atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } ::sumAvg: 4.695 atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } :: atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } ::sumAvg: 4.94 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } ::sumAvg: 4.64 atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } ::sumAvg: 4.64 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } :: atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } ::sumAvg: 4.54 atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } :: atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } ::sumAvg: 4.54 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 542 56K-HG3 G 1.215 ambi=2 { CG:25.599 } :: atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 3034 56K-HG2 G 1.342 ambi=2 { CG:25.599 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 542 56K-HG3 G 1.215 ambi=2 { CG:25.599 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 3034 56K-HG2 G 1.342 ambi=2 { CG:25.599 } ::sumAvg: 4.385 atom: 532 55H-HB2 B 3.329 ambi=2 { CB:31.7 } atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } :: atom: 533 55H-HB3 B 3.107 ambi=2 { CB:31.7 } atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } ::sumAvg: 4.515 atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } atom: 538 56K-H N 7.444 ambi=1 { N:115.021 } ::sumAvg: 4.31 atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } atom: 3176 57Y-QD D 6.93 ambi=3 { CD1:132.76 } ::sumAvg: 4.745 atom: 539 56K-HA A 4.671 ambi=1 { CA:54.735 } atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } ::sumAvg: 4.69 atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } ::sumAvg: 4.69 atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } :: atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } ::sumAvg: 4.69 atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } ::sumAvg: 4.01 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 540 56K-HB2 B 1.346 ambi=2 { CB:38.503 } :: atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 541 56K-HB3 B 1.266 ambi=2 { CB:38.503 } ::sumAvg: 4.01 atom: 543 56K-QD D 1.52 ambi=2 { CD:29.554 } atom: 3176 57Y-QD D 6.93 ambi=3 { CD1:132.76 } ::sumAvg: 4.92 atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 3177 57Y-QE E 6.53 ambi=3 { CE1:118.66 } ::sumAvg: 4.48 atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 4.555 atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } ::sumAvg: 4.555 atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 560 58Q-HB2 B 2.089 ambi=2 { CB:28.275 } :: atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } ::sumAvg: 4.975 atom: 560 58Q-HB2 B 2.089 ambi=2 { CB:28.275 } atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } :: atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } ::sumAvg: 4.975 atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 4.185 atom: 551 57Y-HA A 4.75 ambi=1 { CA:58.251 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.625 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 3177 57Y-QE E 6.53 ambi=3 { CE1:118.66 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 3177 57Y-QE E 6.53 ambi=3 { CE1:118.66 } ::sumAvg: 4.45 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } ::sumAvg: 3.77 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 4.76 atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } ::sumAvg: 4.76 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 4.225 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.98 atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } ::sumAvg: 4.98 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 4.435 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } :: atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } ::sumAvg: 4.73 atom: 552 57Y-HB2 B 3.357 ambi=2 { CB:36.303 } atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } :: atom: 553 57Y-HB3 B 3.067 ambi=2 { CB:36.303 } atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } ::sumAvg: 4.99 atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } ::sumAvg: 4.98 atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 558 58Q-H N 9.344 ambi=1 { N:119.012 } ::sumAvg: 4.44 atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } ::sumAvg: 4.6 atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 4.6 atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.845 atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 4.845 atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 3.99 atom: 589 61L-HB2 B 2.14 ambi=2 { CB:46.5 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } :: atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 3.635 atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } ::sumAvg: 4.025 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 559 58Q-HA A 4.06 ambi=1 { CA:60.835 } ::sumAvg: 4.025 atom: 560 58Q-HB2 B 2.089 ambi=2 { CB:28.275 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } :: atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 3.675 atom: 560 58Q-HB2 B 2.089 ambi=2 { CB:28.275 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } :: atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } ::sumAvg: 4.78 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 560 58Q-HB2 B 2.089 ambi=2 { CB:28.275 } :: atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } ::sumAvg: 4.13 atom: 560 58Q-HB2 B 2.089 ambi=2 { CB:28.275 } atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } :: atom: 561 58Q-HB3 B 1.943 ambi=2 { CB:28.275 } atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } ::sumAvg: 4.895 atom: 562 58Q-HG2 G 2.554 ambi=2 { CG:34.585 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } :: atom: 2077 58Q-HG3 G 2.04 ambi=2 { CG:34.585 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 4.03 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 4.835 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 4.74 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 568 59N-H N 8.717 ambi=1 { N:113.155 } ::sumAvg: 4.895 atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 3.48 atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } ::sumAvg: 4.9 atom: 889 93K-HB2 B 1.92 ambi=2 { CB:32.179 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } :: atom: 890 93K-HB3 B 1.439 ambi=2 { CB:32.179 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } ::sumAvg: 4.685 atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } atom: 569 59N-HA A 4.636 ambi=1 { CA:54.717 } ::sumAvg: 3.915 atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } ::sumAvg: 4.06 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.06 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.5 atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } ::sumAvg: 4.645 atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 889 93K-HB2 B 1.92 ambi=2 { CB:32.179 } :: atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 890 93K-HB3 B 1.439 ambi=2 { CB:32.179 } ::sumAvg: 4.965 atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } ::sumAvg: 4.93 atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } atom: 570 59N-QB B 2.7915 ambi=2 { CB:38.638 } ::sumAvg: 4.93 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 3.13 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 4.89 atom: 589 61L-HB2 B 2.14 ambi=2 { CB:46.5 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } :: atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 4.63 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 4.98 atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } atom: 576 60E-H N 8.153 ambi=1 { N:117.194 } ::sumAvg: 4.99 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.595 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } ::sumAvg: 3.655 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 889 93K-HB2 B 1.92 ambi=2 { CB:32.179 } :: atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 890 93K-HB3 B 1.439 ambi=2 { CB:32.179 } ::sumAvg: 3.51 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 891 93K-QG G 1.31 ambi=2 { CG:25.99 } ::sumAvg: 4.31 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } ::sumAvg: 4.17 atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } ::sumAvg: 4.17 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } ::sumAvg: 3.98 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 901 94K-HB2 B 1.948 ambi=2 { CB:32.2 } :: atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 902 94K-HB3 B 1.805 ambi=2 { CB:32.2 } ::sumAvg: 4.645 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } ::sumAvg: 4.95 atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } ::sumAvg: 4.95 atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 3047 94K-HG2 G 1.549 ambi=2 { CG:25.386 } :: atom: 577 60E-HA A 4.347 ambi=1 { CA:59.212 } atom: 3048 94K-HG3 G 1.428 ambi=2 { CG:25.386 } ::sumAvg: 4.635 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.535 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } :: atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } ::sumAvg: 4.535 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } ::sumAvg: 4.13 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } ::sumAvg: 4.685 atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } :: atom: 579 60E-HB3 B 2.053 ambi=2 { CB:32.136 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } ::sumAvg: 4.97 atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } atom: 578 60E-HB2 B 2.166 ambi=2 { CB:32.136 } ::sumAvg: 4.92 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } ::sumAvg: 3.93 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.935 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.935 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } ::sumAvg: 4.67 atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.67 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.55 atom: 889 93K-HB2 B 1.92 ambi=2 { CB:32.179 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } :: atom: 890 93K-HB3 B 1.439 ambi=2 { CB:32.179 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.835 atom: 901 94K-HB2 B 1.948 ambi=2 { CB:32.2 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } :: atom: 902 94K-HB3 B 1.805 ambi=2 { CB:32.2 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.815 atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } ::sumAvg: 4.4 atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } atom: 580 60E-QG G 2.52 ambi=2 { CG:36.48 } ::sumAvg: 4.4 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 587 61L-H N 8.638 ambi=1 { N:123.189 } ::sumAvg: 4.86 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 591 61L-HG G 0.65 ambi=1 { CG:26.637 } ::sumAvg: 2.84 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.55 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.55 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.39 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.39 atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 4.86 atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } :: atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.86 atom: 891 93K-QG G 1.31 ambi=2 { CG:25.99 } atom: 588 61L-HA A 5.635 ambi=1 { CA:54.202 } ::sumAvg: 4.94 atom: 589 61L-HB2 B 2.14 ambi=2 { CB:46.5 } atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } :: atom: 590 61L-HB3 B 1.31 ambi=2 { CB:46.5 } atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } ::sumAvg: 4.925 atom: 591 61L-HG G 0.65 ambi=1 { CG:26.637 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.86 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 591 61L-HG G 0.65 ambi=1 { CG:26.637 } ::sumAvg: 4.86 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } ::sumAvg: 3.13 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } ::sumAvg: 4.455 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.455 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 603 62D-HB2 B 2.667 ambi=2 { CB:45.273 } :: atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 604 62D-HB3 B 2.431 ambi=2 { CB:45.273 } ::sumAvg: 4.74 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.46 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.95 atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 4.95 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 3.665 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 3.665 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 3.78 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.49 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } ::sumAvg: 4.99 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } ::sumAvg: 4.105 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } ::sumAvg: 3.17 atom: 592 61L-QD D 0.89 ambi=2 { QCD:24.99 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } ::sumAvg: 4.065 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } ::sumAvg: 4.62 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } ::sumAvg: 4.265 atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } ::sumAvg: 3.47 atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } atom: 601 62D-H N 8.801 ambi=1 { N:125.578 } ::sumAvg: 4.81 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 4.44 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } ::sumAvg: 4.625 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } ::sumAvg: 4.735 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } ::sumAvg: 4.395 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.785 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.93 atom: 602 62D-HA A 5.33 ambi=1 { CA:53.151 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 4.715 atom: 603 62D-HB2 B 2.667 ambi=2 { CB:45.273 } atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } :: atom: 604 62D-HB3 B 2.431 ambi=2 { CB:45.273 } atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } ::sumAvg: 3.71 atom: 603 62D-HB2 B 2.667 ambi=2 { CB:45.273 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } :: atom: 604 62D-HB3 B 2.431 ambi=2 { CB:45.273 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 4.855 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 603 62D-HB2 B 2.667 ambi=2 { CB:45.273 } :: atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 604 62D-HB3 B 2.431 ambi=2 { CB:45.273 } ::sumAvg: 4.855 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 603 62D-HB2 B 2.667 ambi=2 { CB:45.273 } :: atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 604 62D-HB3 B 2.431 ambi=2 { CB:45.273 } ::sumAvg: 4.905 atom: 603 62D-HB2 B 2.667 ambi=2 { CB:45.273 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } :: atom: 604 62D-HB3 B 2.431 ambi=2 { CB:45.273 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } ::sumAvg: 3.83 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } ::sumAvg: 4.98 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 609 63I-H N 7.864 ambi=1 { N:122.782 } ::sumAvg: 4.145 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } ::sumAvg: 2.93 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } ::sumAvg: 4.29 atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 4.29 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 3.835 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.87 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.43 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 4.43 atom: 861 90L-HG G 0.745 ambi=1 { CG:27.24 } atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } ::sumAvg: 4.135 atom: 610 63I-HA A 4.289 ambi=1 { CA:60.967 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 3.94 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } ::sumAvg: 4.375 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 611 63I-HB B 1.203 ambi=1 { CB:41.301 } ::sumAvg: 3.875 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 2.17 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 621 64K-H N 8.17 ambi=1 { N:124.657 } ::sumAvg: 3.59 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } ::sumAvg: 4.8 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 3.545 atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.255 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 612 63I-QG1 G1 1.32 ambi=2 { CG1:27.4 } ::sumAvg: 4.255 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 613 63I-HD1 D1 0.404 ambi=1 { CD1:14.72 } ::sumAvg: 4.22 atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 3.48 atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.415 atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.805 atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.805 atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } :: atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } ::sumAvg: 3.84 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 3.84 atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.835 atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 2.85 atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.795 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 3011 63I-HG2 G2 -0.076 ambi=1 { CG2:15.98 } ::sumAvg: 4.64 atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 621 64K-H N 8.17 ambi=1 { N:124.657 } ::sumAvg: 4.875 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 621 64K-H N 8.17 ambi=1 { N:124.657 } ::sumAvg: 4.815 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 621 64K-H N 8.17 ambi=1 { N:124.657 } ::sumAvg: 3.61 atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.645 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } ::sumAvg: 4.645 atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } ::sumAvg: 4.615 atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.415 atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } ::sumAvg: 4.415 atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.205 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } ::sumAvg: 4.205 atom: 622 64K-HA A 4.476 ambi=1 { CA:54.537 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.895 atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.875 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } ::sumAvg: 4.875 atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.525 atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } ::sumAvg: 4.915 atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } ::sumAvg: 4.915 atom: 623 64K-QB B 1.65 ambi=2 { CB:36.45 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.215 atom: 625 64K-QD D 1.65 ambi=2 { CD:29.01 } atom: 634 65I-H N 8.6 ambi=1 { N:123.131 } ::sumAvg: 4.055 atom: 625 64K-QD D 1.65 ambi=2 { CD:29.01 } atom: 647 66I-HD1 D1 0.85 ambi=1 { CD1:12.9 } ::sumAvg: 4.885 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 634 65I-H N 8.6 ambi=1 { N:123.131 } ::sumAvg: 2.885 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 634 65I-H N 8.6 ambi=1 { N:123.131 } ::sumAvg: 3.92 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.865 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.865 atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.96 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.815 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } ::sumAvg: 4.125 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.125 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.61 atom: 817 86L-HG G 0.84 ambi=1 { CG:26.7 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.48 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 3.05 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.665 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.985 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.985 atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.46 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 637 65I-HG2 G2 -0.269 ambi=1 { CG2:17.25 } ::sumAvg: 4.46 atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.665 atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.01 atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.94 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } ::sumAvg: 4.94 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } ::sumAvg: 3.895 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } ::sumAvg: 4.625 atom: 638 65I-HD1 D1 0.428 ambi=1 { CD1:15.07 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.93 atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.785 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } ::sumAvg: 3.72 atom: 3012 65I-HB B 1.345 ambi=1 { CB:38.68 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 2.735 atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.555 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.555 atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } :: atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } ::sumAvg: 4.425 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.425 atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.905 atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 3.29 atom: 849 89M-HB2 B 1.91 ambi=2 { CB:35.95 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } :: atom: 850 89M-HB3 B 1.64 ambi=2 { CB:35.95 } atom: 3015 65I-HA A 4.06 ambi=1 { CA:60.9 } ::sumAvg: 4.99 atom: 644 66I-HA A 4.07 ambi=1 { CA:61.3 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 3.03 atom: 644 66I-HA A 4.07 ambi=1 { CA:61.3 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 4.735 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 644 66I-HA A 4.07 ambi=1 { CA:61.3 } ::sumAvg: 4.735 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } ::sumAvg: 4.84 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.84 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 3.955 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 3.955 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.68 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } ::sumAvg: 4.67 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.67 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.755 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } ::sumAvg: 4.755 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.995 atom: 645 66I-HB B 1.849 ambi=1 { CB:38.196 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } ::sumAvg: 4.9 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } ::sumAvg: 4.06 atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 3.675 atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 849 89M-HB2 B 1.91 ambi=2 { CB:35.95 } :: atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 850 89M-HB3 B 1.64 ambi=2 { CB:35.95 } ::sumAvg: 4.545 atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } ::sumAvg: 4.655 atom: 646 66I-HG2 G2 0.85 ambi=1 { CG2:17.6 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } ::sumAvg: 3.905 atom: 647 66I-HD1 D1 0.85 ambi=1 { CD1:12.9 } atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } ::sumAvg: 4.365 atom: 647 66I-HD1 D1 0.85 ambi=1 { CD1:12.9 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.34 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 647 66I-HD1 D1 0.85 ambi=1 { CD1:12.9 } ::sumAvg: 4.34 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } ::sumAvg: 4.155 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.475 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } :: atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } ::sumAvg: 4.475 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 833 88L-H N 9.163 ambi=1 { N:125.681 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 833 88L-H N 9.163 ambi=1 { N:125.681 } ::sumAvg: 4.95 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.63 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.345 atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } :: atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } ::sumAvg: 4.345 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } ::sumAvg: 3.705 atom: 3016 66I-HG12 G1 1.339 ambi=2 { CG1:26.7 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } :: atom: 3017 66I-HG13 G1 0.97 ambi=2 { CG1:26.7 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } ::sumAvg: 3.455 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } ::sumAvg: 4.755 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } ::sumAvg: 4.71 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 654 67N-H N 7.141 ambi=1 { N:112.344 } ::sumAvg: 4.745 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.47 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } ::sumAvg: 4.47 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } ::sumAvg: 4.705 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 3.46 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.65 atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 655 67N-HA A 4.27 ambi=1 { CA:52.874 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.565 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.445 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 4.445 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 4.97 atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 4.97 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 4.61 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.515 atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 3.375 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 656 67N-QB B 2.796 ambi=2 { CB:41.891 } ::sumAvg: 3.375 atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } ::sumAvg: 4.985 atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } ::sumAvg: 4.75 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 662 68F-H N 6.4 ambi=1 { N:114.298 } ::sumAvg: 4.76 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.62 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 672 69L-HB2 B 1.612 ambi=2 { CB:45.689 } ::sumAvg: 4.495 atom: 672 69L-HB2 B 1.612 ambi=2 { CB:45.689 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.495 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.965 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.965 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 815 86L-HB2 B 1.67 ambi=2 { CB:43.64 } :: atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 816 86L-HB3 B 1.29 ambi=2 { CB:43.64 } ::sumAvg: 4.335 atom: 815 86L-HB2 B 1.67 ambi=2 { CB:43.64 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } :: atom: 816 86L-HB3 B 1.29 ambi=2 { CB:43.64 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.335 atom: 817 86L-HG G 0.84 ambi=1 { CG:26.7 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.42 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 3.235 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 3.235 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 3.125 atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.655 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 663 68F-HA A 4.94 ambi=1 { CA:56.79 } ::sumAvg: 4.655 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.375 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } ::sumAvg: 4.685 atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 4.685 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 3.66 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 3.66 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.52 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 4.52 atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } :: atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.175 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 664 68F-HB2 B 2.611 ambi=2 { CB:42.357 } :: atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 665 68F-HB3 B 2.337 ambi=2 { CB:42.357 } ::sumAvg: 4.175 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 3102 68F-QD D 6.212 ambi=3 { CD1:131.8 } ::sumAvg: 3.63 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 3103 68F-QE E 6.52 ambi=3 { CE1:130.3 } ::sumAvg: 4.665 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 670 69L-H N 9.15 ambi=1 { N:119.32 } ::sumAvg: 4.415 atom: 685 70Y-HB2 B 2.96 ambi=2 { CB:37.2 } atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } :: atom: 686 70Y-HB3 B 2.327 ambi=2 { CB:37.2 } atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } ::sumAvg: 4.545 atom: 671 69L-HA A 4.815 ambi=2 { CA:53.542 } atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } ::sumAvg: 4.05 atom: 672 69L-HB2 B 1.612 ambi=2 { CB:45.689 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 672 69L-HB2 B 1.612 ambi=2 { CB:45.689 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.915 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 672 69L-HB2 B 1.612 ambi=2 { CB:45.689 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 672 69L-HB2 B 1.612 ambi=2 { CB:45.689 } ::sumAvg: 4.915 atom: 674 69L-HG G 1.448 ambi=2 { CG:27 } atom: 683 70Y-H N 8.79 ambi=1 { N:121.9 } ::sumAvg: 4.06 atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } ::sumAvg: 4.49 atom: 684 70Y-HA A 5.01 ambi=1 { CA:54.42 } atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } ::sumAvg: 4.49 atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } ::sumAvg: 4.245 atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.48 atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 3.885 atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 975 102L-HB2 B 1.724 ambi=2 { CB:43.601 } :: atom: 675 69L-QD D 0.85 ambi=2 { QCD:25.85 } atom: 976 102L-HB3 B 1.393 ambi=2 { CB:43.601 } ::sumAvg: 4.455 atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } atom: 683 70Y-H N 8.79 ambi=1 { N:121.9 } :: atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } atom: 683 70Y-H N 8.79 ambi=1 { N:121.9 } ::sumAvg: 4.845 atom: 711 74D-HB2 B 2.786 ambi=2 { CB:43.442 } atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } :: atom: 712 74D-HB3 B 2.434 ambi=2 { CB:43.442 } atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } ::sumAvg: 3.735 atom: 711 74D-HB2 B 2.786 ambi=2 { CB:43.442 } atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } :: atom: 711 74D-HB2 B 2.786 ambi=2 { CB:43.442 } atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } :: atom: 712 74D-HB3 B 2.434 ambi=2 { CB:43.442 } atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } :: atom: 712 74D-HB3 B 2.434 ambi=2 { CB:43.442 } atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } ::sumAvg: 4.875 atom: 711 74D-HB2 B 2.786 ambi=2 { CB:43.442 } atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } :: atom: 712 74D-HB3 B 2.434 ambi=2 { CB:43.442 } atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } ::sumAvg: 4.72 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } ::sumAvg: 4.885 atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } atom: 3186 70Y-QD D 6.619 ambi=3 { CD1:131.32 } ::sumAvg: 4.695 atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } :: atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 3.205 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 3.075 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 3187 70Y-QE E 6.069 ambi=3 { CE1:117 } ::sumAvg: 4.205 atom: 696 72D-HA A 4.756 ambi=1 { CA:54.141 } atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } :: atom: 696 72D-HA A 4.756 ambi=1 { CA:54.141 } atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } ::sumAvg: 4.44 atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } atom: 696 72D-HA A 4.756 ambi=1 { CA:54.141 } :: atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } atom: 696 72D-HA A 4.756 ambi=1 { CA:54.141 } ::sumAvg: 4.44 atom: 697 72D-QB B 2.8 ambi=2 { CB:41.19 } atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } :: atom: 697 72D-QB B 2.8 ambi=2 { CB:41.19 } atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } ::sumAvg: 4.465 atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } atom: 697 72D-QB B 2.8 ambi=2 { CB:41.19 } :: atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } atom: 697 72D-QB B 2.8 ambi=2 { CB:41.19 } ::sumAvg: 4.465 atom: 697 72D-QB B 2.8 ambi=2 { CB:41.19 } atom: 9 74D-H N 7.689 ambi=1 { N:119.728 } ::sumAvg: 4.595 atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } atom: 711 74D-HB2 B 2.786 ambi=2 { CB:43.442 } :: atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } atom: 712 74D-HB3 B 2.434 ambi=2 { CB:43.442 } :: atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } atom: 711 74D-HB2 B 2.786 ambi=2 { CB:43.442 } :: atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } atom: 712 74D-HB3 B 2.434 ambi=2 { CB:43.442 } ::sumAvg: 4.585 atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } :: atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } ::sumAvg: 4.43 atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } atom: 704 73G-HA2 A 4.296 ambi=2 { CA:46.12 } :: atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } atom: 705 73G-HA3 A 3.92 ambi=2 { CA:46.12 } ::sumAvg: 4.43 atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } :: atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } ::sumAvg: 4.535 atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } :: atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } ::sumAvg: 4.535 atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } ::sumAvg: 4.81 atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } ::sumAvg: 3.935 atom: 710 74D-HA A 4.849 ambi=1 { CA:52.88 } atom: 729 77S-H N 7.893 ambi=1 { N:117.851 } ::sumAvg: 4.745 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 717 75F-H N 8.343 ambi=1 { N:125.786 } ::sumAvg: 4.995 atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } atom: 3114 75F-QE E 7.09 ambi=3 { CE1:131.8 } :: atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } atom: 3114 75F-QE E 7.09 ambi=3 { CE1:131.8 } ::sumAvg: 4.395 atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } :: atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } :: atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } :: atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } atom: 719 75F-HB3 B 2.04 ambi=2 { CB:34.7 } ::sumAvg: 4.505 atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.155 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 718 75F-HB2 B 2.55 ambi=2 { CB:34.7 } ::sumAvg: 4.155 atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } :: atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } ::sumAvg: 4.515 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 3113 75F-QD D 6.6 ambi=3 { CD1:132.9 } ::sumAvg: 4.95 atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } ::sumAvg: 4.605 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 723 76G-H N 7.439 ambi=1 { N:110.87 } ::sumAvg: 4.75 atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } :: atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } ::sumAvg: 4.39 atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } :: atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } ::sumAvg: 4.39 atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } :: atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } ::sumAvg: 4.69 atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } :: atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.56 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } :: atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } ::sumAvg: 4.56 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } :: atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } ::sumAvg: 3.345 atom: 724 76G-HA2 A 3.371 ambi=2 { CA:46.674 } atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } :: atom: 725 76G-HA3 A 3.22 ambi=2 { CA:46.674 } atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } ::sumAvg: 4.58 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 729 77S-H N 7.893 ambi=1 { N:117.851 } ::sumAvg: 4.395 atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.98 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } ::sumAvg: 4.98 atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } ::sumAvg: 4.17 atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } ::sumAvg: 4.535 atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } atom: 730 77S-HA A 4.05 ambi=1 { CA:60.766 } ::sumAvg: 4.535 atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } ::sumAvg: 4.28 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } ::sumAvg: 4.28 atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } ::sumAvg: 4.97 atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } ::sumAvg: 4.955 atom: 731 77S-QB B 3.876 ambi=2 { CB:62.53 } atom: 3041 80K-QD D 1.6 ambi=2 { CD:29.5 } ::sumAvg: 4.73 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 737 78A-H N 7.38 ambi=1 { N:124.8 } ::sumAvg: 4.59 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } ::sumAvg: 3.535 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } ::sumAvg: 4.205 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 3.91 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 4.655 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } ::sumAvg: 4.655 atom: 738 78A-HA A 4.33 ambi=1 { CA:55.141 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.54 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 3.945 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.21 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } ::sumAvg: 4.525 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 4.535 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.635 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 776 83T-H N 7.963 ambi=1 { N:111.624 } ::sumAvg: 4.195 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 778 83T-HB B 4.028 ambi=1 { CB:72.127 } ::sumAvg: 4.99 atom: 778 83T-HB B 4.028 ambi=1 { CB:72.127 } atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } ::sumAvg: 4.99 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.965 atom: 739 78A-HB B 1.682 ambi=1 { CB:19.771 } atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } ::sumAvg: 4.145 atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } atom: 743 79N-H N 8.471 ambi=1 { N:116.675 } ::sumAvg: 4.495 atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 4.725 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 4.725 atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } ::sumAvg: 4.655 atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 3.785 atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 3.81 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 3.81 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 3.825 atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } :: atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } ::sumAvg: 4.955 atom: 744 79N-HA A 4.63 ambi=1 { CA:55.078 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 4.85 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 3.975 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } ::sumAvg: 3.975 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } ::sumAvg: 4.145 atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } ::sumAvg: 4.145 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } :: atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } ::sumAvg: 4.505 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } ::sumAvg: 4.83 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 4.795 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 4.66 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } ::sumAvg: 4.66 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 4.31 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 2037 111N-HD21 D2 7.66 ambi=2 { ND2:111.7 } :: atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 2038 111N-HD22 D2 7.006 ambi=2 { ND2:111.7 } ::sumAvg: 4.57 atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } :: atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } ::sumAvg: 4.295 atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } :: atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } atom: 746 79N-QB B 2.775 ambi=2 { CB:38.271 } ::sumAvg: 4.295 atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } ::sumAvg: 4.83 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 752 80K-H N 8.042 ambi=1 { N:120.911 } ::sumAvg: 4.81 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } :: atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } ::sumAvg: 3.055 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 3041 80K-QD D 1.6 ambi=2 { CD:29.5 } ::sumAvg: 4.02 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } ::sumAvg: 4.645 atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 4.645 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 4.535 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } ::sumAvg: 4.35 atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 4.35 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 2.905 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } ::sumAvg: 4.79 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 4.79 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } :: atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } ::sumAvg: 4.035 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } :: atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } ::sumAvg: 4.37 atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } :: atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 4.37 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } ::sumAvg: 3.765 atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 3.765 atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 2095 112P-HG2 G 1.938 ambi=2 { CG:26.7 } :: atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } atom: 2096 112P-HG3 G 1.639 ambi=2 { CG:26.7 } ::sumAvg: 4.625 atom: 2095 112P-HG2 G 1.938 ambi=2 { CG:26.7 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } :: atom: 2096 112P-HG3 G 1.639 ambi=2 { CG:26.7 } atom: 753 80K-HA A 4.184 ambi=1 { CA:59.07 } ::sumAvg: 4.625 atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } ::sumAvg: 4.23 atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } ::sumAvg: 4.23 atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } ::sumAvg: 4.46 atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } ::sumAvg: 4.46 atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 4.695 atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 4.66 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } ::sumAvg: 2.87 atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } ::sumAvg: 4.73 atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 754 80K-QB B 1.86 ambi=2 { CB:32.65 } ::sumAvg: 4.73 atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } :: atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } ::sumAvg: 4.11 atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } :: atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } ::sumAvg: 4.11 atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } :: atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } :: atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } ::sumAvg: 3.67 atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } :: atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } :: atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } :: atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } ::sumAvg: 4.845 atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } :: atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } atom: 3039 80K-HG2 G 1.449 ambi=2 { CG:25 } :: atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } :: atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } atom: 3040 80K-HG3 G 1.364 ambi=2 { CG:25 } ::sumAvg: 4.845 atom: 3041 80K-QD D 1.6 ambi=2 { CD:29.5 } atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } ::sumAvg: 4.86 atom: 3041 80K-QD D 1.6 ambi=2 { CD:29.5 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } ::sumAvg: 3.27 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 3041 80K-QD D 1.6 ambi=2 { CD:29.5 } ::sumAvg: 3.27 atom: 3041 80K-QD D 1.6 ambi=2 { CD:29.5 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } ::sumAvg: 4.155 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 762 81N-H N 7.64 ambi=1 { N:112.6 } ::sumAvg: 4.535 atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 4.47 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } ::sumAvg: 4.47 atom: 763 81N-HA A 4.85 ambi=1 { CA:53.275 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } ::sumAvg: 4.6 atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 4.665 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } ::sumAvg: 4.665 atom: 764 81N-QB B 2.9 ambi=2 { CB:40.2 } atom: 778 83T-HB B 4.028 ambi=1 { CB:72.127 } ::sumAvg: 4.195 atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 770 82G-H N 8.551 ambi=1 { N:113.307 } ::sumAvg: 4.28 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 4.475 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 4.475 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.765 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 4.97 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.075 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.635 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } ::sumAvg: 3.535 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 3.68 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 3.68 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } :: atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } ::sumAvg: 4.375 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1053 110S-H N 7.785 ambi=1 { N:114.467 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 1053 110S-H N 7.785 ambi=1 { N:114.467 } ::sumAvg: 4.37 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } :: atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } ::sumAvg: 3.575 atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } :: atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 772 82G-HA3 A 3.7 ambi=2 { CA:48.35 } ::sumAvg: 3.575 atom: 771 82G-HA2 A 3.89 ambi=2 { CA:48.35 } atom: 1056 110S-HB3 B 3.414 ambi=2 { CB:66.584 } ::sumAvg: 4.235 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } ::sumAvg: 4.49 atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 4.49 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.01 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 4.01 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } ::sumAvg: 4.935 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 4.53 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 4.53 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 1020 106S-H N 8.329 ambi=1 { N:119.446 } ::sumAvg: 4.775 atom: 1022 106S-HB2 B 4.024 ambi=2 { CB:65.074 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } :: atom: 1023 106S-HB3 B 3.921 ambi=2 { CB:65.074 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 3.635 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.45 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } ::sumAvg: 4.45 atom: 777 83T-HA A 5.564 ambi=1 { CA:60.303 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 3.725 atom: 778 83T-HB B 4.028 ambi=1 { CB:72.127 } atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } :: atom: 778 83T-HB B 4.028 ambi=1 { CB:72.127 } atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } ::sumAvg: 4.585 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 778 83T-HB B 4.028 ambi=1 { CB:72.127 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 778 83T-HB B 4.028 ambi=1 { CB:72.127 } ::sumAvg: 4.585 atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.33 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } ::sumAvg: 4.84 atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.81 atom: 779 83T-HG2 G2 1.162 ambi=1 { CG2:22.276 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.73 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } ::sumAvg: 4.725 atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } ::sumAvg: 4.68 atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } ::sumAvg: 4.665 atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } ::sumAvg: 4.95 atom: 1011 105V-HB B 2.27 ambi=1 { CB:35.188 } atom: 784 84L-H N 8.6 ambi=1 { N:118.084 } ::sumAvg: 4.485 atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 4.405 atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } ::sumAvg: 3.715 atom: 785 84L-HA A 4.774 ambi=1 { CA:53.876 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.74 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } ::sumAvg: 3.11 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 4.415 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.13 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } ::sumAvg: 4.42 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 1011 105V-HB B 2.27 ambi=1 { CB:35.188 } ::sumAvg: 4.72 atom: 1011 105V-HB B 2.27 ambi=1 { CB:35.188 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.72 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 3.705 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.175 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } ::sumAvg: 4.175 atom: 786 84L-QB B 1.47 ambi=2 { CB:49.9 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 3.455 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 4.33 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 4.33 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } ::sumAvg: 4.88 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 4.675 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } :: atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } ::sumAvg: 4.155 atom: 789 84L-HD1 D1 0.863 ambi=2 { CD1:25.5 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } :: atom: 790 84L-HD2 D2 0.365 ambi=2 { CD2:25.5 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 3.645 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } ::sumAvg: 4.995 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } ::sumAvg: 4.81 atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } ::sumAvg: 4.945 atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 798 85K-H N 8.893 ambi=1 { N:117.951 } ::sumAvg: 4.785 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.425 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 4.425 atom: 815 86L-HB2 B 1.67 ambi=2 { CB:43.64 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } :: atom: 816 86L-HB3 B 1.29 ambi=2 { CB:43.64 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 4.33 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } ::sumAvg: 4.135 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } ::sumAvg: 4.56 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 999 104E-H N 9.19 ambi=1 { N:129.12 } ::sumAvg: 4.555 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } :: atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 1002 104E-HB3 B 1.934 ambi=2 { CB:30.83 } ::sumAvg: 4.07 atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } :: atom: 1002 104E-HB3 B 1.934 ambi=2 { CB:30.83 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 4.07 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } :: atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } ::sumAvg: 3.825 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } ::sumAvg: 3.825 atom: 799 85K-HA A 5.287 ambi=1 { CA:55.324 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } ::sumAvg: 3.14 atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } :: atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.74 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } :: atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } ::sumAvg: 4.74 atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } :: atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } ::sumAvg: 3.995 atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } :: atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } ::sumAvg: 4.66 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 800 85K-HB2 B 1.615 ambi=2 { CB:34.906 } :: atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 801 85K-HB3 B 1.543 ambi=2 { CB:34.906 } ::sumAvg: 4.38 atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } ::sumAvg: 4.085 atom: 975 102L-HB2 B 1.724 ambi=2 { CB:43.601 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } ::sumAvg: 4.82 atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } :: atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } ::sumAvg: 2.6 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 802 85K-QG G 1.3 ambi=2 { CG:26.279 } ::sumAvg: 2.6 atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } ::sumAvg: 4.605 atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } ::sumAvg: 4.605 atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } ::sumAvg: 4.11 atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } ::sumAvg: 4.11 atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } :: atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } ::sumAvg: 3.57 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 804 85K-QD D 1.66 ambi=2 { CD:30.134 } ::sumAvg: 3.57 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } ::sumAvg: 4.755 atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } ::sumAvg: 3.855 atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } ::sumAvg: 4.72 atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 813 86L-H N 9.397 ambi=1 { N:125.172 } ::sumAvg: 3.47 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } ::sumAvg: 4.425 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.425 atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.585 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 814 86L-HA A 4.348 ambi=1 { CA:54.659 } ::sumAvg: 4.585 atom: 815 86L-HB2 B 1.67 ambi=2 { CB:43.64 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } :: atom: 816 86L-HB3 B 1.29 ambi=2 { CB:43.64 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } ::sumAvg: 4.975 atom: 815 86L-HB2 B 1.67 ambi=2 { CB:43.64 } atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } ::sumAvg: 3.82 atom: 817 86L-HG G 0.84 ambi=1 { CG:26.7 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 3.69 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.875 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.835 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.835 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.885 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } ::sumAvg: 4.51 atom: 3004 103L-HG G 1.65 ambi=1 { CG:27.189 } atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } ::sumAvg: 4.535 atom: 818 86L-QD D 1.021 ambi=2 { QCD:24.75 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } ::sumAvg: 4.72 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 825 87S-H N 7.899 ambi=1 { N:117.129 } ::sumAvg: 4.845 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } :: atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } ::sumAvg: 4.36 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } ::sumAvg: 4.36 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.755 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } ::sumAvg: 4.755 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 4.955 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 975 102L-HB2 B 1.724 ambi=2 { CB:43.601 } :: atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 976 102L-HB3 B 1.393 ambi=2 { CB:43.601 } ::sumAvg: 4.105 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 977 102L-HG G 1.667 ambi=1 { CG:27.287 } ::sumAvg: 4.7 atom: 826 87S-HA A 4.795 ambi=1 { CA:56.856 } atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } ::sumAvg: 3.69 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.835 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.835 atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } :: atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.56 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 827 87S-HB2 B 3.7 ambi=2 { CB:62.763 } :: atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 828 87S-HB3 B 3.32 ambi=2 { CB:62.763 } ::sumAvg: 4.56 atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } atom: 833 88L-H N 9.163 ambi=1 { N:125.681 } ::sumAvg: 4.99 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.435 atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.435 atom: 849 89M-HB2 B 1.91 ambi=2 { CB:35.95 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } :: atom: 850 89M-HB3 B 1.64 ambi=2 { CB:35.95 } atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } ::sumAvg: 4.505 atom: 834 88L-HA A 5.102 ambi=1 { CA:53.199 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 4.96 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.76 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 3051 101K-HG2 G 1.403 ambi=2 { CG:25.21 } :: atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 3052 101K-HG3 G 1.213 ambi=2 { CG:25.21 } ::sumAvg: 4.425 atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } :: atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.685 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 835 88L-HB2 B 1.95 ambi=2 { CB:44.14 } :: atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 836 88L-HB3 B 1.062 ambi=2 { CB:44.14 } ::sumAvg: 4.685 atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 3.89 atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 4.74 atom: 837 88L-HG G 1.66 ambi=1 { CG:26.64 } atom: 989 103L-HB3 B 1.258 ambi=2 { CB:46.915 } ::sumAvg: 4.99 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.595 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.845 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.845 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.97 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 4.335 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 3051 101K-HG2 G 1.403 ambi=2 { CG:25.21 } :: atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 3052 101K-HG3 G 1.213 ambi=2 { CG:25.21 } ::sumAvg: 4.235 atom: 3051 101K-HG2 G 1.403 ambi=2 { CG:25.21 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } :: atom: 3052 101K-HG3 G 1.213 ambi=2 { CG:25.21 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.235 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.915 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.915 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } ::sumAvg: 4.825 atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.825 atom: 988 103L-HB2 B 1.923 ambi=2 { CB:46.915 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } :: atom: 989 103L-HB3 B 1.258 ambi=2 { CB:46.915 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 3.22 atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } ::sumAvg: 2.84 atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 2.84 atom: 3004 103L-HG G 1.65 ambi=1 { CG:27.189 } atom: 838 88L-QD D 0.482 ambi=2 { QCD:24.99 } ::sumAvg: 4.195 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.995 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 847 89M-H N 8.987 ambi=1 { N:123.211 } ::sumAvg: 4.715 atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.4 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.4 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.195 atom: 861 90L-HG G 0.745 ambi=1 { CG:27.24 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.845 atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 4.95 atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 956 100Y-HB2 B 3.089 ambi=2 { CB:40.81 } :: atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 957 100Y-HB3 B 2.659 ambi=2 { CB:40.81 } ::sumAvg: 4.52 atom: 956 100Y-HB2 B 3.089 ambi=2 { CB:40.81 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } :: atom: 957 100Y-HB3 B 2.659 ambi=2 { CB:40.81 } atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } ::sumAvg: 4.52 atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } ::sumAvg: 4.725 atom: 848 89M-HA A 4.573 ambi=1 { CA:55.175 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 3.685 atom: 849 89M-HB2 B 1.91 ambi=2 { CB:35.95 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } :: atom: 850 89M-HB3 B 1.64 ambi=2 { CB:35.95 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.93 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 4.96 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 4.735 atom: 947 99Y-HA A 4.659 ambi=1 { CA:56.279 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 4.865 atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } :: atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 3.67 atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } atom: 857 90L-H N 9.377 ambi=1 { N:129.861 } ::sumAvg: 3.305 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.43 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.43 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } ::sumAvg: 4.665 atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.665 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 4.705 atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } :: atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } ::sumAvg: 4.965 atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } :: atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } atom: 858 90L-HA A 5.332 ambi=1 { CA:52.282 } ::sumAvg: 4.965 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.515 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.515 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.57 atom: 947 99Y-HA A 4.659 ambi=1 { CA:56.279 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.56 atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } atom: 954 100Y-H N 8.741 ambi=1 { N:119.952 } ::sumAvg: 4.745 atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } atom: 859 90L-QB B 1.92 ambi=2 { CB:42.525 } ::sumAvg: 4.48 atom: 861 90L-HG G 0.745 ambi=1 { CG:27.24 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 4.6 atom: 861 90L-HG G 0.745 ambi=1 { CG:27.24 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 4.99 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 3.255 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.7 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.7 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } ::sumAvg: 4.945 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.945 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 4.385 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 954 100Y-H N 8.741 ambi=1 { N:119.952 } ::sumAvg: 4.915 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.51 atom: 965 101K-QD D 1.48 ambi=2 { CD:29.6 } atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } ::sumAvg: 4.505 atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 3051 101K-HG2 G 1.403 ambi=2 { CG:25.21 } :: atom: 862 90L-QD D 0.78 ambi=2 { QCD:26 } atom: 3052 101K-HG3 G 1.213 ambi=2 { CG:25.21 } ::sumAvg: 3.48 atom: 2044 91T-HG2 G2 0.864 ambi=1 { CG2:20.401 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 3.82 atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } :: atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 4.915 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 871 91T-H N 8.862 ambi=1 { N:119.062 } ::sumAvg: 4.995 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } ::sumAvg: 3.03 atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 3.03 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } ::sumAvg: 4.425 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.425 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 4.495 atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } :: atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } ::sumAvg: 4.495 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 3.135 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 3.595 atom: 872 91T-HA A 4.902 ambi=1 { CA:62.358 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } ::sumAvg: 4.235 atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } ::sumAvg: 4.275 atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 873 91T-HB B 3.884 ambi=1 { CB:70.071 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 4.66 atom: 2044 91T-HG2 G2 0.864 ambi=1 { CG2:20.401 } atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } ::sumAvg: 3.98 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 2044 91T-HG2 G2 0.864 ambi=1 { CG2:20.401 } ::sumAvg: 3.98 atom: 2044 91T-HG2 G2 0.864 ambi=1 { CG2:20.401 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } ::sumAvg: 4.15 atom: 2044 91T-HG2 G2 0.864 ambi=1 { CG2:20.401 } atom: 3044 93K-QD D 1.56 ambi=2 { CD:29.3 } ::sumAvg: 4.665 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 2044 91T-HG2 G2 0.864 ambi=1 { CG2:20.401 } ::sumAvg: 3.805 atom: 920 96N-HA A 4.15 ambi=1 { CA:54.56 } atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } ::sumAvg: 4.77 atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } ::sumAvg: 4.86 atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } ::sumAvg: 3.765 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 879 92D-H N 8.762 ambi=1 { N:126.719 } ::sumAvg: 3.285 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } ::sumAvg: 4.41 atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } ::sumAvg: 4.41 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 889 93K-HB2 B 1.92 ambi=2 { CB:32.179 } :: atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 890 93K-HB3 B 1.439 ambi=2 { CB:32.179 } ::sumAvg: 4.545 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } ::sumAvg: 3.715 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 911 95N-H N 7.18 ambi=1 { N:113.292 } ::sumAvg: 4.52 atom: 880 92D-HA A 4.38 ambi=1 { CA:53.264 } atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } ::sumAvg: 4.62 atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } :: atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } ::sumAvg: 4.98 atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 4.98 atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } ::sumAvg: 3.2 atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 3.2 atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } atom: 920 96N-HA A 4.15 ambi=1 { CA:54.56 } :: atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } atom: 920 96N-HA A 4.15 ambi=1 { CA:54.56 } ::sumAvg: 4.105 atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 4.475 atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } :: atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } ::sumAvg: 3.62 atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } :: atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } ::sumAvg: 3.62 atom: 881 92D-HB2 B 2.774 ambi=2 { CB:40 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } :: atom: 882 92D-HB3 B 1.025 ambi=2 { CB:40 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } ::sumAvg: 3.505 atom: 901 94K-HB2 B 1.948 ambi=2 { CB:32.2 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } :: atom: 902 94K-HB3 B 1.805 ambi=2 { CB:32.2 } atom: 887 93K-H N 7.785 ambi=1 { N:125.071 } ::sumAvg: 4.72 atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } atom: 911 95N-H N 7.18 ambi=1 { N:113.292 } ::sumAvg: 4.705 atom: 888 93K-HA A 3.942 ambi=1 { CA:58.889 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 3.79 atom: 891 93K-QG G 1.31 ambi=2 { CG:25.99 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } ::sumAvg: 4.17 atom: 891 93K-QG G 1.31 ambi=2 { CG:25.99 } atom: 900 94K-HA A 4.19 ambi=1 { CA:58.452 } ::sumAvg: 4.725 atom: 900 94K-HA A 4.19 ambi=1 { CA:58.452 } atom: 891 93K-QG G 1.31 ambi=2 { CG:25.99 } ::sumAvg: 4.725 atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } ::sumAvg: 4.11 atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 899 94K-H N 8.571 ambi=1 { N:118.112 } ::sumAvg: 4.66 atom: 900 94K-HA A 4.19 ambi=1 { CA:58.452 } atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } ::sumAvg: 4.62 atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 900 94K-HA A 4.19 ambi=1 { CA:58.452 } ::sumAvg: 4.62 atom: 900 94K-HA A 4.19 ambi=1 { CA:58.452 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 4.415 atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 901 94K-HB2 B 1.948 ambi=2 { CB:32.2 } :: atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 902 94K-HB3 B 1.805 ambi=2 { CB:32.2 } ::sumAvg: 4.52 atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 901 94K-HB2 B 1.948 ambi=2 { CB:32.2 } :: atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 902 94K-HB3 B 1.805 ambi=2 { CB:32.2 } ::sumAvg: 4.39 atom: 901 94K-HB2 B 1.948 ambi=2 { CB:32.2 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } :: atom: 902 94K-HB3 B 1.805 ambi=2 { CB:32.2 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 4.675 atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } atom: 911 95N-H N 7.18 ambi=1 { N:113.292 } ::sumAvg: 4.565 atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } :: atom: 903 94K-QD D 1.724 ambi=2 { CD:28.914 } atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } ::sumAvg: 4.65 atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 2031 95N-HD21 D2 8.08 ambi=2 { ND2:114.5 } :: atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 2032 95N-HD22 D2 6.76 ambi=2 { ND2:114.5 } ::sumAvg: 4.16 atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 3.36 atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 921 96N-HB2 B 3 ambi=2 { CB:37.273 } :: atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 922 96N-HB3 B 2.711 ambi=2 { CB:37.273 } ::sumAvg: 4.56 atom: 912 95N-HA A 4.774 ambi=1 { CA:52.545 } atom: 927 97Q-H N 7.514 ambi=1 { N:117.381 } ::sumAvg: 4.67 atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 3.36 atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 920 96N-HA A 4.15 ambi=1 { CA:54.56 } ::sumAvg: 4.835 atom: 920 96N-HA A 4.15 ambi=1 { CA:54.56 } atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } ::sumAvg: 4.835 atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } ::sumAvg: 4.665 atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } ::sumAvg: 4.665 atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } ::sumAvg: 2.95 atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 913 95N-QB B 2.655 ambi=2 { CB:39.515 } ::sumAvg: 2.95 atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 919 96N-H N 8.297 ambi=1 { N:117.305 } ::sumAvg: 4.605 atom: 921 96N-HB2 B 3 ambi=2 { CB:37.273 } atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } :: atom: 922 96N-HB3 B 2.711 ambi=2 { CB:37.273 } atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } ::sumAvg: 4.555 atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 921 96N-HB2 B 3 ambi=2 { CB:37.273 } :: atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 922 96N-HB3 B 2.711 ambi=2 { CB:37.273 } ::sumAvg: 4.555 atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 937 98V-HB B 1.606 ambi=1 { CB:33.921 } ::sumAvg: 4.605 atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 928 97Q-HA A 4.353 ambi=1 { CA:55.249 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 3.51 atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 4.65 atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } :: atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } ::sumAvg: 4.65 atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } ::sumAvg: 4.39 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } ::sumAvg: 4.39 atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 4.99 atom: 929 97Q-QB B 1.787 ambi=2 { CB:31.069 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } ::sumAvg: 4 atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } ::sumAvg: 4.915 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } ::sumAvg: 4.915 atom: 2081 97Q-QG G 2.114 ambi=2 { CG:33.75 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } ::sumAvg: 4.585 atom: 947 99Y-HA A 4.659 ambi=1 { CA:56.279 } atom: 937 98V-HB B 1.606 ambi=1 { CB:33.921 } ::sumAvg: 4.935 atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } :: atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.25 atom: 956 100Y-HB2 B 3.089 ambi=2 { CB:40.81 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 957 100Y-HB3 B 2.659 ambi=2 { CB:40.81 } atom: 938 98V-HG1 G1 0.783 ambi=2 { CG1:21.387 } :: atom: 956 100Y-HB2 B 3.089 ambi=2 { CB:40.81 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } :: atom: 957 100Y-HB3 B 2.659 ambi=2 { CB:40.81 } atom: 939 98V-HG2 G2 0.522 ambi=2 { CG2:21.387 } ::sumAvg: 4.22 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } :: atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } ::sumAvg: 4.625 atom: 2046 98V-HA A 4.66 ambi=1 { CA:61.473 } atom: 3196 99Y-QD D 7.099 ambi=3 { CD1:133.64 } ::sumAvg: 3.795 atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } atom: 946 99Y-H N 9.187 ambi=1 { N:125.768 } ::sumAvg: 4.92 atom: 947 99Y-HA A 4.659 ambi=1 { CA:56.279 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.46 atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } atom: 947 99Y-HA A 4.659 ambi=1 { CA:56.279 } ::sumAvg: 4.46 atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } atom: 954 100Y-H N 8.741 ambi=1 { N:119.952 } :: atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } atom: 954 100Y-H N 8.741 ambi=1 { N:119.952 } ::sumAvg: 3.135 atom: 948 99Y-HB2 B 3.083 ambi=2 { CB:42.427 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } :: atom: 949 99Y-HB3 B 2.65 ambi=2 { CB:42.427 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.7 atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } ::sumAvg: 4.575 atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } ::sumAvg: 4.465 atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.465 atom: 963 101K-HB2 B 1.645 ambi=2 { CB:38.041 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } :: atom: 964 101K-HB3 B 1.527 ambi=2 { CB:38.041 } atom: 955 100Y-HA A 5.384 ambi=1 { CA:57.331 } ::sumAvg: 4.52 atom: 956 100Y-HB2 B 3.089 ambi=2 { CB:40.81 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } :: atom: 957 100Y-HB3 B 2.659 ambi=2 { CB:40.81 } atom: 3207 100Y-QE E 6.61 ambi=3 { CE1:117.6 } ::sumAvg: 4.43 atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } atom: 956 100Y-HB2 B 3.089 ambi=2 { CB:40.81 } :: atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } atom: 957 100Y-HB3 B 2.659 ambi=2 { CB:40.81 } ::sumAvg: 4.48 atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } atom: 3206 100Y-QD D 7.09 ambi=3 { CD1:133.43 } ::sumAvg: 4.895 atom: 965 101K-QD D 1.48 ambi=2 { CD:29.6 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 4.255 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 961 101K-H N 8.284 ambi=1 { N:122.148 } ::sumAvg: 4.815 atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.445 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } ::sumAvg: 4.445 atom: 962 101K-HA A 4.629 ambi=1 { CA:55.252 } atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } ::sumAvg: 4.74 atom: 963 101K-HB2 B 1.645 ambi=2 { CB:38.041 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } :: atom: 964 101K-HB3 B 1.527 ambi=2 { CB:38.041 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.79 atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } atom: 973 102L-H N 8.698 ambi=1 { N:127.349 } ::sumAvg: 4.725 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 977 102L-HG G 1.667 ambi=1 { CG:27.287 } ::sumAvg: 3.065 atom: 977 102L-HG G 1.667 ambi=1 { CG:27.287 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 3.065 atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } ::sumAvg: 4.45 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 988 103L-HB2 B 1.923 ambi=2 { CB:46.915 } :: atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 989 103L-HB3 B 1.258 ambi=2 { CB:46.915 } ::sumAvg: 4.37 atom: 974 102L-HA A 5.282 ambi=1 { CA:54.025 } atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } ::sumAvg: 4.645 atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 975 102L-HB2 B 1.724 ambi=2 { CB:43.601 } :: atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 976 102L-HB3 B 1.393 ambi=2 { CB:43.601 } ::sumAvg: 4.925 atom: 977 102L-HG G 1.667 ambi=1 { CG:27.287 } atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } ::sumAvg: 4.27 atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } ::sumAvg: 4.93 atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } :: atom: 1002 104E-HB3 B 1.934 ambi=2 { CB:30.83 } atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } ::sumAvg: 4.595 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 978 102L-QD D 0.848 ambi=2 { QCD:24.98 } ::sumAvg: 4.58 atom: 991 103L-HD2 D2 1.092 ambi=2 { CD2:24.38 } atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } ::sumAvg: 3.47 atom: 3004 103L-HG G 1.65 ambi=1 { CG:27.189 } atom: 986 103L-H N 9.12 ambi=1 { N:126.377 } ::sumAvg: 3.45 atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } :: atom: 987 103L-HA A 4.831 ambi=1 { CA:53.664 } atom: 1002 104E-HB3 B 1.934 ambi=2 { CB:30.83 } ::sumAvg: 4.495 atom: 3004 103L-HG G 1.65 ambi=1 { CG:27.189 } atom: 999 104E-H N 9.19 ambi=1 { N:129.12 } ::sumAvg: 4.435 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 3004 103L-HG G 1.65 ambi=1 { CG:27.189 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 3004 103L-HG G 1.65 ambi=1 { CG:27.189 } ::sumAvg: 4.465 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 999 104E-H N 9.19 ambi=1 { N:129.12 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 999 104E-H N 9.19 ambi=1 { N:129.12 } ::sumAvg: 3.44 atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 1000 104E-HA A 4.818 ambi=1 { CA:56.889 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 3.68 atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } :: atom: 1002 104E-HB3 B 1.934 ambi=2 { CB:30.83 } atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } ::sumAvg: 4.8 atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } atom: 1001 104E-HB2 B 2.154 ambi=2 { CB:30.83 } :: atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } atom: 1002 104E-HB3 B 1.934 ambi=2 { CB:30.83 } ::sumAvg: 4.8 atom: 1003 104E-HG3 G 2.144 ambi=2 { CG:36.1 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } :: atom: 2040 104E-HG2 G 2.198 ambi=2 { CG:36.1 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } ::sumAvg: 3.825 atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } atom: 1009 105V-H N 9.155 ambi=1 { N:125.36 } ::sumAvg: 4.96 atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 4.43 atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } ::sumAvg: 4.43 atom: 1022 106S-HB2 B 4.024 ambi=2 { CB:65.074 } atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } :: atom: 1023 106S-HB3 B 3.921 ambi=2 { CB:65.074 } atom: 1010 105V-HA A 4.661 ambi=1 { CA:61.2 } ::sumAvg: 4.31 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 3.81 atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 1022 106S-HB2 B 4.024 ambi=2 { CB:65.074 } :: atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } atom: 1023 106S-HB3 B 3.921 ambi=2 { CB:65.074 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 1022 106S-HB2 B 4.024 ambi=2 { CB:65.074 } :: atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } atom: 1023 106S-HB3 B 3.921 ambi=2 { CB:65.074 } ::sumAvg: 4.975 atom: 1022 106S-HB2 B 4.024 ambi=2 { CB:65.074 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 1023 106S-HB3 B 3.921 ambi=2 { CB:65.074 } atom: 1012 105V-HG1 G1 1.04 ambi=2 { CG1:23.089 } :: atom: 1022 106S-HB2 B 4.024 ambi=2 { CB:65.074 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } :: atom: 1023 106S-HB3 B 3.921 ambi=2 { CB:65.074 } atom: 1013 105V-HG2 G2 1.098 ambi=2 { CG2:22.024 } ::sumAvg: 4.975 atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } atom: 1020 106S-H N 8.329 ambi=1 { N:119.446 } :: atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 1020 106S-H N 8.329 ambi=1 { N:119.446 } ::sumAvg: 4.99 atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } :: atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 4.53 atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.735 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } ::sumAvg: 4.735 atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 3.445 atom: 1021 106S-HA A 5.485 ambi=1 { CA:56.202 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 3.525 atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } ::sumAvg: 4.84 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 1028 107G-H N 8.57 ambi=1 { N:106.829 } ::sumAvg: 4.19 atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } :: atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } ::sumAvg: 4.505 atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } :: atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } ::sumAvg: 4.505 atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } :: atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.77 atom: 1029 107G-HA2 A 4.074 ambi=2 { CA:45.048 } atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } :: atom: 1030 107G-HA3 A 3.661 ambi=2 { CA:45.048 } atom: 1042 109K-H N 8.085 ambi=1 { N:123.188 } ::sumAvg: 4.405 atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 4.93 atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } atom: 1043 109K-HA A 3.942 ambi=1 { CA:58.476 } ::sumAvg: 4.655 atom: 1043 109K-HA A 3.942 ambi=1 { CA:58.476 } atom: 1035 108F-HA A 4.735 ambi=1 { CA:57.93 } ::sumAvg: 4.655 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 3125 108F-QE E 7.2 ambi=3 { CE1:131 } ::sumAvg: 3.93 atom: 1043 109K-HA A 3.942 ambi=1 { CA:58.476 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.75 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 3.735 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 3.735 atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } :: atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } ::sumAvg: 4.575 atom: 3053 109K-HG2 G 1.54 ambi=2 { CG:25.5 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } :: atom: 3054 109K-HG3 G 1.35 ambi=2 { CG:25.5 } atom: 1036 108F-QB B 2.33 ambi=2 { CB:38.1 } ::sumAvg: 4.575 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 3124 108F-QD D 7.52 ambi=3 { CD1:132.5 } ::sumAvg: 4.24 atom: 1043 109K-HA A 3.942 ambi=1 { CA:58.476 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } ::sumAvg: 4.525 atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 1043 109K-HA A 3.942 ambi=1 { CA:58.476 } ::sumAvg: 4.525 atom: 1043 109K-HA A 3.942 ambi=1 { CA:58.476 } atom: 1056 110S-HB3 B 3.414 ambi=2 { CB:66.584 } ::sumAvg: 4.425 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } ::sumAvg: 4.615 atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } :: atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } ::sumAvg: 4.615 atom: 1044 109K-HB2 B 1.378 ambi=2 { CB:32.82 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } :: atom: 1045 109K-HB3 B 1.227 ambi=2 { CB:32.82 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 4.86 atom: 3055 109K-HD2 D 1.58 ambi=2 { CD:30.107 } atom: 2037 111N-HD21 D2 7.66 ambi=2 { ND2:111.7 } :: atom: 3055 109K-HD2 D 1.58 ambi=2 { CD:30.107 } atom: 2038 111N-HD22 D2 7.006 ambi=2 { ND2:111.7 } :: atom: 3056 109K-HD3 D 1.495 ambi=2 { CD:30.107 } atom: 2037 111N-HD21 D2 7.66 ambi=2 { ND2:111.7 } :: atom: 3056 109K-HD3 D 1.495 ambi=2 { CD:30.107 } atom: 2038 111N-HD22 D2 7.006 ambi=2 { ND2:111.7 } ::sumAvg: 3.9 atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } ::sumAvg: 3.345 atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 1054 110S-HA A 5.328 ambi=1 { CA:55.63 } ::sumAvg: 3.345 atom: 1055 110S-HB2 B 3.825 ambi=2 { CB:66.584 } atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } :: atom: 1056 110S-HB3 B 3.414 ambi=2 { CB:66.584 } atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } ::sumAvg: 4.755 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 1055 110S-HB2 B 3.825 ambi=2 { CB:66.584 } :: atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 1056 110S-HB3 B 3.414 ambi=2 { CB:66.584 } ::sumAvg: 4.755 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 4.445 atom: 2095 112P-HG2 G 1.938 ambi=2 { CG:26.7 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } :: atom: 2096 112P-HG3 G 1.639 ambi=2 { CG:26.7 } atom: 1061 111N-H N 8.217 ambi=1 { N:118.303 } ::sumAvg: 4.925 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 2037 111N-HD21 D2 7.66 ambi=2 { ND2:111.7 } :: atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 2038 111N-HD22 D2 7.006 ambi=2 { ND2:111.7 } ::sumAvg: 4.235 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } ::sumAvg: 4.735 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } ::sumAvg: 4.735 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 2095 112P-HG2 G 1.938 ambi=2 { CG:26.7 } :: atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 2096 112P-HG3 G 1.639 ambi=2 { CG:26.7 } ::sumAvg: 4.63 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 1078 113Y-H N 7.92 ambi=1 { N:119.04 } ::sumAvg: 3.76 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } ::sumAvg: 4.725 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } ::sumAvg: 3.915 atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } ::sumAvg: 3.93 atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 1062 111N-HA A 5.102 ambi=1 { CA:50.26 } ::sumAvg: 3.93 atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } :: atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } ::sumAvg: 4.87 atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } :: atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } ::sumAvg: 4.87 atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } :: atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } :: atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } :: atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } ::sumAvg: 4.57 atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } :: atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } atom: 1063 111N-HB2 B 2.763 ambi=2 { CB:39.6 } :: atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } :: atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } atom: 1064 111N-HB3 B 2.572 ambi=2 { CB:39.6 } ::sumAvg: 4.57 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } ::sumAvg: 4.4 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 1100 115E-H N 8.281 ambi=1 { N:122.028 } ::sumAvg: 4.515 atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } :: atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } ::sumAvg: 4.505 atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } :: atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } atom: 1068 112P-HA A 4.416 ambi=1 { CA:63.49 } ::sumAvg: 4.505 atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } atom: 1079 113Y-HA A 4.57 ambi=1 { CA:57.56 } :: atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } atom: 1079 113Y-HA A 4.57 ambi=1 { CA:57.56 } ::sumAvg: 4.33 atom: 1079 113Y-HA A 4.57 ambi=1 { CA:57.56 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } :: atom: 1079 113Y-HA A 4.57 ambi=1 { CA:57.56 } atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } ::sumAvg: 4.33 atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } :: atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } :: atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } :: atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } ::sumAvg: 4.54 atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } :: atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } atom: 1069 112P-HB2 B 2.197 ambi=2 { CB:32.042 } :: atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } :: atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } atom: 1070 112P-HB3 B 1.688 ambi=2 { CB:32.042 } ::sumAvg: 4.54 atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } :: atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } ::sumAvg: 4.94 atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } :: atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } ::sumAvg: 4.94 atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } ::sumAvg: 4.39 atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } ::sumAvg: 4.305 atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } ::sumAvg: 4.875 atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 1071 112P-QD D 3.7 ambi=2 { CD:50.7 } ::sumAvg: 4.875 atom: 1079 113Y-HA A 4.57 ambi=1 { CA:57.56 } atom: 1100 115E-H N 8.281 ambi=1 { N:122.028 } ::sumAvg: 4.16 atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } :: atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } ::sumAvg: 4.535 atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } :: atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } ::sumAvg: 4.535 atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } :: atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } ::sumAvg: 4.905 atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } atom: 1091 114L-HD1 D1 0.89 ambi=2 { CD1:25 } :: atom: 1080 113Y-HB2 B 3.098 ambi=2 { CB:38.416 } atom: 1092 114L-HD2 D2 0.83 ambi=2 { CD2:23.85 } :: atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } atom: 1091 114L-HD1 D1 0.89 ambi=2 { CD1:25 } :: atom: 1081 113Y-HB3 B 2.912 ambi=2 { CB:38.416 } atom: 1092 114L-HD2 D2 0.83 ambi=2 { CD2:23.85 } ::sumAvg: 4.51 atom: 1087 114L-HA A 4.245 ambi=1 { CA:55.206 } atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } ::sumAvg: 4.575 atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 3216 113Y-QD D 7.104 ambi=3 { CD1:133.1 } ::sumAvg: 4.77 atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } ::sumAvg: 4.935 atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } :: atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } atom: 1086 114L-H N 7.874 ambi=1 { N:123.619 } ::sumAvg: 4.69 atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } ::sumAvg: 4.215 atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } ::sumAvg: 4.215 atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } ::sumAvg: 4.49 atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } ::sumAvg: 4.49 atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } :: atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } ::sumAvg: 4.75 atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } :: atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } atom: 1088 114L-QB B 1.494 ambi=2 { CB:42.537 } ::sumAvg: 4.75 atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } atom: 1111 116H-HA A 4.602 ambi=1 { CA:55.98 } ::sumAvg: 4.835 atom: 1111 116H-HA A 4.602 ambi=1 { CA:55.98 } atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } ::sumAvg: 4.835 atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } ::sumAvg: 4.91 atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } atom: 1101 115E-HA A 4.171 ambi=1 { CA:56.495 } ::sumAvg: 4.91 atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } :: atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } ::sumAvg: 4.85 atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } atom: 1102 115E-HB2 B 1.907 ambi=2 { CB:30.46 } :: atom: 1112 116H-QB B 3 ambi=2 { CB:30.24 } atom: 1103 115E-HB3 B 1.845 ambi=2 { CB:30.46 } ::sumAvg: 4.85 atom: 1104 115E-HG2 G 2.197 ambi=2 { CG:36.133 } atom: 1118 117H-H N 8.13 ambi=1 { N:125.4 } :: atom: 2041 115E-HG3 G 2.141 ambi=2 { CG:36.133 } atom: 1118 117H-H N 8.13 ambi=1 { N:125.4 } ::sumAvg: 4.39