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| Assignment w1 w2 w3 | ||
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| LEU15CA-LEU15N-MET14C 53.698 121.51 173.599 |
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| LEU15CA-LEU15N-MET14C-MET14C 53.698 121.51 173.599 173.599 | ||
| LEU15CA-LEU15N-MET14C-MET14CA 53.698 121.51 173.599 53.491 | ||
| LEU15CA-LEU15N-MET14C-MET14CB 53.698 121.51 173.599 36.519 | ||
| LEU15CA-LEU15N-MET14C-MET14CG 53.698 121.51 173.599 32.126 | ||
| LEU15CA-LEU15N-MET14C-MET14CE 53.698 121.51 173.599 17.201 |
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tests/example_data/NMRSTAR2/peaklists/18569_CBCAcoNH.txt
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| Assignment w1 w2 w3 | ||
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| ALA100CA-GLN101H-GLN101N 54.763 7.99 117.573 | ||
| ALA100CB-GLN101H-GLN101N 18.2 7.99 117.573 | ||
| GLN101CA-PHE102H-PHE102N 58.601 7.779 122.727 | ||
| GLN101CB-PHE102H-PHE102N 28.439 7.779 122.727 | ||
| PHE102CA-ALA103H-ALA103N 62.078 8.653 120.217 | ||
| PHE102CB-ALA103H-ALA103N 40.21 8.653 120.217 | ||
| ALA103CA-ALA104H-ALA104N 55.174 7.725 120.05 | ||
| ALA103CB-ALA104H-ALA104N 18.25 7.725 120.05 | ||
| ALA104CA-GLY105H-GLY105N 54.625 7.624 108.8 | ||
| ALA104CB-GLY105H-GLY105N 17.714 7.624 108.8 | ||
| GLY105CA-MET106H-MET106N 46.955 8.122 121.943 | ||
| MET106CA-ALA107H-ALA107N 56.158 7.948 120.063 | ||
| MET106CB-ALA107H-ALA107N 30.011 7.948 120.063 | ||
| ALA107CA-SER108H-SER108N 55.03 7.623 114.205 | ||
| ALA107CB-SER108H-SER108N 17.492 7.623 114.205 | ||
| SER108CA-ALA109H-ALA109N 61.617 7.576 126.267 | ||
| SER108CB-ALA109H-ALA109N 62.493 7.576 126.267 | ||
| LEU110CA-GLU111H-GLU111N 57.874 7.882 118.765 | ||
| LEU110CB-GLU111H-GLU111N 40.727 7.882 118.765 | ||
| GLU111CA-ALA112H-ALA112N 59.097 7.516 122.311 | ||
| GLU111CB-ALA112H-ALA112N 29.494 7.516 122.311 | ||
| ALA112CA-LEU113H-LEU113N 54.447 7.787 117.476 | ||
| ALA112CB-LEU113H-LEU113N 18.647 7.787 117.476 | ||
| LEU113CA-GLU114H-GLU114N 56.14 7.617 118.58 | ||
| LEU113CB-GLU114H-GLU114N 43.249 7.617 118.58 | ||
| GLU114CA-GLY115H-GLY115N 57.005 7.593 113.447 | ||
| GLU114CB-GLY115H-GLY115N 30.079 7.593 113.447 | ||
| THR12CA-VAL13H-VAL13N 62.584 8.283 128.236 | ||
| THR12CB-VAL13H-VAL13N 68.781 8.283 128.236 | ||
| VAL13CA-MET14H-MET14N 62.831 9.939 130.06 | ||
| VAL13CB-MET14H-MET14N 31.259 9.939 130.06 | ||
| MET14CA-LEU15H-LEU15N 53.491 9.649 121.51 | ||
| MET14CB-LEU15H-LEU15N 36.519 9.649 121.51 | ||
| LEU15CA-TYR16H-TYR16N 53.698 8.134 125.37 | ||
| LEU15CB-TYR16H-TYR16N 46.369 8.134 125.37 | ||
| TYR16CA-ASP17H-ASP17N 58.201 8.108 128.675 | ||
| TYR16CB-ASP17H-ASP17N 38.381 8.108 128.675 | ||
| ASP17CA-ASP18H-ASP18N 51.855 8.332 124.093 | ||
| ASP17CB-ASP18H-ASP18N 41.313 8.332 124.093 | ||
| ASP18CA-GLY19H-GLY19N 56.451 8.338 106.993 | ||
| ASP18CB-GLY19H-GLY19N 41.783 8.338 106.993 | ||
| ASN20CA-LYS21H-LYS21N 52.87 7.677 118.573 | ||
| ASN20CB-LYS21H-LYS21N 39.512 7.677 118.573 | ||
| LYS21CA-ARG22H-ARG22N 56.512 6.984 114.101 | ||
| LYS21CB-ARG22H-ARG22N 28.845 6.984 114.101 | ||
| ARG22CA-TRP23H-TRP23N 53.919 8.708 121.872 | ||
| ARG22CB-TRP23H-TRP23N 33.552 8.708 121.872 | ||
| TRP23CA-LEU24H-LEU24N 56.944 9.121 123.522 | ||
| TRP23CB-LEU24H-LEU24N 30.986 9.121 123.522 | ||
| PRO25CA-ALA26H-ALA26N 63.092 8.411 126.264 | ||
| PRO25CB-ALA26H-ALA26N 31.512 8.411 126.264 | ||
| ALA26CA-GLY27H-GLY27N 51.976 8.905 110.873 | ||
| ALA26CB-GLY27H-GLY27N 20.558 8.905 110.873 | ||
| GLY27CA-THR28H-THR28N 44.335 8.69 111.793 | ||
| THR28CA-GLY29H-GLY29N 60.747 8.527 109.585 | ||
| THR28CB-GLY29H-GLY29N 71.535 8.527 109.585 | ||
| PRO30CA-GLN31H-GLN31N 62.903 8.478 122.598 | ||
| PRO30CB-GLN31H-GLN31N 32.193 8.478 122.598 | ||
| GLN31CA-ALA32H-ALA32N 56.708 8.862 127.222 | ||
| GLN31CB-ALA32H-ALA32N 28.854 8.862 127.222 | ||
| ALA32CA-PHE33H-PHE33N 51.344 8.571 118.405 | ||
| ALA32CB-PHE33H-PHE33N 22.619 8.571 118.405 | ||
| PHE33CA-SER34H-SER34N 59.551 8.83 115.301 | ||
| PHE33CB-SER34H-SER34N 41.091 8.83 115.301 | ||
| SER34CA-ARG35H-ARG35N 59.113 8.576 122.605 | ||
| SER34CB-ARG35H-ARG35N 66.248 8.576 122.605 | ||
| ARG35CA-VAL36H-VAL36N 55.271 9.424 129.726 | ||
| ARG35CB-VAL36H-VAL36N 30.118 9.424 129.726 | ||
| VAL36CA-GLN37H-GLN37N 61.39 9.17 124.25 | ||
| VAL36CB-GLN37H-GLN37N 32.61 9.17 124.25 | ||
| GLN37CA-ILE38H-ILE38N 53.887 7.603 118.455 | ||
| GLN37CB-ILE38H-ILE38N 34.389 7.603 118.455 | ||
| ILE38CA-TYR39H-TYR39N 60.692 9.485 127.018 | ||
| ILE38CB-TYR39H-TYR39N 39.397 9.485 127.018 | ||
| HIS40CA-ASN41H-ASN41N 52.293 8.51 126.051 | ||
| HIS40CB-ASN41H-ASN41N 35.193 8.51 126.051 | ||
| PRO42CA-THR43H-THR43N 63.941 7.728 114.132 | ||
| PRO42CB-THR43H-THR43N 32.136 7.728 114.132 | ||
| THR43CA-ALA44H-ALA44N 65.459 6.951 122.007 | ||
| THR43CB-ALA44H-ALA44N 68.353 6.951 122.007 | ||
| ALA44CA-ASN45H-ASN45N 51.536 7.921 117.265 | ||
| ALA44CB-ASN45H-ASN45N 19.292 7.921 117.265 | ||
| ASN45CA-SER46H-SER46N 53.705 7.552 109.443 | ||
| ASN45CB-SER46H-SER46N 37.167 7.552 109.443 | ||
| SER46CA-PHE47H-PHE47N 55.939 9.372 120.023 | ||
| SER46CB-PHE47H-PHE47N 66.829 9.372 120.023 | ||
| PHE47CA-ARG48H-ARG48N 56.725 8.921 119.124 | ||
| PHE47CB-ARG48H-ARG48N 44.882 8.921 119.124 | ||
| ARG48CA-VAL49H-VAL49N 54.909 9.211 122.816 | ||
| ARG48CB-VAL49H-VAL49N 34.031 9.211 122.816 | ||
| VAL50CA-GLY51H-GLY51N 60.446 9.055 116.065 | ||
| VAL50CB-GLY51H-GLY51N 35.446 9.055 116.065 | ||
| GLY51CA-ARG52H-ARG52N 44.938 8.132 123.679 | ||
| ARG52CA-LYS53H-LYS53N 53.916 9.187 125.424 | ||
| ARG52CB-LYS53H-LYS53N 33.805 9.187 125.424 | ||
| LYS53CA-MET54H-MET54N 58.252 8.933 122.493 | ||
| LYS53CB-MET54H-MET54N 34.989 8.933 122.493 | ||
| MET54CA-GLN55H-GLN55N 55.343 8.292 120.554 | ||
| MET54CB-GLN55H-GLN55N 30.261 8.292 120.554 | ||
| PRO56CA-ASP57H-ASP57N 66.814 8.258 113.244 | ||
| PRO56CB-ASP57H-ASP57N 31.993 8.258 113.244 | ||
| ASP57CA-GLN58H-GLN58N 54.317 8.384 116.233 | ||
| ASP57CB-GLN58H-GLN58N 39.78 8.384 116.233 | ||
| GLN58CA-GLN59H-GLN59N 55.909 7.49 116.333 | ||
| GLN58CB-GLN59H-GLN59N 28.063 7.49 116.333 | ||
| VAL60CA-VAL61H-VAL61N 63.331 8.433 120.59 | ||
| VAL60CB-VAL61H-VAL61N 31.763 8.433 120.59 | ||
| VAL61CA-ILE62H-ILE62N 61.194 7.259 116.906 | ||
| VAL61CB-ILE62H-ILE62N 33.183 7.259 116.906 | ||
| ILE62CA-ASN63H-ASN63N 60.662 8.178 125.561 | ||
| ILE62CB-ASN63H-ASN63N 39.273 8.178 125.561 | ||
| ASN63CA-CYS64H-CYS64N 52.709 8.896 120.238 | ||
| ASN63CB-CYS64H-CYS64N 37.6 8.896 120.238 | ||
| CYS64CA-ALA65H-ALA65N 56.027 8.89 127.393 | ||
| CYS64CB-ALA65H-ALA65N 31.233 8.89 127.393 | ||
| ALA65CA-ILE66H-ILE66N 52.485 8.216 123.527 | ||
| ALA65CB-ILE66H-ILE66N 19.507 8.216 123.527 | ||
| ILE66CA-VAL67H-VAL67N 61.086 6.834 118.36 | ||
| ILE66CB-VAL67H-VAL67N 37.702 6.834 118.36 | ||
| VAL67CA-ARG68H-ARG68N 59.094 8.486 120.016 | ||
| VAL67CB-ARG68H-ARG68N 35.304 8.486 120.016 | ||
| ARG68CA-GLY69H-GLY69N 58.328 9.05 113.924 | ||
| ARG68CB-GLY69H-GLY69N 30.302 9.05 113.924 | ||
| VAL70CA-LYS71H-LYS71N 63.926 8.471 126.505 | ||
| VAL70CB-LYS71H-LYS71N 32.265 8.471 126.505 | ||
| LYS71CA-TYR72H-TYR72N 54.368 8.761 128.275 | ||
| LYS71CB-TYR72H-TYR72N 33.073 8.761 128.275 | ||
| TYR72CA-ASN73H-ASN73N 57.624 9.14 127.063 | ||
| TYR72CB-ASN73H-ASN73N 40.549 9.14 127.063 | ||
| ASN73CA-GLN74H-GLN74N 52.361 8.78 125.736 | ||
| ASN73CB-GLN74H-GLN74N 41.363 8.78 125.736 | ||
| GLN74CA-ALA75H-ALA75N 54.567 7.752 129.805 | ||
| GLN74CB-ALA75H-ALA75N 26.375 7.752 129.805 | ||
| ALA75CA-THR76H-THR76N 55.83 8.788 109.946 | ||
| ALA75CB-THR76H-THR76N 19.133 8.788 109.946 | ||
| PRO77CA-ASN78H-ASN78N 65.271 7.836 109.677 | ||
| PRO77CB-ASN78H-ASN78N 31.964 7.836 109.677 | ||
| ASN78CA-PHE79H-PHE79N 53.077 7.91 123.29 | ||
| ASN78CB-PHE79H-PHE79N 40.441 7.91 123.29 | ||
| HIS80CA-GLN81H-GLN81N 51.688 8.822 115.637 | ||
| HIS80CB-GLN81H-GLN81N 35.309 8.822 115.637 | ||
| GLN81CA-TRP82H-TRP82N 54.252 9.103 119.786 | ||
| GLN81CB-TRP82H-TRP82N 33.853 9.103 119.786 | ||
| TRP82CA-ARG83H-ARG83N 57.803 8.47 120.043 | ||
| TRP82CB-ARG83H-ARG83N 32.955 8.47 120.043 | ||
| ARG83CA-ASP84H-ASP84N 54.835 8.941 126.637 | ||
| ARG83CB-ASP84H-ASP84N 33.292 8.941 126.637 | ||
| ASP84CA-ALA85H-ALA85N 52.667 8.518 121.368 | ||
| ASP84CB-ALA85H-ALA85N 42.816 8.518 121.368 | ||
| ALA85CA-ARG86H-ARG86N 55.008 8.644 116.981 | ||
| ALA85CB-ARG86H-ARG86N 18.366 8.644 116.981 | ||
| ARG86CA-GLN87H-GLN87N 56.544 8.618 119.852 | ||
| ARG86CB-GLN87H-GLN87N 32.381 8.618 119.852 | ||
| GLN87CA-VAL88H-VAL88N 55.072 8.191 121.512 | ||
| GLN87CB-VAL88H-VAL88N 31.909 8.191 121.512 | ||
| VAL88CA-TRP89H-TRP89N 61.738 8.463 127.545 | ||
| VAL88CB-TRP89H-TRP89N 32.668 8.463 127.545 | ||
| GLY90CA-LEU91H-LEU91N 44.355 8.484 121.864 | ||
| LEU91CA-ASN92H-ASN92N 52.646 8.08 120.039 | ||
| LEU91CB-ASN92H-ASN92N 44.606 8.08 120.039 | ||
| ASN92CA-PHE93H-PHE93N 50.977 9.021 124.4 | ||
| ASN92CB-PHE93H-PHE93N 39.785 9.021 124.4 | ||
| PHE93CA-GLY94H-GLY94N 59.816 9.178 107.35 | ||
| PHE93CB-GLY94H-GLY94N 41.723 9.178 107.35 | ||
| GLY94CA-SER95H-SER95N 46.362 7.621 110.313 | ||
| SER95CA-LYS96H-LYS96N 57.013 9.119 122.924 | ||
| SER95CB-LYS96H-LYS96N 66.501 9.119 122.924 | ||
| LYS96CA-GLU97H-GLU97N 59.083 8.869 122.099 | ||
| LYS96CB-GLU97H-GLU97N 32.053 8.869 122.099 | ||
| GLU97CA-ASP98H-ASP98N 60.601 7.871 120.72 | ||
| GLU97CB-ASP98H-ASP98N 28.533 7.871 120.72 | ||
| ASP98CA-ALA99H-ALA99N 57.799 7.18 122.763 | ||
| ASP98CB-ALA99H-ALA99N 42.138 7.18 122.763 |
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