Assignment w1 w2 A1H-N 126.46 8.302 S3H-N 114.698 8.155 Y4H-N 121.455 8.575 H5H-N 116.807 8.832 V6H-N 123.41 8.808 V7H-N 130.402 8.926 R8H-N 128.503 8.359 G9H-N 116.291 8.68 D10H-N 118.289 8.379 A12H-N 122.816 8.374 T13H-N 107.319 8.103 A14H-N 126.908 7.501 T15H-N 111.85 7.935 E16H-N 125.062 8.63 G17H-N 107.399 8.152 V18H-N 118.551 7.026 I19H-N 125.637 7.66 I20H-N 130.217 8.437 N21H-N 121.021 8.506 A22H-N 133.854 5.97 A23H-N 126.007 8.478 N24H-N 110.614 8.317 N24HD21-ND2 110.812 7.255 N24HD22-ND2 110.812 6.576 S25H-N 114.818 9.143 K26H-N 120.278 8.068 G27H-N 110.636 8.128 Q28H-N 116.504 7.198 G30H-N 123.303 8.216 G32H-N 107.063 8.227 V33H-N 115.027 8.275 G35H-N 106.791 7.828 A36H-N 126.534 7.752 L37H-N 118.134 8.944 Y38H-N 122.432 8.953 K39H-N 115.03 7.201 K40H-N 116.536 6.592 F41H-N 116.752 8.606 E43H-N 117.579 9.351 S44H-N 117.548 8.433 F45H-N 122.364 7.986 D46H-N 120.056 7.751 L47H-N 116.082 8.656 Q48H-N 117.432 7.413 Q48HE21-NE2 113.314 6.79 Q48HE22-NE2 113.314 7.225 I50H-N 123.487 7.953 E51H-N 125.698 8.206 V52H-N 120.429 7.996 G53H-N 116.942 9.118 K54H-N 118.331 7.892 A55H-N 115.44 7.607 R56H-N 121.368 8.796 L57H-N 130.906 8.895 V58H-N 129.336 9.288 K59H-N 129.322 8.689 G60H-N 111.054 7.386 A61H-N 122.049 8.205 A62H-N 118.666 8.398 K63H-N 116.529 7.469 H64H-N 129.082 8.587 I65H-N 122.172 8.395 I66H-N 126.559 8.404 H67H-N 130.873 9.016 A68H-N 129.293 8.601 V69H-N 121.364 7.55 G70H-N 115.153 8.843 N72H-N 115.273 7.729 F73H-N 123.707 8.932 N74H-N 114.738 7.954 K75H-N 116.595 7.949 V76H-N 116.417 7.315 S77H-N 118.142 8.326 E78H-N 120.254 8.751 V79H-N 119.385 8.17 E80H-N 121.92 7.545 G81H-N 106.911 8.86 D82H-N 121.616 8.205 K83H-N 116.451 6.893 Q84H-N 119.165 7.666 L85H-N 121.95 8.326 A86H-N 121.073 7.224 E87H-N 118.526 7.917 A88H-N 123.735 8.257 Y89H-N 113.524 7.327 E90H-N 123.027 8.326 S91H-N 118.96 9.142 I92H-N 122.788 7.652 A93H-N 122.061 8.294 K94H-N 117.458 7.899 I95H-N 119.226 7.133 V96H-N 123.002 8.448 N97H-N 118.212 8.404 D98H-N 121.541 8.975 N99H-N 113.861 7.325 N100H-N 117.891 7.737 Y101H-N 116.454 7.631 K102H-N 120.836 8.709 S103H-N 114.905 7.79 V104H-N 121.009 8.246 A105H-N 129.842 8.396 I106H-N 123.805 9.562 L108H-N 114.872 8.355 L109H-N 128.802 7.857 S110H-N 115.245 10.194 T111H-N 106.779 7.034 G112H-N 119.276 9.818 F114H-N 121.752 9.262 S115H-N 114.605 8.225 G116H-N 113.227 8.577 N117H-N 114.845 8.279 K118H-N 117.684 6.807 D119H-N 123.769 8.494 R120H-N 126.881 8.46 L121H-N 124.176 7.94 T122H-N 114.231 8.371 Q123H-N 123.205 7.733 S124H-N 111.814 8.547 L125H-N 118.806 8.754 N126H-N 116.372 8.301 N126HD21-ND2 113.414 6.631 N126HD22-ND2 113.414 7.221 H127H-N 118.174 6.952 L128H-N 127.1 7.494 L129H-N 119.812 8.453 T130H-N 113.368 7.557 A131H-N 120.802 7.354 L132H-N 123.197 9.368 D133H-N 121.616 8.265 T134H-N 108.961 7.565 T135H-N 116.496 7.849 D136H-N 116.763 8.151 A137H-N 121.828 7.25 D138H-N 119.326 8.077 V139H-N 128.937 8.867 A140H-N 132.149 9.147 I141H-N 126.308 8.897 Y142H-N 129.486 8.791 C143H-N 114.605 8.888 R144H-N 115.981 8.449 D145H-N 120.047 7.251 K147H-N 121.281 8.523 W148H-N 121.554 8.348 W148HE1-NE1 130.848 10.311 E149H-N 121.343 8.322 M150H-N 116.923 7.767 T151H-N 119.106 7.952 L152H-N 123.286 8.932 K153H-N 118.841 8.512 E154H-N 119.747 7.709 A155H-N 122.258 7.872 V156H-N 116.298 8.246 A157H-N 123.046 7.686 R158H-N 116.731 7.692 R159H-N 119.61 7.303 E160H-N 121.211 8.032