Assignment w1 w2 K3H-N 122.15 8.586 R4H-N 122.278 8.662 M5H-N 122.046 8.49 K6H-N 123.768 8.472 V7H-N 122.46 8.23 K8H-N 126.119 8.453 H9H-N 121.065 8.559 D11H-N 118.362 8.216 H12H-N 113.578 7.692 Y13H-N 116.271 8.493 E14H-N 120.84 8.873 L15H-N 125.807 8.957 I16H-N 125.332 8.549 V17H-N 129.307 9.456 D18H-N 128.884 9.144 G19H-N 102.41 8.21 R20H-N 122.605 7.938 R20HE-NE 86.565 7.152 V21H-N 123.769 8.157 Y22H-N 124.842 8.981 Y23H-N 120.511 9.235 I24H-N 124.93 9.136 C25H-N 127.535 9.016 I26H-N 129.645 8.295 V27H-N 123.791 8.993 C28H-N 117.267 8.307 K29H-N 117.95 8.169 R30H-N 121.27 8.071 R30HE-NE 88.565 7.387 S31H-N 112.997 7.553 Y32H-N 121.115 8.958 V33H-N 119.39 9.988 C34H-N 113.8 7.518 L35H-N 129.535 8.602 T36H-N 108.833 8.087 S37H-N 119.009 7.23 L38H-N 127.365 7.114 R39H-N 119.955 8.1 R39HE-NE 89.816 8.89 R40H-N 120.947 7.802 R40HE-NE 80.815 7.773 H41H-N 116.82 7.809 H41HD1-ND1 175.97 12.785 F42H-N 118.415 8.898 N43H-N 114.08 8.678 N43HD21-ND2 118.829 8.681 N43HD22-ND2 118.829 8.431 I44H-N 114.035 7.919 H45H-N 113.136 7.17 S46H-N 112.852 7.886 W47H-N 122.824 9.274 W47HE1-NE1 128.756 9.749 E48H-N 119.673 7.828 K49H-N 118.358 9.085 K50H-N 118.859 8.238 Y51H-N 117.305 7.788 C53H-N 126.569 9.21 R54H-N 130.294 9.724 R54HE-NE 88.815 10.044 Y55H-N 122.622 10.439 C56H-N 122.873 8.462 E57H-N 115.906 8.704 K58H-N 125.068 8.696 V59H-N 119.525 8.054 F60H-N 122.568 8.167 L62H-N 122.335 6.587 A63H-N 126.722 7.698 E64H-N 119.354 9.535 Y65H-N 114.592 6.552 R66H-N 119.82 7.016 R66HE-NE 86.315 8.171 T67H-N 120.08 8.41 K68H-N 117.252 8.012 H69H-N 118.983 7.536 E70H-N 122.073 9.54 I71H-N 121.307 8.275 H72H-N 118.514 7.744 H73H-N 115.805 7.537 T74H-N 109.469 7.991 G75H-N 113.407 8.53 E76H-N 123.901 7.301 R77H-N 128.505 8.752 R77HE-NE 86.065 7.077 R78H-N 121.815 9.44 R78HE-NE 81.815 9.452 Y79H-N 116.087 8.287 Q80H-N 125.096 9.656 Q80HE21-NE2 112.052 7.661 Q80HE22-NE2 112.052 7.001 C81H-N 128.697 9.427 L82H-N 130.168 8.632 A83H-N 125.048 8.847 C84H-N 113.388 8.146 G85H-N 114.264 8.104 K86H-N 123.318 8.043 S87H-N 115.947 7.864 F88H-N 117.815 9.488 I89H-N 118.092 9.306 N90H-N 114.751 7.387 N90HD21-ND2 110.044 7.668 N90HD22-ND2 110.044 5.896 Y91H-N 118.833 8.243 Q92H-N 119.525 8.524 Q92HE21-NE2 116.019 7.172 Q92HE22-NE2 116.019 6.96 F93H-N 118.625 8.904 M94H-N 120.996 7.153 S95H-N 115.706 8.918 S96H-N 114.335 7.933 H97H-N 120.659 7.594 I98H-N 120.858 8.64 K99H-N 118.876 8.463 S100H-N 112.612 7.997 V101H-N 120.208 8.615 H102H-N 113.735 7.067 S103H-N 112.537 7.325 Q104H-N 117.032 7.48 Q104HE21-NE2 111.117 7.396 Q104HE22-NE2 111.117 6.727 D105H-N 118.953 8.173 S107H-N 114.986 8.387 G108H-N 111.279 8.554 D109H-N 121.402 8.386 S110H-N 115.668 8.015 K111H-N 120.544 8.453 L112H-N 119.514 8.391 Y113H-N 115.291 7.625 R114H-N 120.321 9.141 L115H-N 129.013 8.581 H116H-N 127.447 9.132 C118H-N 124.057 9.475 R119H-N 130.942 11.22 S120H-N 117.243 9.571 L121H-N 121.308 7.369 Q122H-N 122.109 8.599 Q122HE21-NE2 112.789 7.612 Q122HE22-NE2 112.789 6.836 I123H-N 118.085 7.635 R124H-N 123.8 9.075 R124HE-NE 85.065 6.697 Q125H-N 124.29 8.495 Q125HE21-NE2 113.273 7.671 Q125HE22-NE2 113.273 6.909 Y126H-N 121.829 7.966 A127H-N 129.272 9.54 Y128H-N 115.845 8.496 L129H-N 120.764 7.299 S130H-N 114.419 7.896 D131H-N 122.293 8.257 R132H-N 121.398 8.234 S133H-N 122.8 8.047