Assignment w1 w2 A3H-N 124.506 8.327 I4H-N 119.791 7.979 F5H-N 125.359 8.311 K7H-N 121.455 8.455 Q8H-N 121.193 8.266 Y9H-N 122.861 8.072 I11H-N 119.612 8.188 I12H-N 129.383 9.022 N13H-N 125.291 8.855 F14H-N 120.012 8.733 T15H-N 118.972 6.226 T16H-N 115.567 8.192 A17H-N 128.219 8.049 G18H-N 116.347 8.914 A19H-N 120.612 6.99 T20H-N 110.377 8.725 V21H-N 119.64 9.207 Q22H-N 120.909 8.567 S23H-N 120.044 8.961 Y24H-N 127.743 8.986 T25H-N 117.52 8.532 N26H-N 119.958 8.769 F27H-N 122.958 7.708 I28H-N 119.809 8.025 R29H-N 118.991 8.523 A30H-N 124.421 8.008 V31H-N 120.201 8.205 R32H-N 116.937 8.661 G33H-N 106.367 8.502 R34H-N 118.743 7.619 L35H-N 118.604 7.766 T36H-N 104.341 7.499 T37H-N 116.364 7.906 G38H-N 112.341 8.745 A39H-N 121.234 7.867 D40H-N 120.201 8.273 V41H-N 124.32 8.159 R42H-N 125.447 8.541 I45H-N 124.814 8.137 V47H-N 122.532 8.573 L48H-N 127.595 8.778 N50H-N 119.433 8.019 R51H-N 124.452 8.571 V52H-N 119.882 7.273 G53H-N 115.797 8.604 L54H-N 124.927 7.033 I56H-N 123.319 8.57 N57H-N 119.493 8.483 Q58H-N 117.752 7.961 R59H-N 116.599 7.14 F60H-N 110.404 6.403 I61H-N 115.391 8.88 L62H-N 123.535 9.071 V63H-N 120.468 9.336 E64H-N 130.788 9.3 L65H-N 128.91 9.394 S66H-N 114.512 8.315 N67H-N 118.485 7.915 A69H-N 121.404 7.299 E70H-N 111.69 8.077 L71H-N 119.878 7.425 S72H-N 112.845 7.258 V73H-N 115.862 8.893 T74H-N 117.263 9.005 L75H-N 126.588 10.154 A76H-N 122.43 8.564 L77H-N 124.341 9.649 D78H-N 122.959 8.936 M79H-N 128.199 9.138 T80H-N 102.111 8.98 N81H-N 115.21 7.165 N81HD21-ND2 113.091 6.968 N81HD22-ND2 113.091 7.632 A82H-N 120.158 9.251 A83H-N 119.754 8.473 V84H-N 120.319 8.277 V85H-N 118.423 9.073 G86H-N 109.279 7.977 Y87H-N 117.935 9.695 A89H-N 127.996 8.58 G90H-N 112.705 9.394 S92H-N 115.491 7.999 A93H-N 122.994 8.277 Y94H-N 118.272 8.322 F95H-N 117.187 8.482 F96H-N 118.607 7.549 D99H-N 120.988 9.518 N100H-N 109.805 7.321 D103H-N 123.505 8.763 A104H-N 121.49 7.781 E105H-N 117.025 7.827 A106H-N 125.021 8.283 I107H-N 107.943 7.84 T108H-N 111.537 7.322 H109H-N 117.411 7.549 L110H-N 120.445 7.273 F111H-N 119.097 9.318 T112H-N 108.566 8.319 D113H-N 117.864 9.169 V114H-N 115.683 7.272 Q115H-N 121.727 7.964 N116H-N 115.784 7.521 R117H-N 122.129 8.148 Y118H-N 123.833 8.646 T119H-N 120.368 8.547 F120H-N 127.278 9.174 A121H-N 120.245 9.038 F122H-N 111.759 6.759 G123H-N 109.084 8.566 G124H-N 104.02 7.926 N125H-N 115.498 7.414 Y126H-N 119.49 8.496 D127H-N 116.651 8.51 R128H-N 117.891 7.672 L129H-N 117.98 8.073 E130H-N 119.074 9.518 Q131H-N 119.638 7.42 L132H-N 119.522 7.903 A133H-N 117.948 8.696 G134H-N 105.596 7.876 N135H-N 116.245 7.685 L136H-N 115.744 8.096 R137H-N 120.923 9.488 E138H-N 115.702 9.862 N139H-N 114.999 8.056 I140H-N 122.006 7.404 E141H-N 126.934 8.668 L142H-N 115.719 7.331 G143H-N 104.039 7.152 N144H-N 123.067 9.587 G145H-N 105.977 9.238 L147H-N 118.593 7.813 E148H-N 122.134 8.726 E149H-N 118.565 8.219 A150H-N 125.233 8.929 I151H-N 118.899 8.414 S152H-N 114.144 7.278 A153H-N 122.492 8.225 L154H-N 119.756 8.673 Y155H-N 122.182 8.391 Y156H-N 117.16 8.91 Y157H-N 123.199 7.785 S158H-N 112.565 7.985 T159H-N 109.812 7.171 G160H-N 109.145 7.37 G161H-N 107.442 8.311 T162H-N 115.718 7.095 Q163H-N 125.748 9.036 T166H-N 112.821 6.94 L167H-N 129.017 8.3 A168H-N 120.385 8.66 R169H-N 118.122 8.248 S170H-N 114.609 7.963 F171H-N 122.202 8.706 I173H-N 120.949 7.943 C174H-N 116.681 8.274 I175H-N 118.146 9.499 Q176H-N 115.364 7.47 M177H-N 110.94 8.138 I178H-N 115.559 7.797 S179H-N 115.583 7.194 A181H-N 119.213 6.521 A182H-N 117.288 7.996 R183H-N 114.267 7.745 F184H-N 112.992 8.226 Q185H-N 128.882 8.911 Y186H-N 116.583 8.263 I187H-N 116.943 7.012 E188H-N 124.205 8.53 G189H-N 106.172 8.614 E190H-N 121.594 7.616 M191H-N 121.187 8.338 R192H-N 121.2 8.996 T193H-N 115.12 8.368 R194H-N 119.194 6.974 I195H-N 120.278 8.081 R196H-N 122.244 8.884 Y197H-N 112.321 7.309 N198H-N 119.43 8.009 R199H-N 116.981 8.823 R200H-N 120.442 8.582 S201H-N 112.363 8.261 D204H-N 120.026 7.336 S206H-N 115.542 8.852 V207H-N 123.495 7.239 I208H-N 119.634 7.437 T209H-N 110.662 8.303 L210H-N 123.879 6.842 E211H-N 115.678 7.678 N212H-N 114.557 8.283 S213H-N 112.677 7.931 W214H-N 124.111 7.821 W214HE1-NE1 129.296 10.668 R216H-N 124.269 8.264 L217H-N 120.435 9.242 S218H-N 114.513 8.01 T219H-N 118.586 7.904 A220H-N 122.447 8.069 I221H-N 114.906 8.214 Q222H-N 118.257 7.653 E223H-N 117.105 8.16 S224H-N 115.61 7.167 G227H-N 104.737 7.515 A228H-N 121.364 7.578 F229H-N 123.532 8.321 A230H-N 125.809 8.778 S231H-N 110.568 7.629 I233H-N 120.395 8.098 Q234H-N 125.761 8.498 L235H-N 125.336 8.306 Q236H-N 114.495 7.329 R237H-N 119.155 8.917 R238H-N 119.333 8.608 N239H-N 111.562 7.679 G240H-N 107.787 8.275 S241H-N 116.455 7.945 K242H-N 121.646 8.677 F243H-N 120.003 8.738 S244H-N 116.52 8.609 V245H-N 121.893 8.921 Y246H-N 121.544 9.043 D247H-N 118.464 7.2 V248H-N 116.796 8.064 S249H-N 117.424 8.705 I250H-N 118.551 7.253 L251H-N 116.414 7.954 I252H-N 124.218 7.559 I254H-N 117.023 7.925 I255H-N 120.949 8.422 A256H-N 127.453 9.201 L257H-N 112.798 7.721 M258H-N 116.334 8.414 V259H-N 119.997 6.162 C262H-N 115.078 7.461 A263H-N 125.907 8.527 S267H-N 115.862 8.459 S268H-N 117.439 8.346 Q269H-N 122.237 8.307 F270H-N 125.762 7.778