Assignment w1 w2 Y5H-N 119.047 8.036 R6H-N 123.087 8.006 K7H-N 122.863 8.23 K8H-N 122.994 8.388 G9H-N 110.439 8.484 T14H-N 113.864 8.171 T15H-N 116.881 8.304 V16H-N 122.85 8.236 G17H-N 112.524 8.537 E35H-N 118.148 7.693 Y36H-N 118.373 7.877 S37H-N 114.503 9.289 F38H-N 115.979 8.015 I39H-N 118.147 9.107 Q40H-N 127.893 8.925 F41H-N 126.317 9.855 V42H-N 121.896 9.693 D43H-N 126.767 8.29 L45H-N 118.896 7.944 T46H-N 103.263 6.664 G47H-N 112.386 8.832 A48H-N 124.064 7.985 Q49H-N 116.04 8.308 Q49HE21-NE2 110.393 7.688 Q49HE22-NE2 110.393 6.646 I50H-N 122.883 9.177 E51H-N 128.206 8.793 E52H-N 127.088 9.421 N53H-N 117.398 9.091 N53HD21-ND2 114.745 7.913 N53HD22-ND2 114.745 7.113 V54H-N 110.705 7.995 Y55H-N 117.023 7.791 A56H-N 122.693 7.403 D57H-N 121.188 8.721 I58H-N 127.139 8.566 R59H-N 121.634 8.407 D60H-N 119.374 7.385 I61H-N 119.301 7.122 Q62H-N 117.616 8.256 E63H-N 120.678 8.07 R64H-N 120.587 8.052 F65H-N 118.339 8.481 S66H-N 118.914 8.774 E67H-N 121.836 7.941 V68H-N 119.649 7.436 R69H-N 118.463 8.05 K70H-N 117.821 8.242 K71H-N 118.71 7.683 M72H-N 118.07 8.067 V73H-N 120.545 8.239 E74H-N 122.118 8.244 N75H-N 116.161 7.867 N75HD21-ND2 113.98 8.003 N75HD22-ND2 113.98 6.898 D76H-N 116.833 8.178 D77H-N 118.015 8.477 I78H-N 116.303 7.439 E79H-N 122.653 8.438 M80H-N 122.151 8.78 Q81H-N 118.345 8.764 Q81HE21-NE2 112.355 7.572 Q81HE22-NE2 112.355 6.872 A82H-N 122.072 7.875 L83H-N 118.191 7.737 G84H-N 105.187 7.999 N86H-N 121.268 7.866 N86HD21-ND2 115.682 7.999 N86HD22-ND2 115.682 7.124 T87H-N 113.77 8.207 T88H-N 119.061 7.788 I89H-N 122.795 8.782 H90H-N 123.143 8.747 A91H-N 125.616 9.119 Y92H-N 119.969 8.54 F93H-N 126.632 9.733 S98H-N 113.415 7.204 D99H-N 126.022 8.591 K100H-N 119.783 8.28 A101H-N 126.255 9.388 L102H-N 121.613 8.203 K103H-N 127.726 9.421 I104H-N 124.84 8.978 D105H-N 124.911 8.923 L106H-N 122.26 9.176 M107H-N 119.478 8.629 N110H-N 120.223 8.365 L112H-N 120.61 8.088 K113H-N 121.856 8.077 V114H-N 121.43 8.146 C115H-N 123.323 8.399 D116H-N 123.727 8.392 K117H-N 121.693 8.411 T118H-N 114.578 8.286 N119H-N 126.184 8.025 N119HD21-ND2 112.15 7.626 N119HD22-ND2 112.15 6.896 G120H-N 108.812 8.302 I121H-N 119.935 7.935 A122H-N 127.822 8.317 K123H-N 120.578 8.118 F124H-N 121.064 8.266 E126H-N 121.053 8.702 R127H-N 120.33 8.198 E128H-N 120.817 8.33 L129H-N 122.198 8.142 E130H-N 121.912 8.519 L131H-N 122.664 8.442 R132H-N 118.696 8.584 Q133H-N 124.625 8.756 T134H-N 120.249 8.74 A137H-N 124.865 8.581 V138H-N 119.855 8.304 E139H-N 126.364 8.694 V140H-N 120.969 9.09 D141H-N 123.152 8.835 V142H-N 123.451 8.536 K143H-N 119.39 8.844 D144H-N 118.525 7.942 I145H-N 125.206 7.383 A147H-N 125.177 8.327 Q148H-N 121.229 8.555 Q148HE21-NE2 112.662 7.698 Q148HE22-NE2 112.662 6.921 E149H-N 123.93 8.616 V150H-N 121.35 8.197 E151H-N 124.875 8.513 H152H-N 121.205 8.369 E153H-N 127.404 8.19