Assignment w1 w2 D2H-N 123.927 8.349 N3H-N 118.91 8.33 N3HD21-ND2 112.188 6.806 N3HD22-ND2 112.188 7.486 L4H-N 121.713 7.931 T5H-N 115.249 8.721 E7H-N 116.728 8.754 E8H-N 121.156 7.766 R9H-N 120.439 8.32 D10H-N 122.984 8.628 A11H-N 119.806 7.586 R12H-N 113.482 7.212 T13H-N 117.168 7.694 V14H-N 117.212 9.154 F15H-N 122.937 9.376 C16H-N 122.495 8.918 M17H-N 118.08 8.794 Q18H-N 115.093 8.423 Q18HE21-NE2 112.161 6.956 L19H-N 116.24 7.614 A20H-N 125.635 9.32 A21H-N 124.357 8.503 R22H-N 111.783 7.811 I23H-N 121.628 7.258 R24H-N 125.852 8.975 R26H-N 114.216 8.282 D27H-N 117.067 7.671 L28H-N 118.055 7.179 E29H-N 121.346 8.579 E30H-N 118.34 8.381 F31H-N 120.157 7.771 F32H-N 113.112 8.468 S33H-N 116.067 7.996 T34H-N 111.196 7.189 V35H-N 111.843 7.663 G36H-N 109.417 7.633 K37H-N 118.247 8.219 V38H-N 128.609 9.032 R39H-N 129.282 9.542 D40H-N 116.32 7.726 V41H-N 122.465 7.924 R42H-N 126.764 9.137 M43H-N 123.213 8.86 I44H-N 124.265 8.305 S45H-N 121.288 8.548 D46H-N 123.124 8.531 R47H-N 122.875 8.582 N48H-N 117.335 8.479 N48HD21-ND2 113.453 7.743 N48HD22-ND2 113.453 6.93 S49H-N 114.906 8.116 R51H-N 120.412 8.217 K53H-N 122.222 8.331 G54H-N 109.337 8.54 I55H-N 114.403 7.594 A56H-N 121.868 8.29 Y57H-N 118.515 8.932 V58H-N 123.154 8.82 E59H-N 128.7 8.741 F60H-N 126.731 9.298 V61H-N 118.069 8.145 D62H-N 118.507 8.65 V63H-N 122.132 8.524 S64H-N 115.649 8.493 S65H-N 116.084 7.441 V66H-N 119.985 7.584 L68H-N 115.395 6.292 A69H-N 122.663 8.306 I70H-N 118.562 8.235 G71H-N 106.55 7.606 L72H-N 120.508 7.761 T73H-N 115.361 7.714 G74H-N 117.627 9.515 Q75H-N 120.135 8.308 Q75HE21-NE2 112.874 6.808 Q75HE22-NE2 112.874 7.695 R76H-N 118.928 8.466 V77H-N 123.983 8.01 L78H-N 129.226 9.483 G79H-N 100.285 8.244 V80H-N 122.807 7.608 I82H-N 125.811 8.346 I83H-N 125.213 7.831 V84H-N 128.211 8.346 Q85H-N 123.176 9.202 Q85HE21-NE2 110.097 6.75 Q85HE22-NE2 110.097 7.348 A86H-N 123.36 8.848 S87H-N 115.694 8.377 Q88H-N 121.735 8.426 Q88HE21-NE2 112.057 7.481 Q88HE22-NE2 112.057 6.837 A89H-N 124.146 8.083 E90H-N 119.542 8.656 K91H-N 121.56 8.286 N92H-N 118.128 8.276 N92HD21-ND2 112.303 7.554 N92HD22-ND2 112.303 6.889 R93H-N 121.594 8.05 A94H-N 123.126 8.159 A95H-N 121.8 8.0 A96H-N 121.557 7.942 M97H-N 117.987 8.017 A98H-N 123.503 8.009 L101H-N 121.579 8.078 K103H-N 122.352 8.255 G104H-N 110.131 8.413 S105H-N 115.711 8.234 A106H-N 126.38 8.454 G107H-N 108.586 8.295 M109H-N 118.801 8.275 R110H-N 128.725 8.855 L111H-N 123.417 9.412 Y112H-N 122.884 8.983 V113H-N 125.187 8.031 G114H-N 110.775 9.158 S115H-N 112.832 8.693 L116H-N 117.386 8.209 H117H-N 122.048 9.053 F118H-N 123.439 7.512 N119H-N 119.534 7.343 N119HD21-ND2 109.919 7.409 N119HD22-ND2 109.919 6.644 I120H-N 118.309 9.178 T121H-N 117.718 7.464 E122H-N 120.634 9.444 D123H-N 116.761 8.348 M124H-N 120.193 7.666 L125H-N 118.141 7.775 R126H-N 120.856 8.742 G127H-N 102.14 7.613 I128H-N 116.948 7.28 F129H-N 121.397 8.915 F132H-N 111.914 8.026 G133H-N 106.806 7.937 R134H-N 116.02 7.915 I135H-N 128.565 8.842 E136H-N 127.511 8.907 S137H-N 109.645 7.248 I138H-N 122.515 8.4 Q139H-N 126.102 8.737 Q139HE21-NE2 111.156 7.462 Q139HE22-NE2 111.156 6.763 L140H-N 127.495 9.099 M141H-N 123.437 8.354 M142H-N 121.466 8.435 D143H-N 123.008 8.925 E145H-N 120.599 8.57 T146H-N 106.576 7.902 G147H-N 110.951 8.287 R148H-N 118.423 7.618 S149H-N 116.604 8.683 K150H-N 123.021 9.006 G151H-N 107.363 9.322 Y152H-N 111.522 7.102 G153H-N 106.428 8.892 F154H-N 114.91 8.583 I155H-N 123.067 9.071 T156H-N 123.026 8.804 F157H-N 128.418 9.041 S158H-N 115.536 8.223 D159H-N 118.804 8.796 S160H-N 122.785 8.922 E161H-N 122.87 8.788 C162H-N 119.438 7.641 A163H-N 120.273 7.086 K164H-N 116.166 7.923 K165H-N 119.276 7.25 A166H-N 121.302 7.508 L167H-N 118.209 8.041 E168H-N 116.403 7.614 Q169H-N 114.397 7.784 Q169HE21-NE2 112.238 6.897 Q169HE22-NE2 112.238 7.674 L170H-N 115.843 8.396 N171H-N 116.912 7.366 N171HD21-ND2 113.559 7.745 N171HD22-ND2 113.559 6.93 G172H-N 118.61 9.08 F173H-N 123.793 8.191 E174H-N 127.837 7.902 L175H-N 128.049 8.002 A176H-N 131.037 9.34 G177H-N 101.947 8.339 R178H-N 120.25 7.638 M180H-N 126.791 8.974 K181H-N 124.762 8.102 V182H-N 124.516 8.503 G183H-N 111.485 9.009 H184H-N 118.852 8.624 V185H-N 120.687 8.605 T186H-N 117.1 8.209 E187H-N 122.603 8.382 R188H-N 120.693 8.229 T189H-N 114.854 8.114 D190H-N 122.075 8.298 A191H-N 123.266 8.008