Assignment w1 w2 M1H-N 119.319 7.675 Q2H-N 123.135 8.202 Q2HE21-NE2 110.952 6.726 Q2HE22-NE2 110.952 7.554 A3H-N 128.1 8.594 I4H-N 122.001 8.387 K5H-N 131.036 10.484 C6H-N 130.888 9.321 V7H-N 128.782 7.503 V8H-N 125.609 8.18 V9H-N 116.586 8.658 G10H-N 106.764 6.766 D11H-N 117.193 8.136 G12H-N 102.739 8.478 G15H-N 107.656 8.333 T17H-N 118.569 9.128 C18H-N 119.075 9.424 L19H-N 121.124 7.933 L20H-N 116.51 7.293 I21H-N 121.158 8.771 S22H-N 118.94 8.86 Y23H-N 116.749 7.766 T24H-N 104.957 7.643 T25H-N 109.652 8.1 N26H-N 116.05 7.531 N26HD21-ND2 112.28 6.71 N26HD22-ND2 112.28 7.368 A27H-N 120.359 7.607 F28H-N 122.723 8.33 G30H-N 108.559 8.345 E31H-N 121.295 8.156 A42H-N 124.332 8.794 N43H-N 121.005 8.497 N43HD21-ND2 110.58 6.443 N43HD22-ND2 110.58 7.174 V44H-N 122.258 8.935 M45H-N 122.977 8.38 V46H-N 125.627 8.679 D47H-N 127.0 9.196 G48H-N 101.975 8.425 K49H-N 121.892 7.936 V51H-N 122.914 9.083 N52H-N 123.85 8.573 N52HD21-ND2 109.843 6.575 N52HD22-ND2 109.843 7.345 L53H-N 128.902 9.137 G54H-N 116.315 9.47 L55H-N 125.576 8.769 W56H-N 126.59 9.309 W56HE1-NE1 129.526 10.479 G60H-N 107.959 8.296 E62H-N 121.277 8.968 D63H-N 117.44 8.282 L70H-N 118.12 7.444 S71H-N 111.643 7.864 Y72H-N 119.588 7.105 Q74H-N 114.436 8.899 Q74HE21-NE2 111.688 6.757 Q74HE22-NE2 111.688 7.47 T75H-N 116.621 7.338 D76H-N 123.589 8.705 V77H-N 116.053 7.377 F78H-N 122.723 8.491 L79H-N 118.907 8.836 I80H-N 121.667 8.516 C81H-N 123.471 8.861 F82H-N 118.383 8.875 S83H-N 113.641 8.303 L84H-N 127.934 8.883 V85H-N 103.055 7.394 S86H-N 111.821 7.712 S89H-N 115.412 7.994 F90H-N 125.031 7.433 E91H-N 118.926 8.169 N92H-N 114.244 7.881 N92HD21-ND2 116.194 6.633 N92HD22-ND2 116.194 10.265 V93H-N 124.573 8.057 R94H-N 114.636 6.346 A95H-N 116.97 7.808 K96H-N 114.682 7.978 W97H-N 120.662 7.829 W97HE1-NE1 133.265 11.589 Y98H-N 117.171 9.008 E100H-N 117.66 7.498 V101H-N 116.441 8.308 R102H-N 116.059 7.93 H103H-N 117.596 7.664 H104H-N 113.428 6.89 C105H-N 117.65 8.756 N107H-N 111.951 8.649 N107HD21-ND2 113.543 6.929 N107HD22-ND2 113.543 7.586 T108H-N 119.596 6.983 I110H-N 118.905 8.561 I111H-N 126.51 8.983 L112H-N 108.107 8.297 V113H-N 127.84 9.225 G114H-N 113.462 8.775 T115H-N 116.219 9.204 K116H-N 107.992 9.061 L117H-N 115.673 8.277 D118H-N 112.055 8.461 L119H-N 116.513 7.83 R120H-N 118.415 7.142 D121H-N 111.59 7.303 D122H-N 121.554 7.155 K123H-N 129.024 8.773 D124H-N 117.87 8.432 T125H-N 118.375 7.992 I126H-N 121.688 8.465 E127H-N 119.95 8.35 K128H-N 120.431 7.995 L129H-N 119.569 8.149 K130H-N 120.982 8.314 E131H-N 120.199 7.73 K132H-N 116.441 7.239 K133H-N 113.916 8.05 L134H-N 117.672 7.909 T135H-N 112.601 7.773 I137H-N 122.52 8.69 T138H-N 116.215 7.832 Y139H-N 120.907 9.046 Q141H-N 116.948 7.171 Q141HE21-NE2 109.882 6.533 Q141HE22-NE2 109.882 7.398 G142H-N 110.309 8.078 L143H-N 120.736 7.803 A144H-N 119.898 7.514 M145H-N 120.534 7.701 A146H-N 120.537 8.121 K147H-N 116.734 7.765 E148H-N 121.159 7.826 I149H-N 108.473 7.487 G150H-N 108.347 7.328 A151H-N 122.087 8.528 V152H-N 118.474 9.032 K153H-N 113.786 7.05 Y154H-N 122.163 8.046 L155H-N 127.825 8.29 E156H-N 115.061 7.931 C157H-N 114.672 9.016 S158H-N 110.669 8.36 A159H-N 132.36 9.308 L160H-N 118.807 7.371 T161H-N 106.133 8.055 Q162H-N 112.791 7.335 Q162HE21-NE2 111.485 6.57 Q162HE22-NE2 111.485 7.198 R163H-N 123.74 7.849 G164H-N 114.837 9.061 L165H-N 121.07 7.468 K166H-N 116.783 8.529 T167H-N 113.431 7.713 V168H-N 119.101 7.049 F169H-N 114.407 6.251 D170H-N 120.029 8.148 E171H-N 115.752 8.254 A172H-N 123.857 7.926 I173H-N 114.127 7.587 R174H-N 119.832 8.423 A175H-N 118.163 7.776 V176H-N 114.779 7.196 L177H-N 117.115 8.106 C178H-N 117.58 8.174 V182H-N 120.299 8.116 K183H-N 124.848 8.302 K184H-N 122.453 8.229 R185H-N 127.408 7.944 K188H-N 127.232 7.894 L191H-N 123.324 8.194 L192H-N 128.298 7.619 A4H-N 124.374 8.414 T5H-N 112.098 8.048 N6H-N 120.649 8.433 N6HD21-ND2 112.418 6.913 N6HD22-ND2 112.418 7.635 L7H-N 121.57 8.058 S8H-N 116.058 8.257 V10H-N 118.515 8.032 A11H-N 121.16 8.003 G12H-N 105.436 8.226 L13H-N 124.009 7.867 E14H-N 118.527 8.658 K15H-N 120.272 7.835 Q16H-N 118.39 7.845 Q16HE21-NE2 111.324 6.719 Q16HE22-NE2 111.324 7.5 L17H-N 120.435 8.648 A18H-N 118.807 7.653 I19H-N 118.288 7.66 E20H-N 120.424 8.191 L21H-N 118.812 8.698 K22H-N 119.855 7.385 V23H-N 124.026 8.024 K24H-N 121.789 8.458 Q25H-N 117.202 7.866 Q25HE21-NE2 112.318 6.889 Q25HE22-NE2 112.318 7.409 G26H-N 107.342 8.268 A27H-N 125.659 8.542 E28H-N 117.442 8.495 N29H-N 118.754 8.254 N29HD21-ND2 111.366 6.874 N29HD22-ND2 111.366 7.568 M30H-N 121.069 8.135 I31H-N 119.968 8.335 Q32H-N 118.823 7.685 Q32HE21-NE2 113.188 6.74 Q32HE22-NE2 113.188 7.616 T33H-N 115.598 7.904 Y34H-N 118.152 8.101 S35H-N 114.117 7.842 N36H-N 118.195 7.641 N36HD21-ND2 113.651 7.031 N36HD22-ND2 113.651 7.624 G37H-N 107.355 8.154 D41H-N 121.13 8.008 K43H-N 118.693 8.109 L44H-N 120.509 7.662 L45H-N 120.072 7.708 L46H-N 118.24 7.806 T47H-N 115.95 7.845 A48H-N 125.29 8.199 Q49H-N 116.912 8.624 Q49HE21-NE2 109.092 6.606 Q49HE22-NE2 109.092 7.107 Q50H-N 120.716 8.01 Q50HE21-NE2 111.841 6.774 Q50HE22-NE2 111.841 7.417 M51H-N 119.51 8.239 L52H-N 120.451 8.384 Q53H-N 118.243 7.855 Q53HE21-NE2 112.113 6.873 Q53HE22-NE2 112.113 7.381 D54H-N 119.875 8.457 S55H-N 116.239 8.213 K56H-N 120.084 8.389 T57H-N 115.761 7.953 K58H-N 121.239 7.829 I59H-N 119.995 8.84 D60H-N 118.989 7.712 I61H-N 120.884 7.69 I62H-N 121.683 8.587 R63H-N 117.365 8.918 M64H-N 119.339 7.783 Q65H-N 120.131 8.285 Q65HE21-NE2 109.206 6.614 Q65HE22-NE2 109.206 6.971 L66H-N 122.556 9.02 R67H-N 118.192 7.92 R68H-N 117.014 7.676 A69H-N 121.941 8.035 L70H-N 117.452 8.002 Q71H-N 117.796 7.629 Q71HE21-NE2 111.388 6.748 Q71HE22-NE2 111.388 7.456 A72H-N 122.652 7.9 D73H-N 117.878 8.086 Q74H-N 118.807 7.987 L75H-N 121.514 8.037 E76H-N 119.952 8.248 N77H-N 118.369 8.301 N77HD21-ND2 112.635 6.845 N77HD22-ND2 112.635 7.553 Q78H-N 120.073 8.221 Q78HE21-NE2 112.091 6.761 Q78HE22-NE2 112.091 7.47 A79H-N 124.799 8.172 A80H-N 125.025 8.122