Assignment w1 w2 M3H-N 121.891 8.648 D4H-N 120.959 8.398 S5H-N 115.417 8.182 M6H-N 121.92 8.374 D7H-N 120.884 8.295 L8H-N 121.929 8.104 L9H-N 120.928 8.109 G10H-N 108.864 8.261 I11H-N 118.865 7.679 D12H-N 125.43 8.163 K14H-N 117.696 8.352 H15H-N 113.232 7.964 V16H-N 122.669 7.059 C17H-N 124.897 9.023 I18H-N 119.812 10.069 N19H-N 123.383 9.606 N19HD21-ND2 113.21 6.952 N19HD22-ND2 113.21 7.683 T20H-N 118.827 8.32 R21H-N 126.253 8.62 D22H-N 118.202 8.226 I23H-N 121.404 7.68 A25H-N 121.424 7.86 N26H-N 112.694 8.632 N26HD21-ND2 115.358 6.777 N26HD22-ND2 115.358 6.974 A27H-N 115.461 7.062 G28H-N 105.035 8.744 C29H-N 121.826 8.575 F30H-N 134.996 9.146 R31H-N 127.452 7.2 R31HE-NE 85.964 7.214 Y32H-N 126.508 9.059 D33H-N 122.355 9.372 N34H-N 113.788 7.793 N34HD21-ND2 108.487 6.414 N34HD22-ND2 108.487 7.399 G35H-N 108.908 8.3 N36H-N 120.104 8.132 N36HD21-ND2 112.854 7.004 N36HD22-ND2 112.854 7.628 E37H-N 120.161 8.45 E38H-N 123.105 8.755 W39H-N 119.917 8.431 W39HE1-NE1 130.032 10.182 R40H-N 119.255 8.941 R40HH11-NH1 86.388 6.699 R40HH12-NH1 86.388 6.699 R40HH21-NH2 70.094 6.886 R40HH22-NH2 70.094 6.886 C41H-N 119.253 9.114 L42H-N 120.179 8.278 L43H-N 116.49 8.443 G44H-N 107.834 9.282 Y45H-N 119.693 8.593 K46H-N 119.331 9.914 K47H-N 125.25 8.778 N48H-N 125.472 9.133 N48HD21-ND2 113.172 7.062 N48HD22-ND2 113.172 7.441 T51H-N 109.777 7.811 C52H-N 119.766 8.919 I53H-N 119.484 9.268 E54H-N 123.655 9.058 D55H-N 124.658 8.32 S56H-N 118.234 8.475 N57H-N 118.601 8.404 N57HD21-ND2 111.998 6.735 N57HD22-ND2 111.998 7.498 T59H-N 113.035 8.844 C60H-N 120.892 8.542 G61H-N 105.33 8.168 N62H-N 118.182 7.354 N62HD21-ND2 112.74 6.842 N62HD22-ND2 112.74 7.619 N63H-N 124.664 9.436 N63HD21-ND2 112.459 6.996 N63HD22-ND2 112.459 7.838 N64H-N 119.297 8.993 N64HD21-ND2 111.647 6.467 N64HD22-ND2 111.647 7.114 G65H-N 106.556 7.626 G66H-N 104.97 8.033 C67H-N 119.312 7.826 D68H-N 123.771 8.705 T70H-N 107.726 9.049 A71H-N 125.238 8.182 G72H-N 107.762 9.175 C73H-N 123.66 8.38 Q74H-N 129.111 8.838 T75H-N 114.211 8.423 A76H-N 126.868 8.586 E77H-N 120.906 8.525 N78H-N 119.704 8.309 N78HD21-ND2 113.262 6.994 N78HD22-ND2 113.262 7.646 R79H-N 120.38 8.26 E80H-N 119.865 8.638 N81H-N 119.679 8.463 N81HD21-ND2 113.151 6.932 N81HD22-ND2 113.151 7.665 S82H-N 113.18 8.195 K83H-N 120.944 7.989 K84H-N 119.837 7.843 I85H-N 120.864 7.513 I86H-N 125.258 8.777 C87H-N 128.528 9.113 T88H-N 118.962 9.108 C89H-N 129.061 9.313 K90H-N 121.463 8.926 E91H-N 120.705 8.714 T93H-N 116.495 8.922 N95H-N 120.923 8.638 N95HD21-ND2 117.367 7.294 N95HD22-ND2 117.367 7.936 A96H-N 126.341 8.402 Y97H-N 120.843 8.796 Y98H-N 124.226 9.567 D99H-N 112.655 9.029 G100H-N 102.293 7.548 V101H-N 122.531 7.417 F102H-N 111.65 7.888 C103H-N 119.441 7.775 G104H-N 117.055 9.434