Assignment w1 w2 N3H-N 121.112 8.333 N3HD21-ND2 107.999 6.276 N3HD22-ND2 107.999 7.336 E4H-N 124.377 8.755 R5H-N 119.034 8.263 R5HE-NE 85.257 7.491 Y6H-N 123.19 7.898 E7H-N 118.143 8.08 K8H-N 120.518 8.025 F9H-N 121.854 7.862 L10H-N 118.747 8.423 R11H-N 120.221 8.115 R11HE-NE 84.338 7.582 Q12H-N 112.354 7.914 Q12HE21-NE2 112.116 6.965 Q12HE22-NE2 112.116 7.389 H13H-N 106.12 7.976 Y14H-N 121.112 8.399 D15H-N 126.456 7.955 A16H-N 128.237 7.988 K17H-N 116.362 8.037 K19H-N 121.409 7.901 G20H-N 111.018 7.945 R21H-N 113.393 7.321 R21HE-NE 83.874 7.004 D22H-N 116.51 7.602 D23H-N 121.409 8.119 R24H-N 117.846 7.624 R24HE-NE 84.988 7.449 C26H-N 116.362 8.03 E27H-N 119.034 8.435 S28H-N 113.393 8.035 M29H-N 121.706 8.574 M30H-N 116.065 8.293 K31H-N 117.252 6.903 E32H-N 122.893 8.513 R33H-N 113.393 8.084 K34H-N 113.393 7.679 L35H-N 119.034 8.308 T36H-N 102.409 7.18 S37H-N 114.581 7.474 C39H-N 114.284 7.881 K40H-N 128.831 7.873 D41H-N 126.752 8.656 V42H-N 116.659 7.689 N43H-N 122.893 8.555 N43HD21-ND2 111.566 6.829 N43HD22-ND2 111.566 7.389 T44H-N 128.985 10.358 F45H-N 125.862 9.16 I46H-N 122.002 8.79 H47H-N 125.268 8.276 G48H-N 108.346 8.029 T49H-N 112.503 8.589 K50H-N 124.081 8.847 K51H-N 119.034 8.442 N52H-N 117.549 7.558 I53H-N 119.924 7.726 R54H-N 117.549 7.967 A55H-N 118.143 7.549 I56H-N 122.299 7.603 C57H-N 113.987 7.417 G58H-N 110.128 7.323 K59H-N 124.336 8.659 K60H-N 115.174 7.608 G61H-N 109.534 7.51 S62H-N 112.799 8.698 Y64H-N 126.159 8.144 G65H-N 112.503 7.809 E66H-N 121.112 8.424 N67H-N 114.284 8.111 N67HD21-ND2 111.512 6.659 N67HD22-ND2 111.512 6.464 F68H-N 117.846 7.73 R69H-N 121.409 9.42 R69HE-NE 85.027 7.618 I70H-N 120.518 9.046 S71H-N 121.706 8.925 N72H-N 116.956 8.104 N72HD21-ND2 112.245 6.734 N72HD22-ND2 112.245 7.284 S73H-N 113.591 8.02 F75H-N 119.924 8.464 Q76H-N 120.221 9.1 Q76HE21-NE2 111.728 7.51 Q76HE22-NE2 111.728 6.698 I77H-N 115.768 8.585 T78H-N 122.002 9.203 T79H-N 125.862 9.25 C80H-N 127.346 8.911 T81H-N 119.034 9.402 H82H-N 128.534 9.566 S83H-N 123.19 7.878 R84H-N 120.815 7.407 R84HE-NE 83.622 7.398 G85H-N 108.94 8.127 S86H-N 116.362 7.842 W88H-N 117.549 7.253 W88HE1-NE1 128.81 10.125 C91H-N 123.932 9.442 G92H-N 112.799 8.86 Y93H-N 119.034 8.635 R94H-N 118.737 8.754 R94HE-NE 83.608 7.252 A95H-N 125.268 8.642 F96H-N 122.002 9.066 K97H-N 128.534 8.589 D98H-N 120.518 8.629 F99H-N 123.784 9.302 R100H-N 120.221 8.363 Y101H-N 120.518 7.627 I102H-N 111.612 8.102 V103H-N 121.706 7.787 I104H-N 118.143 8.532 A105H-N 119.924 8.449 C106H-N 119.627 8.949 E107H-N 122.596 9.081 D108H-N 127.049 9.272 G109H-N 101.221 8.426 W110H-N 120.221 7.845 W110HE1-NE1 129.28 9.964 V112H-N 108.346 8.444 H113H-N 118.737 7.494 D115H-N 125.862 7.43 E116H-N 126.456 8.341 S117H-N 114.878 8.174 F118H-N 121.706 7.097 I119H-N 118.44 7.129 S120H-N 117.549 7.442