Assignment w1 w2 A2H-N 124.085 8.498 M3H-N 119.63 8.441 E4H-N 122.376 8.336 Q5H-N 122.01 8.347 Q5HE21-NE2 112.257 6.779 Q5HE22-NE2 112.257 7.456 K6H-N 123.09 8.327 T7H-N 116.8 8.16 V8H-N 124.108 8.192 I9H-N 127.371 8.275 G11H-N 109.54 8.376 M12H-N 120.834 7.986 T14H-N 115.642 8.189 V15H-N 123.7 8.036 I16H-N 127.78 8.236 G19H-N 107.305 8.321 L20H-N 120.897 8.043 T21H-N 113.195 8.427 R22H-N 121.322 8.832 E23H-N 119.109 8.754 Q24H-N 119.556 7.711 Q24HE21-NE2 110.75 6.735 Q24HE22-NE2 110.75 7.456 E25H-N 122.227 8.73 R26H-N 119.109 7.906 A27H-N 119.411 7.956 Y28H-N 119.16 7.854 I29H-N 119.173 7.809 V30H-N 121.549 8.572 Q31H-N 119.997 8.183 Q31HE21-NE2 110.834 6.819 Q31HE22-NE2 110.834 7.408 L32H-N 119.605 7.586 Q33H-N 120.332 8.046 Q33HE21-NE2 108.422 6.58 Q33HE22-NE2 108.422 6.912 I34H-N 120.945 8.778 E35H-N 122.689 8.305 D36H-N 121.505 8.142 L37H-N 118.666 8.425 T38H-N 115.786 8.34 R39H-N 122.111 8.024 K40H-N 120.824 8.13 L41H-N 118.497 8.108 R42H-N 119.0 8.102 T43H-N 109.849 7.956 G44H-N 110.673 8.016 D45H-N 121.49 8.048 L46H-N 120.838 7.988 G47H-N 108.059 8.341 I48H-N 121.037 7.793 N51H-N 119.55 8.422 N51HD21-ND2 113.203 6.936 N51HD22-ND2 113.203 7.653 E53H-N 118.523 8.426 D54H-N 120.581 7.941 R55H-N 121.043 8.066 S56H-N 118.338 8.281 S58H-N 117.341 8.28 E60H-N 122.213 8.23 I62H-N 120.281 7.98 Y63H-N 123.089 8.194 N64H-N 120.117 8.386 N64HD21-ND2 111.942 6.904 N64HD22-ND2 111.942 7.626 S65H-N 115.826 8.371 E66H-N 121.062 8.018 G67H-N 108.499 8.199 K68H-N 120.638 7.956 R69H-N 122.999 8.403 L70H-N 124.1 8.283 N71H-N 119.593 8.46 N71HD21-ND2 112.535 6.882 N71HD22-ND2 112.535 6.882 T72H-N 114.1 8.031 R73H-N 122.587 8.502 R73HE-NE 84.769 7.665 E74H-N 121.548 8.517 F75H-N 121.388 8.176 R76H-N 120.211 8.377 T77H-N 115.416 7.992 R78H-N 122.212 8.369 K79H-N 117.591 7.941 K80H-N 119.769 7.615 L81H-N 120.5 8.057 E82H-N 118.803 8.652 E83H-N 122.396 8.281 E84H-N 120.976 8.321 R85H-N 118.559 8.594 R85HE-NE 81.474 7.775 H86H-N 119.632 8.465 N87H-N 119.587 8.323 N87HD21-ND2 112.6 7.057 N87HD22-ND2 112.6 7.622 L88H-N 122.32 7.966 I89H-N 121.495 8.472 T90H-N 115.066 8.075 E91H-N 123.259 7.368 M92H-N 119.844 8.373 V93H-N 117.572 8.279 A94H-N 120.56 7.074 L95H-N 117.987 7.525 N96H-N 115.338 8.467 N96HD21-ND2 110.107 7.073 N96HD22-ND2 110.107 7.36 D98H-N 115.744 7.6 F99H-N 122.722 7.94 K100H-N 129.4 7.602 A103H-N 123.83 8.63 D104H-N 112.924 8.335 Y105H-N 121.114 7.6 K106H-N 129.875 7.695 A109H-N 124.17 8.311 T110H-N 113.807 8.019 R111H-N 124.165 8.3 V112H-N 122.157 8.233 S113H-N 118.837 8.264 D114H-N 122.871 8.249 K115H-N 120.944 8.084 V116H-N 121.67 8.025 M117H-N 124.839 8.364 I118H-N 124.515 8.093 Q120H-N 121.557 8.392 Q120HE21-NE2 112.914 6.776 Q120HE22-NE2 112.914 7.546 D121H-N 127.515 7.918