Assignment w1 w2 F3H-N 121.556 8.448 L4H-N 123.481 8.288 D5H-N 122.164 8.358 S6H-N 114.264 8.15 K7H-N 121.799 8.236 T8H-N 113.623 7.503 F9H-N 115.468 8.527 L10H-N 127.87 9.682 S11H-N 113.14 9.05 R12H-N 118.614 8.674 F13H-N 120.079 9.239 S14H-N 115.032 9.139 M15H-N 115.83 8.854 D16H-N 115.106 8.176 M17H-N 114.616 8.388 K18H-N 116.256 7.439 F19H-N 120.27 8.773 T20H-N 113.376 9.519 Y21H-N 122.529 7.784 C22H-N 125.802 7.497 D23H-N 126.406 8.061 D24H-N 119.549 8.444 R25H-N 120.368 8.661 I26H-N 115.772 7.476 T27H-N 121.577 7.555 E28H-N 120.424 7.829 L29H-N 115.549 7.137 I30H-N 110.936 8.187 G31H-N 108.738 7.674 Y32H-N 115.576 5.876 H33H-N 123.842 9.797 E35H-N 114.779 9.812 E36H-N 117.416 7.937 L37H-N 117.23 7.127 L38H-N 115.636 6.712 G39H-N 110.478 9.087 R40H-N 119.842 8.396 R40HE-NE 84.149 7.568 S41H-N 117.292 8.943 A42H-N 128.687 8.507 S43H-N 107.876 7.507 E44H-N 121.479 7.285 F45H-N 114.198 7.544 W46H-N 120.084 6.905 W46HE1-NE1 128.475 10.052 H47H-N 124.239 8.599 A48H-N 131.369 8.593 L49H-N 119.826 11.409 D50H-N 117.027 8.092 S51H-N 115.543 7.539 E52H-N 123.94 9.007 N53H-N 119.145 8.521 N53HD21-ND2 113.059 7.995 N53HD22-ND2 113.059 6.966 M54H-N 119.817 7.957 T55H-N 119.838 8.328 K56H-N 122.13 7.854 S57H-N 116.371 8.116 H58H-N 120.597 7.909 Q59H-N 118.485 7.891 Q59HE21-NE2 111.564 7.411 Q59HE22-NE2 111.564 6.815 L61H-N 122.153 8.112 C62H-N 113.844 7.896 T63H-N 111.933 7.673 K64H-N 119.981 8.285 G65H-N 108.937 8.471 Q66H-N 117.452 7.325 Q66HE21-NE2 111.564 7.528 Q66HE22-NE2 111.564 6.8 V67H-N 120.633 8.637 V68H-N 124.278 8.41 S69H-N 121.79 8.961 G70H-N 107.831 7.971 Q71H-N 119.981 8.623 Q71HE21-NE2 110.666 7.267 Q71HE22-NE2 110.666 6.507 Y72H-N 122.325 9.551 R73H-N 119.414 8.558 R73HE-NE 85.534 7.464 M74H-N 123.729 9.058 L75H-N 128.297 9.392 A76H-N 131.203 8.839 K77H-N 120.984 6.698 H78H-N 113.066 7.861 G79H-N 108.178 7.246 G80H-N 107.271 8.047 Y81H-N 115.27 8.399 V82H-N 116.852 8.89 W83H-N 125.158 8.523 W83HE1-NE1 129.288 10.224 L84H-N 123.559 9.527 E85H-N 115.777 8.425 T86H-N 121.675 9.218 Q87H-N 128.085 9.202 M88H-N 125.214 9.283 T89H-N 116.726 8.863 V90H-N 126.928 8.585 I91H-N 127.744 8.722 Y92H-N 126.27 8.895 N93H-N 123.043 8.895 N93HD21-ND2 113.87 7.64 N93HD22-ND2 113.87 7.088 R95H-N 115.943 8.24 N96H-N 112.971 7.22 N96HD21-ND2 109.32 7.38 N96HD22-ND2 109.32 6.655 L97H-N 116.369 8.385 Q98H-N 117.908 8.144 Q98HE21-NE2 112.561 7.445 Q98HE22-NE2 112.561 6.902 Q100H-N 122.953 9.546 Q100HE21-NE2 111.992 7.203 Q100HE22-NE2 111.992 6.972 C101H-N 112.232 7.886 I102H-N 119.466 9.004 M103H-N 126.405 9.18 A104H-N 128.643 9.214 V105H-N 122.515 8.709 N106H-N 124.353 7.884 N106HD21-ND2 118.065 6.709 N106HD22-ND2 118.065 6.349 Y107H-N 122.714 9.398 V108H-N 123.56 8.758 L109H-N 127.567 9.078 S110H-N 114.354 7.898 E111H-N 117.817 8.352 I112H-N 121.264 8.352 E113H-N 129.683 8.9 K114H-N 126.75 7.925