Assignment w1 w2 S6H-N 116.964 8.334 G7H-N 108.669 8.239 T9H-N 110.551 8.383 S10H-N 114.51 7.595 A11H-N 122.813 8.876 K13H-N 122.614 7.61 D14H-N 115.671 8.597 L15H-N 122.101 8.372 T16H-N 123.745 9.415 V17H-N 125.061 8.251 I18H-N 120.08 8.074 T19H-N 117.091 8.212 R20H-N 126.424 8.487 E21H-N 128.175 8.741 G22H-N 112.715 8.767 K23H-N 120.601 7.694 R25H-N 114.931 8.153 A26H-N 120.437 7.992 V27H-N 113.138 8.508 I28H-N 121.507 8.768 V29H-N 131.009 9.152 S30H-N 120.728 9.293 W31H-N 117.418 7.414 W31HE1-NE1 124.212 6.066 Q32H-N 115.657 8.967 Q32HE21-NE2 113.582 6.751 Q32HE22-NE2 113.582 7.508 L35H-N 121.544 8.601 E36H-N 118.36 7.768 A37H-N 123.194 7.278 N38H-N 108.456 8.444 N38HD21-ND2 115.51 7.488 N38HD22-ND2 115.51 6.954 G39H-N 105.578 7.605 K40H-N 120.52 8.216 I41H-N 126.378 8.639 T42H-N 119.34 8.991 A43H-N 124.022 7.508 Y44H-N 117.033 9.15 I45H-N 122.299 8.831 L46H-N 129.009 8.705 F47H-N 123.673 9.319 Y48H-N 118.154 9.638 T49H-N 110.588 8.006 L50H-N 121.468 7.83 D51H-N 121.701 8.14 K52H-N 122.22 7.637 N53H-N 117.473 8.401 N53HD21-ND2 115.671 6.927 N53HD22-ND2 115.671 7.894 I54H-N 117.731 7.037 I56H-N 122.757 8.164 D57H-N 117.671 7.766 D58H-N 116.294 8.439 W59H-N 123.905 8.014 W59HE1-NE1 128.65 9.603 I60H-N 124.253 8.834 M61H-N 126.138 8.045 E62H-N 126.668 9.243 T63H-N 119.454 8.503 I64H-N 130.701 9.555 S65H-N 120.923 8.611 G66H-N 108.698 7.478 D67H-N 116.599 8.266 R68H-N 122.182 8.086 L69H-N 116.118 7.52 T70H-N 107.197 6.606 H71H-N 121.695 9.101 Q72H-N 125.013 7.271 Q72HE21-NE2 110.207 6.683 Q72HE22-NE2 110.207 7.144 I73H-N 123.913 8.197 M74H-N 123.229 8.633 D75H-N 115.597 8.094 L76H-N 120.091 8.836 N77H-N 118.665 8.579 N77HD21-ND2 111.733 7.241 N77HD22-ND2 111.733 7.09 L78H-N 121.15 8.485 D79H-N 125.824 8.021 T80H-N 114.027 8.298 M81H-N 125.433 8.451 Y82H-N 125.289 9.096 Y83H-N 116.637 8.42 F84H-N 117.094 9.165 R85H-N 117.282 9.785 R85HE-NE 81.854 7.035 I86H-N 118.755 8.555 Q87H-N 124.54 8.906 Q87HE21-NE2 109.453 6.605 Q87HE22-NE2 109.453 7.444 A88H-N 123.633 8.819 R89H-N 119.444 8.625 N90H-N 121.924 8.749 N90HD21-ND2 110.449 6.983 N90HD22-ND2 110.449 7.327 K92H-N 119.422 8.285 G93H-N 106.556 7.749 V94H-N 115.798 8.387 G95H-N 112.309 8.637 L97H-N 120.428 8.401 S98H-N 117.183 9.098 D99H-N 123.538 8.981 I101H-N 121.595 9.195 L102H-N 127.445 8.472 F103H-N 126.028 9.341 R104H-N 129.661 7.646 T105H-N 116.333 8.608 L106H-N 119.249 8.467 K107H-N 118.132 7.926 V108H-N 119.774 7.993 S109H-N 119.611 8.436 G110H-N 110.962 8.247 S112H-N 116.42 8.537 S113H-N 117.819 8.336 G114H-N 116.855 8.05