Assignment w1 w2 M3H-N 121.997 8.518 E4H-N 122.501 8.917 L5H-N 122.659 8.619 I6H-N 110.873 7.363 N7H-N 126.306 9.125 K8H-N 124.344 8.848 N9H-N 119.125 8.356 K10H-N 121.082 7.611 I11H-N 119.831 7.464 A12H-N 122.192 7.798 H13H-N 117.495 7.822 L14H-N 122.189 8.085 A15H-N 119.471 8.333 Q16H-N 115.757 7.568 E17H-N 118.724 7.748 I18H-N 109.532 8.259 G19H-N 114.062 7.762 E20H-N 126.385 8.981 E21H-N 117.721 9.803 N22H-N 115.52 7.798 N22HD21-ND2 114.527 6.961 N22HD22-ND2 114.527 7.828 V23H-N 121.173 7.447 I25H-N 115.945 6.695 L26H-N 119.735 7.585 L27H-N 120.679 8.89 D28H-N 118.738 7.833 I29H-N 120.274 7.314 F30H-N 122.685 7.723 L31H-N 117.564 8.879 S32H-N 116.072 7.999 E33H-N 126.343 7.958 L34H-N 114.905 7.994 S35H-N 113.868 8.162 A36H-N 122.641 9.21 Y37H-N 117.718 8.346 T38H-N 113.367 8.254 Q39H-N 119.522 7.656 K40H-N 119.641 7.694 L41H-N 114.782 8.392 A42H-N 119.616 7.684 D43H-N 118.999 7.305 Q44H-N 128.941 9.178 N45H-N 116.484 8.725 L46H-N 124.795 7.114 D48H-N 117.549 8.384 K49H-N 119.844 8.528 I50H-N 117.207 8.409 E51H-N 120.6 7.658 Y52H-N 120.626 7.981 L53H-N 118.232 8.528 K54H-N 120.753 8.315 D55H-N 123.487 8.253 I56H-N 115.62 8.593 S57H-N 119.875 7.899 H58H-N 120.394 7.825 A59H-N 120.732 7.316 L60H-N 119.786 9.023 K61H-N 116.865 7.917 S62H-N 110.381 7.157 S63H-N 119.686 8.507 A64H-N 125.537 7.706 A65H-N 120.604 8.369 S66H-N 114.597 7.686 F67H-N 112.446 6.927 G68H-N 107.711 7.577 A69H-N 126.816 8.371 D70H-N 122.555 7.448 K71H-N 122.575 8.071 L72H-N 121.501 8.724 C73H-N 118.917 9.054 A74H-N 118.27 8.105 K75H-N 120.359 7.564 A76H-N 122.468 8.361 V77H-N 118.055 8.823 D78H-N 121.787 7.839 I79H-N 119.112 8.416 D80H-N 119.513 8.679 S81H-N 114.12 8.592 K82H-N 124.106 8.531 G83H-N 107.785 9.071 K84H-N 121.824 7.742 A85H-N 120.32 7.45 N86H-N 115.23 7.922 C87H-N 115.624 7.928 I88H-N 122.714 8.129 F89H-N 125.568 8.335 D90H-N 122.501 8.975 E91H-N 125.095 8.58 A92H-N 119.642 8.424 E93H-N 118.891 8.043 E94H-N 118.641 8.327 V95H-N 119.241 8.506 A96H-N 120.12 7.605 A97H-N 118.686 6.553 M98H-N 118.36 8.464 R99H-N 119.444 8.813 A100H-N 118.934 7.918 L101H-N 119.183 7.732 I102H-N 124.314 8.992 E103H-N 120.104 8.464 E104H-N 119.503 8.533 T105H-N 121.932 8.61 H106H-N 122.693 9.156 R107H-N 117.712 8.258 C108H-N 116.462 7.791 Y109H-N 119.305 8.431 C110H-N 117.33 8.168 H111H-N 116.148 7.525 L112H-N 121.071 7.512 M113H-N 115.485 8.099 D114H-N 126.077 7.479