Assignment w1 w2 S3H-N 114.618 8.371 R4H-N 123.512 8.365 R5H-N 120.31 8.016 L6H-N 119.338 8.216 M7H-N 117.081 8.144 K8H-N 120.511 7.764 E9H-N 119.534 8.647 L10H-N 120.67 8.534 E11H-N 118.824 7.893 E12H-N 117.845 8.194 I13H-N 121.701 8.493 R14H-N 121.331 8.492 K15H-N 117.469 7.805 S16H-N 114.422 7.79 G17H-N 110.636 8.162 M18H-N 119.308 8.342 K19H-N 122.664 8.691 N20H-N 112.007 8.216 N20HD21-ND2 110.551 7.951 N20HD22-ND2 110.551 7.333 F21H-N 120.502 7.149 R22H-N 122.547 8.916 N23H-N 117.099 8.701 N23HD21-ND2 109.843 7.204 N23HD22-ND2 109.843 6.795 I24H-N 118.323 7.912 Q25H-N 130.074 9.224 Q25HE21-NE2 111.477 7.422 Q25HE22-NE2 111.477 6.718 V26H-N 122.164 8.313 D27H-N 126.72 8.821 E28H-N 125.789 8.781 A29H-N 120.306 8.456 N30H-N 114.793 7.955 N30HD21-ND2 111.823 7.738 N30HD22-ND2 111.823 6.87 L31H-N 120.635 8.584 L32H-N 112.484 7.636 T33H-N 113.808 7.426 W34H-N 127.734 9.655 Q35H-N 118.936 8.886 Q35HE21-NE2 111.003 7.838 Q35HE22-NE2 111.003 6.888 G36H-N 104.021 8.194 L37H-N 120.384 8.654 I38H-N 124.371 9.688 V39H-N 129.062 8.667 D41H-N 119.005 9.111 N42H-N 116.575 7.813 N42HD21-ND2 112.372 7.458 N42HD22-ND2 112.372 7.024 Y45H-N 121.617 8.054 D46H-N 116.118 8.142 K47H-N 115.668 8.034 G48H-N 107.269 7.752 A49H-N 118.459 7.689 F50H-N 115.37 8.811 R51H-N 126.71 10.035 I52H-N 117.987 8.943 E53H-N 121.591 8.994 I54H-N 125.859 9.404 N55H-N 123.91 8.724 N55HD21-ND2 113.877 7.748 N55HD22-ND2 113.877 7.433 F56H-N 126.89 9.637 A58H-N 123.52 8.856 E59H-N 111.571 8.716 Y60H-N 123.644 8.114 F62H-N 125.794 9.264 K63H-N 117.271 7.026 K66H-N 117.204 7.944 I67H-N 124.523 8.481 T68H-N 120.459 8.7 F69H-N 126.949 10.441 K70H-N 123.633 9.048 T71H-N 118.91 7.491 K72H-N 126.852 9.011 I73H-N 118.967 8.024 Y74H-N 132.054 8.454 H75H-N 128.749 8.66 N77H-N 118.84 11.381 N77HD21-ND2 108.725 7.673 N77HD22-ND2 108.725 7.001 I78H-N 120.491 7.277 D79H-N 125.329 8.656 E80H-N 116.101 9.157 K81H-N 118.568 8.141 G82H-N 109.582 8.155 Q83H-N 120.583 8.692 Q83HE21-NE2 112.466 8.065 Q83HE22-NE2 112.466 6.866 V84H-N 117.57 8.207 C85H-N 127.66 8.242 L86H-N 126.403 7.717 V88H-N 114.186 7.941 I89H-N 107.376 7.416 S90H-N 118.495 7.788 A91H-N 126.579 9.026 E92H-N 114.518 9.001 N93H-N 115.087 7.487 N93HD21-ND2 112.827 7.33 N93HD22-ND2 112.827 6.971 W94H-N 121.771 7.928 K95H-N 126.478 6.674 A97H-N 116.038 7.158 T98H-N 117.943 7.505 K99H-N 125.201 8.195 T100H-N 119.928 9.641 D101H-N 121.16 9.358 Q102H-N 121.035 7.484 Q102HE21-NE2 111.879 7.659 Q102HE22-NE2 111.879 6.848 V103H-N 122.039 7.733 I104H-N 118.549 8.472 Q105H-N 118.878 8.365 Q105HE21-NE2 111.646 7.4 Q105HE22-NE2 111.646 6.978 S106H-N 116.496 8.089 L107H-N 124.627 8.282 I108H-N 120.167 8.581 A109H-N 120.804 7.897 L110H-N 120.247 7.575 V111H-N 119.411 8.031 N112H-N 111.55 7.867 N112HD21-ND2 111.829 7.56 N112HD22-ND2 111.829 7.225 D113H-N 118.579 8.011 Q115H-N 118.866 8.491 Q115HE21-NE2 112.399 7.797 Q115HE22-NE2 112.399 6.7 E117H-N 118.025 8.958 H118H-N 115.239 7.174 L120H-N 116.588 8.344 R121H-N 118.818 7.702 D123H-N 117.388 9.273 L124H-N 123.209 7.547 A125H-N 121.691 8.02 E126H-N 119.314 7.892 E127H-N 121.214 7.788 Y128H-N 117.03 8.51 S129H-N 110.605 7.84 K130H-N 119.371 8.486 D131H-N 122.01 8.568 R132H-N 124.519 8.499 K133H-N 118.503 8.44 K134H-N 123.558 7.564 F135H-N 118.844 8.516 S136H-N 114.315 8.878 K137H-N 122.583 7.697 N138H-N 118.886 8.13 A139H-N 124.017 8.957 E140H-N 123.196 8.753 E141H-N 119.994 8.106 F142H-N 121.817 8.389 T143H-N 120.315 8.796 K144H-N 121.684 8.095 K145H-N 117.193 7.788 Y146H-N 112.818 7.92 G147H-N 108.254 8.209 E148H-N 117.566 8.151 K149H-N 120.43 8.307 R150H-N 123.961 8.485 V152H-N 119.018 8.243 D153H-N 128.62 7.966