Assignment w1 w2 A3H-N 125.416 8.416 L4H-N 122.419 8.219 I5H-N 123.173 8.169 L6H-N 127.147 8.314 E7H-N 123.33 8.244 S9H-N 115.074 8.374 L10H-N 123.244 8.097 Y11H-N 121.389 8.09 K14H-N 123.95 9.516 A15H-N 120.647 8.158 I16H-N 120.237 8.531 L17H-N 124.035 9.046 I18H-N 120.171 9.364 L19H-N 127.982 9.538 D20H-N 119.294 8.496 N21H-N 112.819 8.037 N21HD21-ND2 111.904 7.069 N21HD22-ND2 111.904 7.714 D22H-N 117.867 8.172 G23H-N 112.706 7.823 D24H-N 120.955 8.031 R25H-N 120.65 8.162 R25HE-NE 109.815 8.576 L26H-N 127.627 8.977 F27H-N 118.415 8.216 A28H-N 128.559 7.791 K29H-N 123.736 8.381 Y30H-N 124.077 8.462 Y31H-N 119.28 8.492 D32H-N 118.646 8.021 D33H-N 117.078 8.134 T34H-N 117.473 7.882 Y35H-N 118.974 8.878 S37H-N 113.114 7.567 V38H-N 122.231 8.745 K39H-N 119.767 8.076 E40H-N 118.11 7.766 Q41H-N 120.72 8.089 Q41HE21-NE2 106.427 6.622 Q41HE22-NE2 106.427 6.519 K42H-N 117.218 8.747 A43H-N 121.218 7.371 F44H-N 122.158 7.569 E45H-N 119.621 8.801 K46H-N 117.993 7.865 N47H-N 118.495 7.571 N47HD21-ND2 112.474 6.931 N47HD22-ND2 112.474 7.564 I48H-N 117.695 8.33 F49H-N 124.748 8.407 N50H-N 118.428 8.452 N50HD21-ND2 111.79 7.676 N50HD22-ND2 111.79 6.914 K51H-N 115.884 7.493 T52H-N 106.851 7.236 H53H-N 122.135 7.979 R54H-N 118.982 8.121 T55H-N 111.858 7.843 D56H-N 122.356 8.69 S57H-N 113.745 7.499 E58H-N 118.992 8.253 I59H-N 118.12 7.731 A60H-N 130.098 9.645 L61H-N 123.387 8.389 L62H-N 125.222 8.485 E63H-N 119.508 9.037 G64H-N 106.028 8.576 L65H-N 121.562 8.131 T66H-N 118.315 8.401 V67H-N 127.913 9.18 V68H-N 122.445 8.958 Y69H-N 121.084 8.48 K70H-N 117.897 8.407 S71H-N 117.293 8.545 S72H-N 116.445 8.689 I73H-N 122.44 8.958 D74H-N 125.014 8.531 L75H-N 115.181 7.598 Y76H-N 120.341 9.233 F77H-N 121.893 9.009 Y78H-N 116.408 9.453 V79H-N 121.581 9.224 I80H-N 126.018 8.709 G81H-N 115.185 9.604 S82H-N 114.817 9.212 S83H-N 117.207 8.45 Y84H-N 119.95 7.868 E85H-N 120.521 7.705 N86H-N 119.591 8.92 N86HD21-ND2 112.438 7.038 N86HD22-ND2 112.438 7.8 E87H-N 126.176 9.368 L88H-N 118.992 8.253 M89H-N 119.597 7.703 L90H-N 117.825 7.438 M91H-N 117.936 8.447 A92H-N 121.903 7.862 V93H-N 120.087 7.702 L94H-N 120.993 7.982 N95H-N 115.548 8.87 C96H-N 120.668 8.349 L97H-N 122.234 8.755 F98H-N 119.065 8.713 D99H-N 119.993 9.093 S100H-N 117.91 8.449 L101H-N 121.508 7.883 S102H-N 114.291 8.3 Q103H-N 119.258 7.781 Q103HE21-NE2 109.772 7.308 Q103HE22-NE2 109.772 6.509 M104H-N 118.885 8.206 L105H-N 116.958 8.379 R106H-N 113.903 7.794 K107H-N 111.928 7.901 N108H-N 117.486 7.963 N108HD21-ND2 112.6 7.126 N108HD22-ND2 112.6 7.627 V109H-N 121.566 8.321 E110H-N 121.393 6.946 K111H-N 127.979 11.374 R112H-N 116.659 9.663 A113H-N 118.243 6.809 L114H-N 119.907 8.184 L115H-N 115.815 8.276 E116H-N 116.051 7.152 N117H-N 119.826 7.91 N117HD21-ND2 114.432 7.188 N117HD22-ND2 114.432 7.641 M118H-N 120.15 7.956 E119H-N 117.711 8.632 G120H-N 105.908 7.737 L121H-N 121.887 7.423 F122H-N 116.55 8.096 L123H-N 116.552 7.836 A124H-N 121.179 8.363 V125H-N 115.746 8.033 D126H-N 117.132 7.244 E127H-N 116.408 7.543 I128H-N 118.494 7.57 V129H-N 118.338 8.335 D130H-N 124.47 8.769 V133H-N 121.752 7.479 I134H-N 126.779 8.642 L135H-N 129.146 9.139 E136H-N 119.158 7.502 S137H-N 114.595 8.006 D138H-N 125.717 9.396 Q140H-N 116.347 8.141 Q140HE21-NE2 112.501 6.881 Q140HE22-NE2 112.501 7.641 Q141H-N 117.164 7.315 Q141HE21-NE2 112.749 6.726 Q141HE22-NE2 112.749 7.65 V142H-N 119.672 7.37 V143H-N 116.877 8.156 R145H-N 117.487 7.982 V146H-N 119.296 8.408 A147H-N 121.296 7.667 L148H-N 118.712 7.454 R149H-N 125.663 7.441