Assignment w1 w2 H4H-N 127.545 7.658 T5H-N 123.83 7.482 F6H-N 125.227 8.488 Y7H-N 127.531 10.482 G8H-N 104.295 8.654 T9H-N 115.397 8.159 R10H-N 128.934 8.585 L11H-N 127.074 7.385 L12H-N 124.352 8.359 N13H-N 115.414 8.154 N13HD21-ND2 113.186 7.519 N13HD22-ND2 113.186 6.783 K15H-N 125.046 7.878 V17H-N 115.615 8.08 D18H-N 115.602 7.295 F19H-N 112.99 8.922 A20H-N 122.832 8.247 L21H-N 126.586 8.823 E22H-N 120.552 8.809 G23H-N 110.382 8.328 Q25H-N 114.299 8.629 Q25HE21-NE2 112.223 7.507 Q25HE22-NE2 112.223 6.75 G26H-N 108.417 7.293 V28H-N 123.569 8.749 R29H-N 124.763 8.356 L30H-N 126.421 7.29 S31H-N 115.001 8.768 Q32H-N 122.135 7.737 Q32HE21-NE2 112.205 7.167 Q32HE22-NE2 112.205 6.922 F33H-N 117.744 7.925 Q34H-N 119.209 7.087 Q34HE21-NE2 110.36 7.355 Q34HE22-NE2 110.36 6.536 D35H-N 115.957 8.695 K36H-N 119.435 7.988 V37H-N 123.953 8.955 V38H-N 128.703 9.209 L39H-N 126.883 8.374 L40H-N 124.669 9.426 F41H-N 125.531 8.343 F42H-N 128.885 8.922 G43H-N 101.335 7.571 F44H-N 118.602 8.254 T45H-N 111.855 9.284 R46H-N 120.112 7.088 C47H-N 126.336 5.989 D49H-N 124.308 9.922 V50H-N 130.577 9.658 C51H-N 126.981 11.15 T53H-N 112.915 7.574 T54H-N 121.419 8.138 L55H-N 121.859 7.919 L56H-N 119.916 7.883 A57H-N 123.864 7.613 L58H-N 120.834 8.543 K59H-N 121.614 8.499 R60H-N 117.183 8.192 A61H-N 118.427 7.476 Y62H-N 117.302 8.562 E63H-N 112.636 8.454 K64H-N 118.205 7.231 L65H-N 121.777 7.084 K68H-N 114.5 8.619 A69H-N 120.408 7.257 Q70H-N 117.281 7.959 Q70HE21-NE2 111.91 6.569 Q70HE22-NE2 111.91 7.114 E71H-N 113.364 7.21 R72H-N 116.356 7.408 V73H-N 119.718 7.386 Q74H-N 126.23 8.78 V75H-N 129.151 8.202 I76H-N 129.907 9.352 F77H-N 127.374 9.072 V78H-N 128.163 8.093 S79H-N 115.447 7.235 V80H-N 114.196 8.376 D81H-N 118.197 8.985 E83H-N 116.253 8.463 R84H-N 112.213 6.696 D85H-N 119.817 7.905 E88H-N 113.841 9.505 V89H-N 121.037 7.089 A90H-N 122.33 8.086 D91H-N 116.616 8.437 R92H-N 117.523 7.643 Y93H-N 119.008 7.71 A94H-N 119.409 7.708 K95H-N 114.571 8.216 A96H-N 121.253 7.254 F97H-N 115.952 7.162 H98H-N 117.287 6.622 S100H-N 116.84 10.172 F101H-N 124.894 8.097 L102H-N 119.394 7.562 G103H-N 112.057 9.563 L104H-N 118.811 8.761 S105H-N 112.068 8.315 G106H-N 107.421 8.431 S107H-N 116.874 8.625 E109H-N 116.714 8.791 A110H-N 125.395 7.986 V111H-N 120.133 8.223 R112H-N 119.954 7.677 E113H-N 118.546 7.72 A114H-N 121.982 7.773 A115H-N 118.539 8.824 Q116H-N 118.826 8.675 Q116HE21-NE2 111.39 7.406 Q116HE22-NE2 111.39 6.742 T117H-N 119.069 7.942 F118H-N 116.402 7.013 G119H-N 108.868 7.658 V120H-N 122.062 7.928 F121H-N 128.98 8.614 Y122H-N 118.13 7.178 Q123H-N 116.54 8.325 Q123HE21-NE2 111.716 7.675 Q123HE22-NE2 111.716 6.74 K124H-N 123.463 8.695 S125H-N 118.357 8.874 Q126H-N 118.273 8.779 Q126HE21-NE2 112.744 6.819 Q126HE22-NE2 112.744 7.579 Y127H-N 118.558 8.271 R128H-N 127.22 8.633 G129H-N 108.685 7.237 G131H-N 109.529 8.92 E132H-N 123.565 8.146 Y133H-N 118.108 6.808 L134H-N 119.666 8.64 V135H-N 118.406 5.712 D136H-N 128.677 8.838 H137H-N 117.434 7.858 T138H-N 117.592 8.253 A139H-N 131.375 9.126 T140H-N 115.189 6.901 T141H-N 121.769 8.652 F142H-N 127.454 9.641 V143H-N 121.082 8.785 V144H-N 130.087 9.613 K145H-N 126.425 9.077 E146H-N 130.212 9.573 G147H-N 102.292 8.575 R148H-N 116.991 7.707 L149H-N 125.536 8.736 V150H-N 117.409 8.583 L151H-N 122.951 7.62 L152H-N 119.083 7.967 Y153H-N 117.31 8.974 S154H-N 121.068 7.936 D156H-N 112.17 8.464 K157H-N 120.113 7.386 A158H-N 119.197 7.788 E159H-N 109.724 6.595 A160H-N 123.425 7.334 T161H-N 120.401 8.232 D162H-N 116.747 8.613 R163H-N 118.902 7.277 V164H-N 121.927 7.927 V165H-N 117.514 8.495 A166H-N 120.219 7.208 D167H-N 119.795 7.967 L168H-N 116.768 8.51 Q169H-N 114.459 8.24 Q169HE21-NE2 109.389 6.814 Q169HE22-NE2 109.389 6.606 A170H-N 120.357 7.265 L171H-N 118.183 7.464 L172H-N 125.597 6.985