Assignment w1 w2 R2H-N 123.976 8.358 I4H-N 120.626 8.102 N5H-N 123.293 8.467 T7H-N 111.948 8.018 D8H-N 122.547 8.044 Q9H-N 119.452 7.938 S10H-N 114.851 8.235 S11H-N 110.726 7.09 Y12H-N 114.933 7.989 I13H-N 122.696 8.852 V14H-N 126.265 8.29 D15H-N 127.289 9.281 S16H-N 111.234 7.788 V17H-N 112.708 8.644 T18H-N 114.992 8.519 V19H-N 126.064 8.793 K20H-N 126.239 8.482 G22H-N 105.086 9.049 S23H-N 116.811 8.061 I24H-N 121.245 9.345 H25H-N 126.715 9.148 L26H-N 123.097 8.869 Y27H-N 122.518 8.741 F28H-N 117.17 8.694 D29H-N 119.941 8.778 K30H-N 126.395 8.487 A31H-N 130.576 9.052 G32H-N 105.542 8.666 Q33H-N 119.491 7.511 K34H-N 126.919 8.542 T35H-N 124.664 8.716 Y36H-N 114.752 7.574 E37H-N 117.535 8.128 R38H-N 124.342 8.507 H39H-N 123.12 8.896 S40H-N 115.442 9.532 L41H-N 125.246 8.304 S42H-N 113.451 8.087 H43H-N 118.008 6.899 F44H-N 113.472 8.041 V45H-N 117.663 6.828 N46H-N 115.931 7.739 L47H-N 122.068 8.651 D48H-N 116.545 8.038 N49H-N 114.585 7.348 L50H-N 115.756 7.544 R51H-N 116.992 6.741 A52H-N 123.276 9.369 N53H-N 114.134 8.171 N54H-N 116.974 7.446 T55H-N 112.471 8.479 K56H-N 121.593 8.389 G57H-N 108.076 8.098 S58H-N 111.984 7.807 L59H-N 122.701 8.42 I61H-N 108.203 6.645 N62H-N 118.414 8.751 V63H-N 122.571 7.875 I64H-N 120.177 8.113 V65H-N 126.526 8.212 F66H-N 122.669 8.369 D67H-N 120.193 8.848 G68H-N 113.628 7.557 K69H-N 117.617 7.914 S70H-N 114.028 7.844 K71H-N 129.642 8.885 C72H-N 117.68 8.316 E73H-N 121.857 8.134 E74H-N 121.873 8.403 S75H-N 113.8 8.154 S76H-N 118.117 8.263 A77H-N 125.212 8.083 K78H-N 118.599 8.012 S79H-N 116.037 8.242 A80H-N 124.2 8.42 S81H-N 112.289 8.087 V82H-N 123.904 7.226 Y83H-N 119.059 6.982 Y84H-N 116.152 8.331 S85H-N 115.22 8.765 Q86H-N 120.045 7.018 L87H-N 119.724 7.423 M88H-N 113.177 8.433 C89H-N 115.429 7.843 Q90H-N 114.945 7.621 I92H-N 121.557 8.218 L93H-N 126.446 8.471 L94H-N 122.112 8.94 L95H-N 130.998 9.678 D96H-N 129.161 8.448 Q97H-N 127.865 8.979 A98H-N 122.929 8.279 L99H-N 114.575 7.935 V100H-N 110.738 7.137 S101H-N 116.623 7.565 D102H-N 119.002 8.065 V103H-N 118.18 7.433 G104H-N 106.573 7.677 D105H-N 118.07 8.112 S106H-N 112.648 8.314 A107H-N 123.989 7.98 E108H-N 118.928 8.056 V109H-N 119.812 8.487 A110H-N 121.621 8.035 V111H-N 117.308 7.867 K112H-N 119.359 7.627 M113H-N 118.948 8.349 F114H-N 119.696 8.834 D115H-N 116.84 8.464 A116H-N 122.332 7.089 Y117H-N 119.162 7.942 V118H-N 119.217 8.312 N119H-N 119.034 7.784 T120H-N 118.446 8.347 F121H-N 125.714 9.122 S122H-N 111.983 8.898 S123H-N 112.519 8.126 T124H-N 117.581 8.024 F125H-N 114.378 7.233 N126H-N 116.867 7.25 V127H-N 119.197 8.084 M129H-N 124.609 8.758 E130H-N 118.519 9.227 K131H-N 115.732 7.444 L132H-N 116.413 7.639 K133H-N 118.757 7.115 T134H-N 114.818 8.406 L135H-N 123.092 7.637 V136H-N 120.849 8.795 A137H-N 121.651 7.725 T138H-N 115.935 8.055 A139H-N 124.611 7.696 E140H-N 115.616 8.619 A141H-N 121.606 7.576 E142H-N 118.814 7.623 L143H-N 120.421 8.171 A144H-N 120.177 7.561 K145H-N 116.968 7.198 N146H-N 112.129 7.929 V147H-N 120.874 7.273 S148H-N 121.401 8.368 L149H-N 125.838 8.632 D150H-N 116.687 8.244 N151H-N 119.243 7.444 V152H-N 121.665 8.277 L153H-N 120.151 9.108 S154H-N 113.301 7.789 T155H-N 118.363 8.209 F156H-N 122.653 8.46 I157H-N 118.263 8.607 S158H-N 113.2 8.052 A159H-N 120.664 7.284 A160H-N 119.718 8.29 R161H-N 110.454 7.839 Q162H-N 120.346 7.662 G163H-N 114.116 8.66 F164H-N 117.002 8.139 V165H-N 118.704 7.512 D166H-N 130.453 9.128 S167H-N 117.519 8.531 D168H-N 117.825 8.442 V169H-N 121.155 7.493 E170H-N 129.391 9.477 T171H-N 125.39 9.37 K172H-N 118.262 8.992 D173H-N 119.525 7.053 V174H-N 121.245 7.494 V175H-N 118.337 8.086 E176H-N 116.533 8.007 C177H-N 116.998 8.174 L178H-N 118.609 8.227 K179H-N 117.839 8.102 L180H-N 120.474 8.505 S181H-N 113.33 8.354 H182H-N 117.333 7.66 Q183H-N 118.375 8.434 S184H-N 110.724 7.976 D185H-N 121.112 7.652 I186H-N 118.899 7.878 E187H-N 127.849 8.448 V188H-N 119.156 8.292 T189H-N 118.875 8.644 G190H-N 110.032 8.02 D191H-N 121.966 7.983 S192H-N 113.2 8.024 C193H-N 114.338 7.863 N194H-N 112.09 8.775 Y196H-N 110.835 7.359 M197H-N 117.33 9.182 L198H-N 120.72 8.516 N201H-N 116.627 7.818 K202H-N 121.471 7.734 V203H-N 123.61 9.026 E204H-N 119.076 9.63 N205H-N 114.218 7.095 M206H-N 120.394 7.599 T207H-N 115.124 8.978 R209H-N 116.553 8.021 D210H-N 121.415 7.651 L211H-N 122.672 8.494 G212H-N 103.626 8.028 A213H-N 124.282 8.069 C214H-N 118.536 8.481 I215H-N 121.041 8.106 D216H-N 121.791 8.543 C217H-N 112.243 7.624 S218H-N 118.158 8.061 A219H-N 121.514 8.325 R220H-N 116.368 7.679 H221H-N 120.168 9.034 I222H-N 119.421 8.739 N223H-N 126.456 8.562 A224H-N 128.09 9.164 Q225H-N 115.905 8.202 V226H-N 122.005 7.573 A227H-N 120.849 8.137 K228H-N 116.736 8.446 S229H-N 114.299 8.226 H230H-N 115.871 7.48 N231H-N 117.565 7.767 I232H-N 119.551 8.387 A233H-N 126.069 7.84 L234H-N 121.854 8.314 I235H-N 122.354 8.773 W236H-N 130.728 8.827 W236HE1-NE1 129.11 10.623 N237H-N 122.205 8.272 V238H-N 125.249 8.611 K239H-N 122.952 7.25 D240H-N 122.252 8.297 F241H-N 122.492 9.347 M242H-N 112.142 7.981 S243H-N 115.449 7.65 L244H-N 122.276 7.199 S245H-N 119.264 10.09 E246H-N 120.765 8.779 Q247H-N 115.835 8.192 L248H-N 122.077 7.744 R249H-N 117.735 8.214 K250H-N 115.602 7.555 Q251H-N 120.171 8.011 I252H-N 123.293 8.814 R253H-N 117.716 7.255 S254H-N 116.551 8.697 A255H-N 123.426 7.907 A256H-N 120.684 7.546 K257H-N 118.857 7.864 K258H-N 119.329 8.402 N259H-N 113.907 7.219 N260H-N 115.631 7.994 L261H-N 119.602 8.292 F263H-N 122.524 7.845 K264H-N 125.256 8.504 L265H-N 118.038 8.115 T266H-N 111.511 8.248 C267H-N 121.011 8.645 A268H-N 127.341 8.927 T269H-N 109.022 8.797 T270H-N 115.758 7.363 R271H-N 120.814 8.319 Q272H-N 122.5 8.269 V273H-N 125.849 8.536 V274H-N 125.778 8.312 T279H-N 112.935 8.627 K280H-N 125.164 8.763 I281H-N 125.492 7.651 A282H-N 127.938 7.854 L283H-N 119.566 8.194 K284H-N 121.948 8.265 G285H-N 111.048 8.354 G286H-N 115.02 7.876