Assignment w1 w2 K23H-N 120.17 8.167 K24H-N 119.136 8.087 F25H-N 118.867 8.128 K26H-N 120.224 8.218 S28H-N 114.635 8.138 T29H-N 115.193 8.105 Y30H-N 121.365 8.106 S31H-N 116.428 8.234 R32H-N 122.452 8.373 S33H-N 115.365 8.428 S34H-N 117.383 8.376 V35H-N 119.299 7.947 D36H-N 120.682 8.105 V37H-N 119.342 7.986 L38H-N 120.588 8.037 Y39H-N 117.472 8.137 T40H-N 114.599 8.056 F41H-N 120.346 8.113 A42H-N 120.796 8.163 N43H-N 114.645 8.14 C44H-N 117.417 8.012 S45H-N 116.949 8.587 G46H-N 109.771 8.658 L47H-N 120.382 8.131 D48H-N 118.673 8.102 L49H-N 120.6 8.036 I50H-N 117.75 7.853 F51H-N 119.412 8.329 G52H-N 108.263 8.464 L53H-N 122.31 8.431 N54H-N 116.744 8.369 A55H-N 120.118 7.98 L56H-N 117.635 8.228 L57H-N 120.124 8.121 R58H-N 116.467 7.997 T59H-N 111.995 7.881 A60H-N 124.214 7.959 D61H-N 118.001 8.267 L62H-N 120.897 7.958 Q63H-N 119.582 8.179 W64H-N 122.619 8.505 W64HE1-NE1 129.462 10.317 N65H-N 120.113 7.851 N65HD21-ND2 112.655 7.605 N65HD22-ND2 112.655 6.922 S66H-N 116.562 8.581 S67H-N 118.0 8.401 N68H-N 120.321 8.349 A69H-N 121.636 8.075 Q70H-N 116.442 8.011 L71H-N 118.926 7.834 L72H-N 119.056 7.815 L73H-N 120.802 8.276 D74H-N 121.205 8.857 Y75H-N 122.697 8.444 C76H-N 117.532 8.631 S77H-N 115.341 8.637 S78H-N 118.775 8.267 K79H-N 119.364 7.407 G80H-N 106.098 7.797 Y81H-N 119.709 7.852 N82H-N 121.264 8.579 I83H-N 121.684 8.189 S84H-N 119.175 8.267 W85H-N 122.782 8.029 W85HE1-NE1 129.243 10.261 E86H-N 121.331 8.3 L87H-N 122.732 8.212 G88H-N 108.517 8.509 N89H-N 117.893 8.275 E90H-N 120.688 8.358 N92H-N 117.113 8.553 S93H-N 115.617 8.269 F94H-N 122.505 8.581 L95H-N 118.511 8.123 K96H-N 118.087 7.845 K97H-N 118.69 8.116 A98H-N 121.061 8.169 D99H-N 117.411 8.149 I100H-N 117.962 7.818 I102H-N 118.667 7.946 G104H-N 108.706 8.284 S105H-N 115.285 8.016 Q106H-N 122.376 8.672 L107H-N 120.649 8.314 G108H-N 106.562 8.349 E109H-N 120.47 8.113 D110H-N 119.013 8.472 F111H-N 119.33 8.399 I112H-N 119.783 8.165 Q113H-N 119.154 8.261 L114H-N 119.293 8.315 H115H-N 116.887 8.478 K116H-N 117.692 7.99 L117H-N 119.099 7.952 R119H-N 117.692 8.036 K120H-N 117.799 7.914 S121H-N 119.605 8.085 T122H-N 115.418 8.295 F123H-N 120.47 8.201 K124H-N 120.081 8.138 N125H-N 117.806 8.344 N125HD21-ND2 112.345 7.711 N125HD22-ND2 112.345 6.984 A126H-N 123.405 8.111 K127H-N 118.403 8.186 L128H-N 120.703 8.091 Y129H-N 117.353 7.88 G130H-N 109.166 8.118 D132H-N 119.081 8.488 V133H-N 118.9 7.935 G134H-N 111.0 8.481 Q135H-N 120.272 8.183 R137H-N 120.648 8.609 R138H-N 120.587 8.406 K139H-N 121.865 8.787 T140H-N 115.419 8.39 A141H-N 123.194 8.408 K142H-N 117.458 8.034 M143H-N 114.616 8.14 K145H-N 117.628 8.228 S146H-N 114.25 8.053 F147H-N 121.52 8.213 L148H-N 118.049 8.19 K149H-N 118.595 8.04 A150H-N 122.029 8.056 G151H-N 106.074 8.478 G152H-N 107.865 8.313 E153H-N 119.431 8.091 V154H-N 118.256 7.999 I155H-N 120.008 7.991 D156H-N 121.056 8.177 S157H-N 114.714 8.122 V158H-N 120.676 8.017 T159H-N 116.763 8.186 W160H-N 122.12 8.097 W160HE1-NE1 129.354 10.343 H161H-N 117.716 8.265 H162H-N 119.329 8.39 Y163H-N 119.483 8.172 Y164H-N 119.141 8.193 L165H-N 118.943 7.999 N166H-N 117.61 8.227 N166HD21-ND2 112.045 7.613 N166HD22-ND2 112.045 6.904 G167H-N 108.31 8.387 R168H-N 119.652 8.073 T169H-N 113.654 8.19 A170H-N 125.543 8.262 T171H-N 111.853 8.385 R172H-N 121.812 8.595 E173H-N 118.604 8.516 D174H-N 118.719 8.117 F175H-N 117.446 7.844 L176H-N 117.839 7.768 N177H-N 120.183 7.79 D179H-N 117.449 8.313 V180H-N 119.296 7.83 L181H-N 120.021 7.97 D182H-N 117.311 8.107 I183H-N 120.016 7.822 F184H-N 122.675 8.444 I185H-N 118.804 8.892 S186H-N 114.147 8.322 S187H-N 118.197 8.152 V188H-N 121.06 8.183 Q189H-N 118.142 8.306 K190H-N 118.57 7.872 V191H-N 118.297 7.968 F192H-N 118.414 8.395 Q193H-N 117.567 8.2 V194H-N 119.573 8.085 V195H-N 120.298 8.289 E196H-N 118.86 8.413 S197H-N 112.902 7.931 T198H-N 113.274 7.868 R199H-N 122.222 8.02 G201H-N 108.41 8.529 K202H-N 120.272 8.132 K203H-N 121.441 8.347 V204H-N 120.037 8.132 W205H-N 122.882 8.213 W205HE1-NE1 129.745 10.391 L206H-N 121.838 8.004 G207H-N 107.585 7.811 E208H-N 120.169 8.314 T209H-N 114.112 8.243 S210H-N 117.275 8.351 S211H-N 117.449 8.317 A212H-N 125.063 8.257 Y213H-N 118.0 8.051 G214H-N 110.17 8.276 G215H-N 108.079 7.974 G216H-N 108.322 8.299 A217H-N 124.174 8.192 L219H-N 120.7 8.323 L220H-N 120.819 8.398 S221H-N 114.582 8.296 D222H-N 121.404 8.383 T223H-N 116.096 8.081 F224H-N 120.077 8.199 A225H-N 121.718 8.161 A226H-N 120.26 8.133 G227H-N 105.868 8.3 F228H-N 119.563 8.386 M229H-N 119.31 8.259 W230H-N 120.111 8.057 W230HE1-NE1 129.379 10.385 L231H-N 118.502 7.954 D232H-N 117.905 8.084 K233H-N 118.722 7.956 L234H-N 118.51 7.794 G235H-N 106.94 8.171 L236H-N 120.385 8.063 S237H-N 114.41 8.206 A238H-N 124.665 8.575 R239H-N 116.817 8.329 M240H-N 117.503 8.161 G241H-N 106.782 8.437 I242H-N 120.112 8.345 E243H-N 120.24 8.333 V244H-N 117.993 8.029 V245H-N 119.172 7.887 M246H-N 117.116 8.611 R247H-N 117.615 8.295 Q248H-N 116.744 8.032 V249H-N 117.305 8.187 F250H-N 116.479 8.082 F251H-N 116.589 8.094 G252H-N 108.649 8.117 A253H-N 122.975 8.242 G254H-N 106.306 8.323 N255H-N 117.725 8.135 N255HD21-ND2 112.416 7.531 N255HD22-ND2 112.416 6.883 Y256H-N 119.412 7.995 H257H-N 118.754 8.294 L258H-N 122.153 8.399 V259H-N 116.262 7.898 D260H-N 122.34 8.253 E261H-N 119.72 8.487 N262H-N 117.688 8.443 N262HD21-ND2 113.463 6.949 N262HD22-ND2 113.463 7.73 F263H-N 119.916 8.012 D264H-N 123.744 8.2 L266H-N 121.668 8.105 D268H-N 117.54 8.35 Y269H-N 119.465 8.068 W270H-N 121.403 7.993 W270HE1-NE1 129.569 10.484 L271H-N 119.506 7.451 S272H-N 113.588 7.782 L273H-N 121.468 7.796 L274H-N 119.28 8.076 F275H-N 117.46 8.371 K276H-N 117.567 8.202 K277H-N 117.782 7.96 L278H-N 117.596 8.013 V279H-N 113.504 7.878 G280H-N 109.046 7.911 T281H-N 113.586 8.028 K282H-N 128.579 7.98