Assignment w1 w2 R6H-N 121.276 7.401 A8H-N 123.259 8.41 K9H-N 115.053 8.398 W10H-N 122.211 8.078 W10HE1-NE1 129.581 10.059 F11H-N 120.334 8.658 L12H-N 120.502 8.161 E13H-N 121.323 9.097 H14H-N 115.092 7.52 G15H-N 106.595 7.857 F16H-N 118.409 8.198 N17H-N 120.275 10.304 I18H-N 109.815 7.512 D22H-N 129.152 8.41 K26H-N 114.863 8.003 E32H-N 119.29 8.614 W33H-N 117.407 6.951 W33HE1-NE1 131.387 10.495 Q34H-N 122.69 8.384 K35H-N 118.159 7.688 Y36H-N 118.517 7.951 S37H-N 113.884 8.074 H38H-N 115.872 7.853 E39H-N 120.173 8.298 M40H-N 119.523 8.516 S42H-N 116.829 8.688 D43H-N 122.152 8.964 E44H-N 119.187 8.576 E45H-N 121.694 7.638 K46H-N 117.752 8.093 Q47H-N 115.41 7.809 R48H-N 121.911 7.792 F49H-N 119.285 8.609 L50H-N 119.044 8.224 K51H-N 121.025 8.01 M52H-N 117.518 7.869 I53H-N 120.831 7.896 E54H-N 124.672 8.722 E55H-N 117.068 7.895 G56H-N 105.24 7.712 N58H-N 115.413 7.814 Y59H-N 112.968 7.634 A60H-N 121.197 8.836 I61H-N 120.222 8.692 G63H-N 106.733 8.334 G64H-N 112.085 9.46 Q65H-N 118.822 6.713 K66H-N 117.426 8.941 G67H-N 106.132 8.312 L68H-N 121.673 7.794 V69H-N 123.442 9.311 L71H-N 128.683 9.164 D72H-N 125.308 8.526 F73H-N 123.938 9.32 E74H-N 124.101 7.917 S75H-N 109.966 8.648 K76H-N 130.796 9.155 E77H-N 119.323 8.336 K78H-N 121.436 8.035 L79H-N 119.66 7.573 K80H-N 118.439 8.159 A81H-N 120.602 7.546 W82H-N 120.393 8.142 W82HE1-NE1 124.674 9.854 G84H-N 112.585 7.484 E85H-N 120.422 8.674 A87H-N 124.888 8.222 L88H-N 119.83 7.857 E89H-N 118.272 8.297 E90H-N 118.63 7.811 L91H-N 120.995 7.71 C92H-N 113.699 8.141 R93H-N 119.714 7.825 K94H-N 117.822 7.588 T95H-N 113.134 7.797 L96H-N 124.081 6.826 T98H-N 114.005 9.435 N99H-N 119.396 9.309 I105H-N 118.575 8.375 H106H-N 126.358 9.111 I107H-N 122.064 9.043 Y108H-N 129.906 8.822 V109H-N 115.442 8.853 L110H-N 118.895 8.412 S111H-N 113.192 8.996 F123H-N 109.361 7.067 E124H-N 119.432 9.468 E125H-N 121.062 9.009 N126H-N 128.212 9.519 G127H-N 103.112 8.659 K128H-N 120.65 7.694 G129H-N 112.046 8.954 I130H-N 114.369 7.955 I131H-N 119.938 7.539 D132H-N 127.86 8.209 Q134H-N 125.976 8.999 N137H-N 115.112 9.465 S138H-N 111.602 8.255 Y139H-N 115.142 7.799 V140H-N 108.377 7.264 L143H-N 119.918 7.643 G144H-N 112.051 8.828 C146H-N 120.49 8.25 N148H-N 123.06 8.386 H149H-N 128.714 9.153 L150H-N 126.052 8.593 C152H-N 122.251 8.048 D155H-N 124.462 8.43 K156H-N 117.813 7.893 C157H-N 122.721 7.23 W159H-N 120.987 8.294 W159HE1-NE1 128.989 9.713 K160H-N 120.253 6.65 E161H-N 117.033 8.08 N163H-N 117.752 8.432 Y164H-N 130.196 8.193 T165H-N 125.557 7.976 T166H-N 113.113 8.03 C167H-N 116.133 8.461 Y171H-N 123.868 7.883 N172H-N 115.674 9.251 E173H-N 122.191 9.747 L174H-N 124.894 8.642 K175H-N 124.477 6.723 E176H-N 114.893 7.973 I177H-N 122.443 8.274 S178H-N 124.622 8.683 K179H-N 123.29 8.352 V180H-N 120.576 9.014 L182H-N 129.343 8.213 K183H-N 118.261 8.805 S184H-N 114.419 7.858 L185H-N 124.707 7.967 L186H-N 118.568 8.77 R187H-N 119.318 8.439 F188H-N 122.913 8.168 L189H-N 119.316 8.445 A190H-N 123.522 9.102 E191H-N 121.678 8.59 K192H-N 116.515 8.023 G193H-N 104.392 8.276 K194H-N 122.356 7.431 L196H-N 118.024 7.375 G197H-N 107.307 7.727 I198H-N 122.354 7.436 T199H-N 118.202 8.992 L200H-N 125.302 8.808 S201H-N 119.208 7.958 K202H-N 123.207 8.989 T203H-N 112.912 8.291 A204H-N 124.912 7.711 K205H-N 118.727 8.638 E206H-N 117.628 8.024 W207H-N 118.94 7.516 W207HE1-NE1 131.838 10.521 E209H-N 115.045 8.178 G210H-N 108.242 7.487 K211H-N 120.258 8.013 K212H-N 123.928 8.405 E213H-N 122.976 8.6 V218H-N 123.087 8.118 V219H-N 124.234 8.11 E220H-N 124.08 8.52 L224H-N 122.719 7.771 R225H-N 118.792 8.683 K226H-N 115.796 7.468 L228H-N 118.605 8.223 V229H-N 119.122 8.589 K230H-N 119.551 7.296 R231H-N 115.351 7.283 D232H-N 121.871 6.924 S233H-N 118.812 8.815 G234H-N 111.558 8.957 K235H-N 121.397 7.86 V237H-N 122.447 8.972 E238H-N 117.654 9.347 K239H-N 119.161 7.087 I240H-N 122.631 8.061 K241H-N 116.665 8.162 E242H-N 118.388 7.321 E243H-N 119.625 8.35 I244H-N 117.23 8.353 C245H-N 114.033 8.422 T246H-N 109.973 7.677 K247H-N 122.536 7.06 I256H-N 115.884 8.064 I257H-N 116.219 8.586 C258H-N 116.147 7.505 E259H-N 116.157 7.539 N260H-N 113.548 7.021 N260HD22-ND2 111.424 7.419 K261H-N 117.753 8.134 T262H-N 108.41 8.452 Y263H-N 122.848 9.769 A264H-N 121.381 8.84 D265H-N 117.197 7.799 N267H-N 117.8 8.051 I268H-N 119.352 7.755 D269H-N 123.421 7.937 R270H-N 121.695 9.897 S271H-N 113.533 9.562 R272H-N 129.292 7.785 G273H-N 110.031 8.054 D274H-N 119.949 8.519 W275H-N 118.499 7.991 H276H-N 113.913 8.488 I278H-N 119.791 8.834 L279H-N 119.23 8.228 Y280H-N 117.379 7.537 L281H-N 121.194 8.783 M282H-N 119.131 8.939 G285H-N 106.988 7.676 V286H-N 124.269 8.255 T287H-N 110.75 8.043 D288H-N 121.152 7.622 D290H-N 116.173 8.266 K291H-N 121.012 7.401 I292H-N 116.756 7.78 L293H-N 116.564 8.111 E294H-N 115.716 7.119 L295H-N 118.314 7.409 L296H-N 119.4 7.237 R298H-N 115.381 8.519 D299H-N 112.638 8.101 S300H-N 112.864 7.626 A302H-N 118.369 8.498 K303H-N 115.707 7.446 E304H-N 120.94 8.121 N305H-N 124.706 8.929 E306H-N 127.75 10.709 K307H-N 122.75 9.01 W308H-N 121.251 7.723 W308HE1-NE1 129.836 10.872 N309H-N 117.185 6.636 T310H-N 118.592 8.586 Q311H-N 121.426 7.672 K312H-N 119.389 7.537 Y313H-N 117.813 7.889 F314H-N 124.086 8.85 V315H-N 117.365 8.463 I316H-N 120.281 8.088 T317H-N 118.48 7.77 L318H-N 119.569 8.676 S319H-N 113.16 8.34 K320H-N 122.412 8.554 A321H-N 124.036 8.75 S323H-N 112.534 7.669 V324H-N 120.602 7.272 V325H-N 122.097 8.402 K326H-N 121.071 8.692 K327H-N 116.906 6.892 Y328H-N 122.062 7.581 L329H-N 121.81 8.389 E330H-N 119.352 7.75 A331H-N 121.417 7.514