Assignment w1 w2 A2H-N 123.083 8.122 C3H-N 120.212 8.688 L5H-N 122.105 10.744 E6H-N 116.903 7.1 K7H-N 119.202 8.057 A8H-N 122.047 8.303 L9H-N 118.304 7.827 D10H-N 119.12 7.755 V11H-N 121.019 8.46 M12H-N 124.076 8.798 V13H-N 119.899 8.438 S14H-N 114.212 8.882 T15H-N 117.955 8.626 F16H-N 119.496 7.06 H17H-N 113.94 7.006 K18H-N 121.117 7.776 Y19H-N 113.201 6.865 S20H-N 113.387 8.332 G21H-N 110.599 7.778 K22H-N 122.254 7.234 E23H-N 116.364 9.611 G24H-N 113.47 8.992 D25H-N 126.249 8.603 K26H-N 131.92 9.346 F27H-N 119.93 9.572 K28H-N 115.269 7.197 L29H-N 125.725 9.658 N30H-N 123.459 9.628 N30HD21-ND2 109.911 7.61 N30HD22-ND2 109.911 7.451 K31H-N 116.427 8.388 S32H-N 114.823 7.664 E33H-N 123.35 8.691 L34H-N 118.973 8.926 K35H-N 118.436 7.967 E36H-N 121.732 7.847 L37H-N 121.009 7.942 L38H-N 118.935 8.557 T39H-N 108.236 7.943 R40H-N 116.129 8.115 E41H-N 112.916 8.575 L42H-N 119.303 7.702 S44H-N 116.769 9.807 F45H-N 117.235 7.948 L46H-N 119.086 7.286 G47H-N 107.993 8.581 K48H-N 119.421 8.572 R49H-N 119.342 8.257 T50H-N 114.007 8.302 D51H-N 122.142 8.247 E52H-N 121.154 8.793 A53H-N 121.346 8.337 A54H-N 121.471 7.874 F55H-N 115.504 7.778 Q56H-N 119.642 7.906 Q56HE21-NE2 112.291 7.516 Q56HE22-NE2 112.291 6.933 K57H-N 121.784 8.111 L58H-N 120.113 8.347 M59H-N 116.081 7.958 S60H-N 112.647 8.075 N61H-N 120.093 8.333 N61HD21-ND2 108.014 7.403 N61HD22-ND2 108.014 6.625 L62H-N 114.771 7.714 D63H-N 117.571 7.869 S64H-N 124.019 8.253 N65H-N 115.165 8.016 N65HD21-ND2 113.347 7.851 N65HD22-ND2 113.347 6.652 R66H-N 115.624 7.785 D67H-N 119.132 8.601 N68H-N 116.933 10.398 N68HD21-ND2 113.03 7.501 N68HD22-ND2 113.03 6.837 E69H-N 116.046 7.846 V70H-N 126.19 9.995 D71H-N 128.739 9.118 F72H-N 118.035 8.954 Q73H-N 120.928 8.271 Q73HE21-NE2 111.925 7.642 Q73HE22-NE2 111.925 6.791 E74H-N 119.069 8.805 Y75H-N 123.916 8.909 C76H-N 122.682 8.462 V77H-N 122.059 8.431 F78H-N 121.882 8.237 L79H-N 117.045 8.169 S80H-N 116.137 8.282 C81H-N 121.12 8.585 I82H-N 120.492 7.809 A83H-N 125.026 8.968 M84H-N 116.998 8.928 M85H-N 121.259 7.644 C86H-N 117.99 8.444 N87H-N 119.102 8.685 E88H-N 118.332 7.551 F89H-N 116.006 7.372 F90H-N 120.581 7.576 E91H-N 120.709 8.03 G92H-N 107.06 7.19 F93H-N 119.81 8.037 D95H-N 119.838 8.307 K96H-N 120.909 8.16 Q97H-N 121.757 8.246 R99H-N 121.453 8.375 K100H-N 123.598 8.338 K101H-N 128.149 7.964 A2H-N 124.568 8.268 C3H-N 120.347 8.877 L5H-N 121.635 10.862 E6H-N 116.886 7.09 K7H-N 119.549 8.253 A8H-N 121.901 8.236 L9H-N 118.148 7.735 D10H-N 119.339 7.801 V11H-N 121.136 8.533 M12H-N 124.577 8.668 V13H-N 119.494 8.298 S14H-N 115.022 9.092 T15H-N 118.291 8.722 F16H-N 119.226 6.982 H17H-N 114.667 7.052 K18H-N 121.764 7.923 Y19H-N 113.07 6.825 S20H-N 114.117 8.521 G21H-N 109.98 7.7 K22H-N 122.101 7.243 E23H-N 116.364 9.611 G24H-N 113.47 8.992 D25H-N 126.249 8.604 K26H-N 131.92 9.346 F27H-N 119.935 9.57 K28H-N 115.2 7.206 L29H-N 125.725 9.659 N30H-N 123.41 9.591 N30HD21-ND2 109.911 7.609 N30HD22-ND2 109.911 7.451 K31H-N 116.553 8.346 S32H-N 114.825 7.719 E33H-N 123.35 8.691 L34H-N 118.775 8.92 K35H-N 118.446 8.027 E36H-N 121.478 7.851 L37H-N 121.009 7.943 L38H-N 117.91 8.52 T39H-N 107.547 7.96 R40H-N 116.326 8.221 E41H-N 113.122 8.515 L42H-N 118.897 7.603 S44H-N 116.771 9.966 F45H-N 117.442 8.047 L46H-N 119.411 7.324 G47H-N 109.439 8.253 K48H-N 119.298 8.289 R49H-N 119.538 8.217 T50H-N 114.541 7.995 D51H-N 122.855 7.967 E52H-N 120.774 8.633 A53H-N 121.888 8.345 A54H-N 122.037 7.999 F55H-N 116.864 7.984 Q56H-N 120.615 8.371 Q56HE21-NE2 112.167 7.51 Q56HE22-NE2 112.167 6.933 K57H-N 120.461 7.98 L58H-N 119.983 7.999 M59H-N 118.514 8.264 S60H-N 111.599 8.051 N61H-N 117.403 7.718 N61HD21-ND2 110.714 7.119 N61HD22-ND2 110.714 6.905 L62H-N 117.339 7.999 D63H-N 116.5 7.765 S64H-N 122.727 8.305 N65H-N 116.665 8.178 N65HD21-ND2 112.829 7.833 N65HD22-ND2 112.829 6.625 R66H-N 115.203 7.689 D67H-N 119.708 8.734 N68H-N 116.687 10.284 N68HD21-ND2 113.111 7.517 N68HD22-ND2 113.111 6.845 E69H-N 116.159 7.818 V70H-N 126.017 10.036 D71H-N 128.856 9.363 F72H-N 118.488 8.972 Q73H-N 120.907 8.269 Q73HE21-NE2 111.925 7.642 Q73HE22-NE2 111.925 6.79 E74H-N 120.116 8.897 Y75H-N 123.052 8.748 C76H-N 121.074 8.332 V77H-N 122.989 8.379 F78H-N 119.334 7.673 L79H-N 119.034 8.577 S80H-N 114.976 8.24 C81H-N 118.923 7.618 I82H-N 120.779 7.939 A83H-N 124.5 8.823 M84H-N 117.321 8.697 M85H-N 120.696 8.085 C86H-N 118.344 8.349 N87H-N 118.866 8.604 E88H-N 118.28 7.703 F89H-N 116.52 7.375 F90H-N 120.846 7.742 E91H-N 119.977 8.096 G92H-N 106.736 7.227 F93H-N 119.931 7.971 D95H-N 119.694 8.292 K96H-N 120.816 8.146 Q97H-N 121.616 8.214 R99H-N 121.453 8.375 K100H-N 123.598 8.338 K101H-N 128.149 7.964