Assignment w1 w2 G4H-N 111.413 8.456 A5H-N 123.905 8.189 S6H-N 115.265 8.373 S7H-N 117.814 8.308 A8H-N 126.142 8.278 V9H-N 119.26 8.088 G10H-N 112.719 8.484 G11H-N 108.945 8.282 S12H-N 115.668 8.317 T13H-N 116.309 8.267 R14H-N 123.835 8.328 S15H-N 119.646 8.455 S17H-N 118.113 8.406 V19H-N 119.609 8.1 D20H-N 125.433 8.347 K22H-N 121.781 8.568 R23H-N 123.628 8.248 G24H-N 111.111 8.7 A25H-N 124.932 9.192 V26H-N 123.177 8.598 Q27H-N 123.361 7.787 R29H-N 123.681 7.367 Y30H-N 124.413 9.509 F31H-N 123.472 9.451 I32H-N 117.552 8.728 T33H-N 113.05 8.309 T34H-N 113.986 8.704 S35H-N 118.453 9.629 L36H-N 116.644 7.753 T37H-N 113.918 9.106 E38H-N 122.512 8.903 K39H-N 117.336 8.366 E40H-N 120.697 7.837 R41H-N 121.225 9.237 N42H-N 117.504 8.35 N42HD21-ND2 112.518 7.054 N42HD22-ND2 112.518 7.628 S43H-N 116.73 8.103 V44H-N 124.401 8.887 M45H-N 119.206 8.576 E46H-N 118.338 8.228 A47H-N 121.866 7.846 I48H-N 117.277 8.015 Q49H-N 116.958 7.729 Q49HE21-NE2 110.907 6.855 Q49HE22-NE2 110.907 7.287 K50H-N 119.172 8.142 L51H-N 120.801 8.096 G52H-N 105.045 8.156 Q53H-N 127.105 9.512 Q53HE21-NE2 112.758 7.149 Q53HE22-NE2 112.758 7.538 R54H-N 109.26 8.674 A55H-N 123.407 7.572 V56H-N 119.44 8.724 L57H-N 126.03 8.746 V58H-N 122.042 9.035 D59H-N 121.432 8.217 N60H-N 119.293 8.558 N60HD21-ND2 112.835 6.781 N60HD22-ND2 112.835 7.436 K61H-N 123.523 8.914 V62H-N 119.328 8.267 D63H-N 119.404 8.435 E64H-N 119.564 7.773 I65H-N 121.617 8.51 L66H-N 116.527 6.706 L68H-N 127.067 9.026 N69H-N 112.32 8.334 N69HD21-ND2 109.739 6.479 N69HD22-ND2 109.739 6.346 T70H-N 114.329 7.276 T71H-N 116.348 9.836 H72H-N 124.132 7.988 I73H-N 122.616 9.559 V74H-N 127.249 9.059 L75H-N 128.557 8.884 R76H-N 117.362 7.091 G77H-N 118.077 9.882 R80H-N 122.392 8.219 S81H-N 115.694 7.997 V82H-N 121.619 8.872 K83H-N 119.443 8.618 A84H-N 119.109 7.549 L85H-N 118.895 8.716 C86H-N 116.217 8.448 G87H-N 109.669 8.231 V88H-N 123.212 8.57 V89H-N 105.481 7.617 S90H-N 114.237 7.625 S91H-N 111.715 7.941 K92H-N 116.138 7.756 W93H-N 117.166 7.351 L94H-N 125.742 9.714 V95H-N 118.523 9.361 Q96H-N 119.17 8.817 Q96HE21-NE2 111.39 6.941 Q96HE22-NE2 111.39 7.294 S98H-N 108.576 7.878 Y99H-N 123.205 7.984 V100H-N 118.894 7.134 F101H-N 118.671 7.713 D102H-N 122.124 9.646 S103H-N 121.111 7.109 L104H-N 122.785 7.748 G105H-N 104.715 7.916 A106H-N 122.252 7.56 G107H-N 103.415 7.612 F108H-N 116.247 7.205 W109H-N 115.024 7.027 L110H-N 126.505 7.823 D111H-N 123.84 8.858 E112H-N 129.341 10.281 E113H-N 117.973 7.848 V114H-N 122.74 8.346 E115H-N 115.482 7.734 G116H-N 106.274 7.699 G117H-N 109.379 8.816 L118H-N 123.332 8.656 R119H-N 120.643 7.583 Y120H-N 127.983 9.187 F121H-N 125.737 8.337 L125H-N 116.566 9.983 R126H-N 117.009 6.733 C127H-N 116.005 8.594 Q128H-N 118.19 7.828 Q128HE21-NE2 112.867 7.245 Q128HE22-NE2 112.867 6.812 R129H-N 121.717 8.312 F130H-N 118.766 8.976 L131H-N 125.652 8.841 L132H-N 128.029 8.811 T133H-N 114.987 8.191 M134H-N 121.714 8.136 E136H-N 119.049 8.278 G137H-N 111.341 8.601 V138H-N 118.174 8.364 V139H-N 121.395 7.984 K140H-N 122.244 8.059 T141H-N 114.595 8.26 M142H-N 121.051 8.057 L143H-N 119.196 8.578 Q144H-N 119.786 8.453 Q144HE21-NE2 110.816 7.698 Q144HE22-NE2 110.816 6.793 R145H-N 117.722 7.66 V146H-N 122.0 8.126 V147H-N 119.105 8.195 E148H-N 117.841 8.161 F149H-N 125.263 8.683 G150H-N 102.251 7.977 G151H-N 108.331 8.046 G152H-N 110.6 8.423 E153H-N 118.657 8.486 V154H-N 125.795 9.225 V155H-N 124.4 8.913 G156H-N 109.254 8.507 T157H-N 112.274 7.724 K158H-N 122.829 8.335 R159H-N 123.921 8.779 N160H-N 121.097 8.595 N160HD21-ND2 113.138 7.644 N160HD22-ND2 113.138 6.934 G161H-N 110.251 8.539 S162H-N 115.686 8.127 N164H-N 120.005 8.374 N164HD21-ND2 113.043 7.591 N164HD22-ND2 113.043 6.888 D165H-N 120.114 8.129 Q166H-N 119.804 8.167 Q166HE21-NE2 112.572 6.833 Q166HE22-NE2 112.572 7.522 D167H-N 118.702 8.481 V168H-N 120.046 7.392 V169H-N 130.459 8.419 V170H-N 129.572 8.543 V171H-N 125.889 9.034 S172H-N 119.095 9.035 S173H-N 112.216 7.438 G174H-N 109.562 9.492 D175H-N 120.751 8.216 E176H-N 119.278 7.809 L177H-N 121.867 7.549 L178H-N 119.595 8.187 R179H-N 116.154 8.033 F180H-N 119.458 7.853 A181H-N 120.841 8.34 I182H-N 107.363 7.646 S183H-N 115.913 7.369 R184H-N 122.451 7.821 D185H-N 126.317 7.938