Assignment w1 w2 A2H-N 124.582 9.206 D3H-N 114.65 8.76 D4H-N 115.046 7.866 V5H-N 107.869 7.685 V6H-N 122.955 8.411 D7H-N 125.025 9.148 S8H-N 125.042 9.305 S9H-N 118.186 8.523 K10H-N 120.671 7.074 S11H-N 116.57 7.247 F12H-N 122.925 9.093 V13H-N 121.653 9.228 M14H-N 125.252 7.885 N16H-N 121.664 8.575 N16HD21-ND2 114.443 7.735 N16HD22-ND2 114.443 7.083 F17H-N 118.666 8.857 S18H-N 125.458 7.996 S19H-N 112.869 8.272 Y20H-N 114.695 9.689 H21H-N 119.481 9.401 G22H-N 114.076 7.861 T23H-N 116.201 8.731 G26H-N 112.085 8.503 Y27H-N 120.075 8.011 V28H-N 121.831 8.008 D29H-N 127.523 10.052 S30H-N 114.439 8.237 K33H-N 121.711 8.5 G34H-N 107.247 7.345 I35H-N 118.707 8.07 Q36H-N 122.191 8.181 K37H-N 125.961 8.412 K39H-N 124.205 8.267 S40H-N 120.445 8.093 T42H-N 112.622 8.177 Q43H-N 121.423 8.728 Q43HE21-NE2 111.542 7.631 Q43HE22-NE2 111.542 7.057 G44H-N 109.234 8.453 N45H-N 118.497 8.263 N45HD21-ND2 112.492 7.633 N45HD22-ND2 112.492 6.937 Y46H-N 120.478 8.092 D47H-N 121.669 8.755 D48H-N 115.595 8.18 D49H-N 117.747 8.723 W50H-N 114.055 7.851 K51H-N 122.236 7.261 G52H-N 110.88 7.872 F53H-N 119.768 7.892 Y54H-N 104.108 8.948 S55H-N 118.888 9.431 T56H-N 113.536 9.822 D57H-N 125.813 9.097 N58H-N 119.697 7.968 K59H-N 124.87 8.295 Y60H-N 120.505 7.477 D61H-N 119.356 7.814 A62H-N 122.544 7.859 A63H-N 117.525 7.681 G64H-N 106.268 7.867 Y65H-N 117.771 7.649 S66H-N 115.881 8.105 V67H-N 121.516 8.198 D68H-N 124.502 8.457 N69H-N 119.13 8.331 N69HD21-ND2 112.25 7.715 N69HD22-ND2 112.25 7.069 E70H-N 121.237 8.527 N71H-N 114.969 7.715 N71HD21-ND2 112.39 7.938 N71HD22-ND2 112.39 7.005 L73H-N 116.624 7.995 S74H-N 117.119 8.32 G75H-N 108.568 7.859 K76H-N 118.268 8.732 G78H-N 107.199 8.201 V80H-N 118.768 8.428 V81H-N 118.205 8.679 K82H-N 124.912 9.051 V83H-N 128.493 8.972 T84H-N 115.881 8.105 Y85H-N 127.388 8.543 G87H-N 109.224 8.956 L88H-N 125.696 9.369 T89H-N 121.13 8.738 K90H-N 126.836 7.995 V91H-N 130.467 9.02 L92H-N 129.711 8.902 A93H-N 130.122 8.516 L94H-N 123.177 8.678 K95H-N 116.417 8.848 V96H-N 109.79 7.292 D97H-N 115.866 8.072 N98H-N 116.596 6.616 N98HD21-ND2 112.357 7.789 N98HD22-ND2 112.357 7.262 A99H-N 128.583 9.889 E100H-N 118.808 8.413 T101H-N 116.364 7.813 I102H-N 120.694 8.055 K103H-N 116.38 8.412 K104H-N 117.349 8.25 E105H-N 117.234 8.578 L106H-N 114.438 8.132 G107H-N 108.807 7.687 L108H-N 119.317 8.633 S109H-N 113.018 8.277 L110H-N 125.986 9.036 T111H-N 106.735 7.957 E112H-N 120.639 6.833 L114H-N 127.439 10.054 M115H-N 111.936 8.091 E116H-N 117.874 6.948 Q117H-N 119.158 7.635 V118H-N 118.885 7.68 G119H-N 102.287 7.053 T120H-N 110.671 7.678 E121H-N 122.252 9.014 E122H-N 117.875 9.001 F123H-N 121.513 7.767 I124H-N 120.603 8.468 K125H-N 122.432 8.817 R126H-N 118.123 7.64 F127H-N 112.818 8.186 G128H-N 107.675 8.181 D129H-N 117.784 8.807 G130H-N 103.603 8.293 A131H-N 121.802 7.894 S132H-N 112.56 8.069 R133H-N 112.112 7.327 V134H-N 120.525 8.956 V135H-N 129.672 9.303 L136H-N 123.083 7.973 S137H-N 115.884 8.293 L138H-N 117.987 8.202 F140H-N 121.815 8.18 E142H-N 121.746 8.608 G143H-N 112.905 8.907 S144H-N 115.137 7.964 S145H-N 118.508 8.8 S146H-N 117.789 8.524 V147H-N 120.585 8.273 E148H-N 124.243 8.395 Y149H-N 122.412 9.102 I150H-N 119.63 9.305 N151H-N 122.599 8.334 N152H-N 125.153 9.096 W153H-N 126.839 9.38 E154H-N 118.391 7.831 Q155H-N 118.461 8.873 A156H-N 121.721 8.588 K157H-N 116.96 7.335 A158H-N 118.346 7.486 L159H-N 116.96 7.335 S160H-N 117.832 8.902 V161H-N 124.87 8.701 E162H-N 126.397 9.065 L163H-N 126.235 9.12 E164H-N 128.041 8.762 N166H-N 123.469 8.682 F167H-N 120.086 8.351 E168H-N 120.301 8.378 T169H-N 121.578 8.247 R170H-N 121.605 8.33 G171H-N 110.034 8.112 R173H-N 128.27 8.031 G174H-N 112.34 8.358 Q175H-N 121.423 8.731 A177H-N 120.779 7.964 M178H-N 118.662 8.042 Y179H-N 118.662 8.042 E180H-N 126.066 7.944 M182H-N 118.498 9.083 A183H-N 120.356 7.889 Q184H-N 116.319 7.543 A185H-N 125.459 8.064 C186H-N 115.92 7.862 A187H-N 125.011 8.172 G188H-N 107.551 8.369 N189H-N 118.238 8.298 N189HD21-ND2 111.939 7.28 R190H-N 120.957 8.216 V191H-N 120.832 8.074 R192H-N 125.163 8.396 R193H-N 122.834 8.435 S194H-N 117.274 8.398 V195H-N 121.232 8.276 G196H-N 112.734 8.601 S197H-N 115.664 8.224 S198H-N 116.797 8.315 L199H-N 123.28 8.255 S200H-N 121.597 7.931 I202H-N 121.991 8.083 N203H-N 122.452 8.459 N203HD21-ND2 112.353 7.531 L204H-N 123.882 8.342 D205H-N 126.279 7.955