Assignment w1 w2 G4H-N 109.686 8.428 I5H-N 119.737 7.657 D7H-N 120.793 8.34 R8H-N 121.128 8.156 V9H-N 123.575 8.254 E11H-N 122.05 8.598 S12H-N 116.328 8.322 S13H-N 118.015 8.242 K14H-N 124.12 8.108 H16H-N 119.695 8.365 Q17H-N 121.69 8.291 Q17HE21-NE2 111.853 7.077 Q17HE22-NE2 111.853 6.795 W18H-N 120.178 8.557 Q19H-N 121.399 8.002 Q19HE21-NE2 112.071 7.579 Q19HE22-NE2 112.071 6.827 A20H-N 122.101 8.448 D21H-N 119.834 8.16 E22H-N 120.303 7.927 E23H-N 118.216 7.658 A24H-N 123.585 7.83 V25H-N 121.372 8.592 R26H-N 119.19 8.028 S27H-N 112.323 8.059 A28H-N 124.102 8.087 T29H-N 108.021 8.603 C30H-N 124.334 7.442 S31H-N 124.586 7.996 F32H-N 116.422 8.578 S33H-N 119.77 9.368 V34H-N 120.786 9.18 K35H-N 119.185 9.137 Y36H-N 125.005 9.688 L37H-N 127.543 8.37 G38H-N 130.084 5.147 C39H-N 111.2 7.935 V40H-N 117.471 8.3 E41H-N 128.139 8.455 V42H-N 118.188 8.239 F43H-N 115.843 8.673 E44H-N 117.845 7.154 S45H-N 109.933 7.566 R46H-N 114.304 6.786 G47H-N 103.987 3.198 M48H-N 128.249 9.038 Q49H-N 118.443 8.806 Q49HE21-NE2 112.064 7.633 Q49HE22-NE2 112.064 6.827 V50H-N 120.146 6.885 C51H-N 118.644 7.059 E52H-N 119.781 8.474 E53H-N 119.324 8.116 A54H-N 123.189 7.595 L55H-N 118.769 8.522 K56H-N 118.694 7.545 V57H-N 119.231 7.392 L58H-N 122.013 8.53 R59H-N 118.255 8.458 Q60H-N 116.696 7.499 Q60HE21-NE2 111.029 7.343 Q60HE22-NE2 111.029 6.839 S61H-N 114.63 7.3 R62H-N 121.933 8.455 R63H-N 121.506 7.905 R64H-N 127.376 8.657 V66H-N 121.84 8.045 R67H-N 129.71 8.986 G68H-N 112.966 9.116 L69H-N 122.956 8.567 L70H-N 124.263 9.048 H71H-N 127.812 9.811 V72H-N 123.575 8.303 S73H-N 121.59 8.26 G74H-N 104.915 9.118 D75H-N 114.854 7.952 G76H-N 108.34 7.472 L77H-N 118.272 8.686 R78H-N 121.571 8.525 V79H-N 122.445 8.82 V80H-N 128.197 8.726 D81H-N 128.906 8.903 D82H-N 127.478 9.122 E83H-N 118.423 8.824 T84H-N 107.451 8.087 K85H-N 116.705 8.078 G86H-N 107.55 8.382 L87H-N 123.865 8.442 I88H-N 125.252 8.8 V89H-N 118.848 7.293 D90H-N 126.953 8.615 Q91H-N 125.085 8.793 T92H-N 123.475 8.727 I93H-N 128.549 8.521 E94H-N 118.795 9.236 K95H-N 113.735 6.881 V96H-N 122.622 8.049 S97H-N 121.354 9.388 F98H-N 125.272 7.831 C99H-N 122.492 8.556 A100H-N 119.562 8.564 R103H-N 125.836 9.021 N104H-N 115.061 8.698 N104HD21-ND2 115.823 8.139 N104HD22-ND2 115.823 7.101 H105H-N 120.772 7.759 E106H-N 128.191 9.117 R107H-N 118.863 9.94 G108H-N 107.274 8.441 F109H-N 123.929 8.788 S110H-N 120.387 7.687 Y111H-N 112.119 8.145 I112H-N 120.896 9.157 C113H-N 122.23 9.854 R114H-N 120.97 8.674 D115H-N 128.692 8.793 G116H-N 114.15 8.708 T117H-N 115.27 8.31 T118H-N 110.633 8.082 R119H-N 115.848 7.793 R120H-N 118.856 7.398 W121H-N 123.329 8.583 M122H-N 120.15 9.259 C123H-N 123.96 9.265 H124H-N 129.696 8.786 G125H-N 106.134 7.989 F126H-N 118.02 9.136 L127H-N 119.407 8.87 A128H-N 129.243 9.686 C129H-N 120.081 8.258 K130H-N 116.618 9.363 D131H-N 118.582 7.043 S132H-N 111.711 8.299 G133H-N 110.349 9.443 E134H-N 121.139 8.616 R135H-N 122.605 7.708 L136H-N 122.853 6.532 S137H-N 111.666 7.832 H138H-N 117.151 8.084 A139H-N 123.02 7.378 V140H-N 119.411 7.787 G141H-N 107.797 8.262 C142H-N 121.429 7.472 A143H-N 125.485 7.584 F144H-N 116.351 8.064 A145H-N 123.061 7.502 V146H-N 121.376 8.487 C147H-N 120.78 8.406 L148H-N 120.528 8.017 E149H-N 119.766 8.163 R150H-N 118.403 8.097 K151H-N 120.951 8.086 Q152H-N 118.563 8.347 Q152HE21-NE2 111.099 7.427 Q152HE22-NE2 111.099 6.839 R153H-N 119.193 7.899 R154H-N 120.0 7.939 T155H-N 114.414 8.014 R156H-N 123.215 8.111 A157H-N 125.162 8.189 A158H-N 123.314 8.126 A159H-N 123.934 8.174 S160H-N 120.896 7.847 G161H-N 112.643 8.105 F162H-N 116.836 8.283 F167H-N 122.329 6.842 F170H-N 121.432 8.715