Assignment w1 w2 A6H-N 123.897 8.318 D7H-N 119.485 8.423 I8H-N 119.151 7.543 V9H-N 123.897 8.61 K10H-N 126.799 8.679 V11H-N 116.937 8.681 A12H-N 122.526 8.16 I13H-N 120.47 9.112 E14H-N 125.467 9.101 W15H-N 125.005 8.427 W15HE1-NE1 127.695 9.777 G17H-N 110.418 7.877 A18H-N 123.81 8.054 Y19H-N 122.509 8.336 K21H-N 122.931 8.906 L22H-N 127.062 8.527 M23H-N 123.002 8.987 E24H-N 122.105 8.398 I25H-N 124.32 9.241 D26H-N 127.273 7.921 Q27H-N 124.162 8.902 Q27HE21-NE2 112.665 7.62 Q27HE22-NE2 112.665 6.345 K28H-N 117.235 8.618 K29H-N 123.072 7.815 L31H-N 126.517 9.669 S32H-N 111.769 8.66 A33H-N 123.969 7.125 I34H-N 121.366 7.541 I35H-N 119.383 8.601 K36H-N 120.101 7.701 E37H-N 118.22 7.495 V38H-N 120.244 8.219 C39H-N 118.958 8.596 D40H-N 121.349 8.999 G41H-N 107.233 7.584 W42H-N 120.576 7.172 W42HE1-NE1 127.796 10.123 S43H-N 112.49 7.819 L44H-N 120.329 8.114 A45H-N 126.025 8.3 N46H-N 113.225 8.603 N46HD21-ND2 113.317 7.555 N46HD22-ND2 113.317 6.849 H47H-N 117.148 7.902 E48H-N 119.697 8.787 Y49H-N 118.22 8.09 F50H-N 119.187 7.81 A51H-N 121.665 9.272 L52H-N 118.379 9.349 Q53H-N 119.474 8.985 Q53HE21-NE2 110.182 6.747 Q53HE22-NE2 110.182 6.003 H54H-N 123.951 8.729 A55H-N 126.166 8.295 D56H-N 118.589 8.191 S57H-N 112.912 8.028 S58H-N 117.672 8.348 N59H-N 116.726 8.021 N59HD21-ND2 112.262 7.378 N59HD22-ND2 112.262 6.719 F60H-N 119.012 7.851 Y61H-N 121.894 8.472 I62H-N 122.474 8.85 T63H-N 120.329 9.591 E64H-N 117.886 8.926 K65H-N 115.003 7.785 N66H-N 115.495 7.551 N66HD21-ND2 108.326 7.44 N66HD22-ND2 108.326 7.43 R67H-N 118.101 7.79 R67HE-NE 82.17 7.021 N68H-N 118.571 8.47 N68HD21-ND2 112.647 7.625 N68HD22-ND2 112.647 6.927 E69H-N 117.623 7.879 I70H-N 119.257 7.317 K71H-N 125.585 8.152 N72H-N 120.54 8.915 N72HD21-ND2 114.511 7.741 N72HD22-ND2 114.511 7.231 G73H-N 112.612 9.468 T74H-N 118.115 7.734 I75H-N 124.619 8.283 L76H-N 127.29 9.413 R77H-N 119.24 9.508 R77HE-NE 84.048 7.376 L78H-N 127.079 8.679 T79H-N 120.787 9.268 T80H-N 115.304 8.314 S81H-N 119.52 8.397 A83H-N 122.65 8.014 Q84H-N 118.606 8.051 Q84HE21-NE2 111.817 7.328 Q84HE22-NE2 111.817 6.665 N85H-N 118.828 8.22 N85HD21-ND2 112.49 7.538 N85HD22-ND2 112.49 6.865 A86H-N 123.529 8.158 Q87H-N 118.536 8.18 Q88H-N 120.159 8.219 L89H-N 122.193 8.087 H90H-N 118.831 8.129 E91H-N 120.857 8.172 R92H-N 121.437 8.247 I93H-N 121.823 8.131 Q94H-N 123.952 8.417 S95H-N 117.132 8.338 M98H-N 122.105 8.334 D99H-N 121.037 8.217 A100H-N 124.566 8.171 K101H-N 119.628 8.189 L102H-N 121.701 8.038 E103H-N 120.997 8.27 A104H-N 123.142 8.023 L105H-N 119.89 7.933 K106H-N 121.024 7.996 D107H-N 120.523 8.165 L108H-N 122.571 8.091 A109H-N 123.098 8.184 S110H-N 113.685 7.98 L111H-N 123.213 7.958 S112H-N 116.093 8.137 R113H-N 123.608 8.321 D114H-N 126.647 7.947