Assignment w1 w2 S2H-N 115.639 8.718 G3H-N 110.824 8.536 Y4H-N 120.18 8.201 T5H-N 116.883 8.08 N6H-N 120.538 8.124 N6HD21-ND2 112.339 7.591 N6HD22-ND2 112.339 6.914 Y7H-N 121.884 8.222 N8H-N 115.02 8.119 N8HD21-ND2 116.929 7.329 N8HD22-ND2 116.929 7.119 N9H-N 120.654 7.912 N9HD21-ND2 112.175 7.591 N9HD22-ND2 112.175 6.954 G10H-N 112.753 8.748 S11H-N 114.008 7.835 N12H-N 121.772 8.727 N12HD21-ND2 112.772 7.463 N12HD22-ND2 112.772 6.888 Y13H-N 120.465 8.446 T14H-N 112.92 7.937 Q15H-N 120.844 8.117 Q15HE21-NE2 112.35 7.52 Q15HE22-NE2 112.35 6.868 K16H-N 120.758 8.108 K17H-N 121.649 8.262 Q18H-N 121.248 8.371 Q18HE21-NE2 112.046 7.507 Q18HE22-NE2 112.046 6.842 T19H-N 116.29 8.265 I20H-N 123.256 8.199 G21H-N 112.575 8.392 L22H-N 122.337 8.207 Q25H-N 116.728 8.585 Q25HE21-NE2 112.085 7.673 Q25HE22-NE2 112.085 7.007 V26H-N 118.715 7.774 N27H-N 125.143 8.439 N27HD21-ND2 113.942 7.893 N27HD22-ND2 113.942 7.186 Q29H-N 117.873 8.142 Q29HE21-NE2 112.45 7.594 Q29HE22-NE2 112.45 6.929 A30H-N 123.457 7.74 V31H-N 117.567 7.652 D32H-N 119.978 8.051 H33H-N 114.874 7.809 I34H-N 119.871 7.948 I35H-N 123.975 9.341 R36H-N 115.889 7.668 R36HE-NE 85.994 7.593 S37H-N 114.356 7.932 A38H-N 122.218 7.309 R41H-N 111.387 7.542 R41HE-NE 84.635 7.391 V42H-N 120.225 7.831 T43H-N 119.936 9.463 T44H-N 119.742 7.14 A45H-N 122.943 9.463 I47H-N 126.49 7.683 G48H-N 112.197 9.094 N49H-N 115.38 8.636 N49HD21-ND2 111.73 8.171 N49HD22-ND2 111.73 6.969 I50H-N 116.224 8.271 H52H-N 121.619 9.101 F53H-N 111.422 7.098 A54H-N 124.179 7.201 T55H-N 113.239 9.176 E56H-N 121.324 9.235 A57H-N 119.173 8.017 D58H-N 114.101 7.409 L59H-N 118.354 7.555 I60H-N 118.047 8.133 L62H-N 115.403 6.515 F63H-N 116.001 7.272 Q64H-N 121.206 8.541 Q64HE21-NE2 110.099 7.441 Q64HE22-NE2 110.099 6.542 N65H-N 112.182 6.935 N65HD21-ND2 115.301 7.261 N65HD22-ND2 115.301 7.05 F66H-N 113.001 6.707 G67H-N 102.628 6.844 F68H-N 119.552 7.482 I69H-N 128.54 8.819 L70H-N 127.267 9.268 D71H-N 116.044 7.684 F72H-N 124.984 8.066 K73H-N 126.731 7.94 H74H-N 124.931 8.553 Y75H-N 126.51 8.54 E77H-N 116.256 9.36 K78H-N 116.164 7.336 G79H-N 109.023 7.921 C80H-N 110.168 7.604 C81H-N 116.305 9.069 F82H-N 117.345 8.608 I83H-N 123.794 9.043 K84H-N 128.679 8.613 Y85H-N 126.983 8.899 D86H-N 119.367 8.678 T87H-N 104.948 7.317 H88H-N 121.465 9.243 E89H-N 118.044 8.93 Q90H-N 118.802 7.622 Q90HE21-NE2 109.002 7.203 Q90HE22-NE2 109.002 7.65 A91H-N 116.921 6.84 A92H-N 117.908 7.8 V93H-N 117.148 8.023 C94H-N 119.224 7.309 I95H-N 116.856 7.748 V96H-N 118.298 7.745 A97H-N 121.574 8.937 L98H-N 111.144 7.695 A99H-N 123.961 6.83 N100H-N 123.662 8.748 N100HD21-ND2 113.548 7.653 N100HD22-ND2 113.548 6.964 F101H-N 124.281 7.999 F103H-N 127.634 9.244 Q104H-N 122.38 8.719 Q104HE21-NE2 107.551 6.742 Q104HE22-NE2 107.551 6.399 G105H-N 102.402 8.273 R106H-N 120.238 7.907 R106HE-NE 84.091 6.949 N107H-N 118.766 8.269 N107HD21-ND2 110.067 7.127 N107HD22-ND2 110.067 6.852 L108H-N 125.631 9.259 R109H-N 119.238 7.96 R109HE-NE 84.907 7.318 T110H-N 110.738 8.523 G111H-N 104.849 8.453 W112H-N 120.372 8.795 W112HE1-NE1 127.332 9.704 G113H-N 109.593 8.904 K114H-N 119.09 7.934 E115H-N 122.006 8.57 R116H-N 125.696 7.903 R116HE-NE 84.882 7.142