Assignment w1 w2 L2H-N 124.364 8.494 I3H-N 130.774 10.676 L4H-N 122.204 8.587 T5H-N 119.94 9.161 R6H-N 126.862 9.619 K7H-N 123.703 9.45 V8H-N 118.617 7.741 G9H-N 116.069 9.269 E10H-N 119.364 8.426 S11H-N 112.51 8.672 I12H-N 124.592 9.265 N13H-N 126.127 9.318 N13HD21-ND2 107.471 5.722 N13HD22-ND2 107.471 6.438 I14H-N 123.984 8.392 G15H-N 115.533 9.148 D16H-N 121.039 8.809 D17H-N 115.538 8.14 I18H-N 118.702 7.183 T19H-N 122.806 8.993 I20H-N 123.302 8.918 T21H-N 123.751 9.398 I22H-N 125.736 8.053 L23H-N 129.499 8.89 G24H-N 104.858 7.565 V25H-N 120.794 8.477 S26H-N 122.022 8.619 G27H-N 118.775 8.969 Q28H-N 124.39 8.761 Q28HE21-NE2 113.834 6.875 Q28HE22-NE2 113.834 7.652 Q29H-N 116.885 8.307 Q29HE21-NE2 111.66 7.184 Q29HE22-NE2 111.66 7.315 V30H-N 123.399 9.103 R31H-N 128.722 8.75 R31HE-NE 84.827 7.449 I32H-N 127.76 9.069 G33H-N 112.098 9.075 I34H-N 124.988 9.654 N35H-N 129.566 9.013 N35HD21-ND2 112.754 6.773 N35HD22-ND2 112.754 7.311 A36H-N 125.469 8.205 K38H-N 121.088 8.581 D39H-N 113.879 8.164 V40H-N 122.755 8.053 A41H-N 133.718 8.927 V42H-N 125.374 7.899 H43H-N 118.709 8.58 R44H-N 121.721 8.396 E45H-N 126.002 7.892 E46H-N 118.201 10.804 I47H-N 122.295 7.177 Y48H-N 122.359 7.949 Q49H-N 115.099 8.597 Q49HE21-NE2 111.1 6.747 Q49HE22-NE2 111.1 7.457 R50H-N 120.635 7.134 I51H-N 120.637 7.694 Q52H-N 118.7 7.91 Q52HE21-NE2 113.275 6.247 Q52HE22-NE2 113.275 6.788 A53H-N 120.01 7.554 G54H-N 105.898 7.692 L55H-N 120.793 7.669 T56H-N 114.129 7.928 A57H-N 127.28 8.11 D59H-N 119.739 8.239 K60H-N 122.003 8.101 R61H-N 121.843 8.188 E62H-N 121.766 8.323 T63H-N 117.672 8.154