Assignment w1 w2 S2H-N 121.203 7.959 K4H-N 125.7 8.357 V6H-N 119.493 8.142 I8H-N 121.452 8.537 I9H-N 129.037 9.249 Y10H-N 123.05 9.017 C11H-N 121.419 9.004 N12H-N 122.734 8.178 N12HD21-ND2 113.79 6.851 N12HD22-ND2 113.79 8.098 R13H-N 125.958 8.589 R14H-N 117.3 8.195 T15H-N 107.103 8.165 G16H-N 111.16 8.287 K17H-N 119.099 7.647 Q19H-N 120.195 8.896 Q19HE21-NE2 111.685 6.745 Q19HE22-NE2 111.685 7.388 R20H-N 121.386 8.375 M21H-N 131.01 9.104 D4H-N 123.788 8.44 T5H-N 102.504 7.527 D6H-N 118.809 7.388 Q7H-N 119.893 7.536 I9H-N 122.456 8.447 H10H-N 127.524 9.252 I11H-N 125.022 8.965 E12H-N 127.799 8.631 S13H-N 114.57 7.855 D14H-N 121.346 8.622 Q15H-N 115.443 8.514 S17H-N 116.099 8.456 L18H-N 127.493 8.665 D19H-N 122.723 8.48 Q21H-N 115.757 8.535 G22H-N 105.735 7.807 N23H-N 115.569 7.984 V24H-N 118.527 7.566 V25H-N 127.28 8.776 T26H-N 121.514 8.279 F27H-N 128.049 10.031 T28H-N 112.944 8.354 G29H-N 110.721 8.206 N30H-N 124.661 9.547 N30HD21-ND2 112.146 7.702 V31H-N 120.591 8.432 I32H-N 128.021 8.77 V33H-N 130.515 9.399 T34H-N 119.898 9.657 Q35H-N 124.825 8.543 Q35HE21-NE2 108.277 6.212 Q35HE22-NE2 108.277 7.726 G36H-N 116.566 9.167 T37H-N 120.499 9.535 I38H-N 123.27 8.187 K39H-N 128.495 9.13 I40H-N 128.47 9.536 N41H-N 125.116 8.267 A42H-N 122.939 8.641 D43H-N 118.847 8.389 K44H-N 119.257 7.976 V45H-N 127.35 9.729 V46H-N 128.804 9.789 V47H-N 129.93 9.48 T48H-N 122.001 8.825 R49H-N 126.694 8.985 G52H-N 107.222 8.181 E53H-N 121.165 7.253 Q54H-N 126.398 8.49 G55H-N 114.391 9.43 K56H-N 117.48 7.109 E57H-N 117.22 8.701 V58H-N 119.306 8.605 I59H-N 125.057 8.612 D60H-N 127.488 9.167 G61H-N 107.966 9.54 Y62H-N 120.716 9.205 G63H-N 111.097 8.79 K64H-N 119.111 8.693 A66H-N 120.058 8.478 T67H-N 108.912 8.891 F68H-N 121.216 8.755 Y69H-N 131.466 7.713 Q70H-N 123.173 7.704 M71H-N 124.352 7.735 Q72H-N 124.954 7.833 G75H-N 106.933 8.03 K76H-N 120.809 7.698 V78H-N 120.977 8.585 E79H-N 121.836 8.157 G80H-N 109.16 9.275 H81H-N 116.868 9.02 A82H-N 118.227 8.686 S83H-N 117.172 9.159 Q84H-N 118.473 8.62 M85H-N 120.879 8.96 H86H-N 123.772 8.883 Y87H-N 130.469 9.711 E88H-N 127.697 8.414 L89H-N 126.05 7.21 A90H-N 117.997 9.497 D92H-N 114.646 7.741 F93H-N 112.848 7.375 V94H-N 122.786 9.139 V95H-N 125.811 9.32 L96H-N 133.6 9.642 T97H-N 115.753 8.929 G98H-N 113.529 8.738 N99H-N 123.922 9.455 A100H-N 119.565 7.507 Y101H-N 122.783 8.566 L102H-N 125.76 8.238 Q103H-N 124.288 9.154 Q104H-N 122.563 8.434 V105H-N 121.871 9.131 D106H-N 118.874 8.381 S107H-N 113.654 7.544 N108H-N 119.369 8.453 I109H-N 119.897 8.604 K110H-N 121.895 7.976 G111H-N 107.898 8.213 K113H-N 117.724 7.606 I114H-N 126.06 9.133 T115H-N 121.458 8.728 Y116H-N 126.922 9.251