Assignment w1 w2 A2H-N 126.662 8.447 M3H-N 119.443 8.054 D5H-N 122.206 8.478 V6H-N 120.253 8.154 V7H-N 123.806 8.205 D8H-N 122.257 8.399 K9H-N 124.852 8.384 C10H-N 119.417 8.466 S11H-N 117.982 8.397 T12H-N 115.629 8.201 K13H-N 123.371 8.302 G14H-N 110.13 8.453 C15H-N 118.713 8.204 I17H-N 119.278 8.05 D18H-N 124.364 8.38 I19H-N 121.241 8.155 G20H-N 111.571 8.503 T21H-N 114.418 7.978 V22H-N 123.899 8.248 I23H-N 125.102 8.297 D24H-N 124.624 8.419 N25H-N 119.417 8.468 N25HD21-ND2 112.788 7.647 N25HD22-ND2 112.788 6.904 D26H-N 120.597 8.487 N27H-N 118.312 8.265 N27HD21-ND2 113.261 7.697 N27HD22-ND2 113.261 7.014 C28H-N 117.18 8.366 T29H-N 117.567 7.958 S30H-N 124.142 9.569 K31H-N 127.147 9.003 F32H-N 122.836 9.097 S33H-N 120.375 7.987 R34H-N 122.781 8.46 F35H-N 121.785 8.177 F36H-N 117.196 9.074 A37H-N 121.954 9.25 T38H-N 100.389 7.133 R39H-N 122.865 9.324 R39HE-NE 84.11 7.887 E40H-N 118.491 9.055 E41H-N 119.891 7.811 A42H-N 122.745 7.337 E43H-N 117.502 8.597 S44H-N 115.611 8.108 F45H-N 124.364 7.942 M46H-N 117.643 8.299 T47H-N 117.05 8.197 K48H-N 121.757 7.179 L49H-N 119.215 8.14 K50H-N 118.564 8.79 E51H-N 120.362 7.655 L52H-N 120.836 8.028 A53H-N 124.337 8.992 A54H-N 120.79 8.063 A55H-N 118.944 7.771 A56H-N 119.021 7.53 S57H-N 109.994 7.481 S58H-N 120.025 8.852 A59H-N 125.532 8.399 D60H-N 120.961 8.579 E61H-N 118.491 8.496 G62H-N 108.112 7.966 A63H-N 122.645 7.953 S64H-N 115.629 8.213 V65H-N 125.224 8.541 A66H-N 130.508 8.416 Y67H-N 118.467 8.737 K68H-N 119.373 8.939 I69H-N 122.86 8.662 K70H-N 128.941 9.293 D71H-N 124.578 8.762 L72H-N 126.126 8.332 E73H-N 120.74 8.432 G74H-N 114.244 8.867 Q75H-N 114.474 7.48 Q75HE21-NE2 109.032 7.041 Q75HE22-NE2 109.032 6.123 V76H-N 112.315 9.19 E77H-N 122.444 9.113 L78H-N 128.748 9.167 D79H-N 126.517 8.778 A80H-N 126.025 9.31 A81H-N 123.63 8.902 F82H-N 123.168 9.242 T83H-N 120.394 8.935 F84H-N 126.548 8.72 S85H-N 115.162 9.188 C86H-N 111.32 7.696 Q87H-N 122.997 9.137 Q87HE21-NE2 111.841 7.617 Q87HE22-NE2 111.841 6.95 A88H-N 119.891 8.734 E89H-N 115.156 7.023 M90H-N 118.706 6.749 I91H-N 118.944 8.333 I92H-N 120.412 7.414 F93H-N 120.836 7.963 E94H-N 119.891 8.936 L95H-N 120.807 8.488 S96H-N 117.559 8.039 L97H-N 123.691 7.742 R98H-N 118.541 7.694 S99H-N 113.012 7.707 L100H-N 122.058 7.517 A101H-N 121.922 8.036 L102H-N 119.372 7.917 E103H-N 120.281 8.185