Assignment w1 w2 Y4H-N 118.693 7.733 V5H-N 123.592 8.42 C6H-N 128.449 9.004 I7H-N 128.379 8.658 H8H-N 121.674 8.502 C9H-N 115.764 7.942 Q10H-N 116.329 8.191 Q10HE21-NE2 111.99 6.363 Q10HE22-NE2 111.99 7.092 R11H-N 121.213 7.844 Q12H-N 119.072 7.86 Q12HE21-NE2 111.271 6.637 Q12HE22-NE2 111.271 7.488 F13H-N 119.084 8.888 A14H-N 121.775 8.962 D15H-N 114.226 7.351 G17H-N 110.007 8.254 A18H-N 125.453 8.022 L19H-N 118.428 6.804 Q20H-N 118.513 7.931 R21H-N 116.497 7.727 H22H-N 118.228 7.374 V23H-N 114.222 8.27 R24H-N 118.135 6.764 I25H-N 115.964 7.682 H26H-N 117.871 7.282 T27H-N 112.24 7.534 G28H-N 110.227 8.112 E29H-N 119.771 7.885 K30H-N 120.594 8.075 C32H-N 117.577 8.356 Q33H-N 120.137 8.372 C34H-N 126.003 8.993 V35H-N 129.398 9.01 M36H-N 120.946 8.726 C37H-N 115.594 8.038 G38H-N 113.363 8.119 K39H-N 123.49 7.877 A40H-N 125.467 7.89 F41H-N 117.232 8.342 T42H-N 108.612 8.732 Q43H-N 118.161 7.257 S45H-N 111.824 8.744 S46H-N 118.211 6.932 L47H-N 124.822 7.132 I48H-N 118.672 8.152 A49H-N 120.061 7.237 H50H-N 117.236 7.429 V51H-N 119.094 8.581 R52H-N 118.214 7.397 Q53H-N 116.882 7.525 H54H-N 116.588 7.325 T55H-N 112.615 7.707 G56H-N 111.071 8.22 E57H-N 120.313 7.9 K58H-N 122.691 8.207 Y60H-N 119.458 8.103 V61H-N 123.692 8.236 C62H-N 128.744 8.837 E63H-N 132.308 9.397 R64H-N 120.08 8.73 C65H-N 115.27 8.139 G66H-N 113.667 8.26 K67H-N 123.14 7.954 R68H-N 119.054 7.534 F69H-N 117.359 8.823 V70H-N 119.055 8.59 Q71H-N 113.794 7.489 Q74H-N 121.071 6.631 L75H-N 121.285 6.652 A76H-N 120.443 7.88 N77H-N 115.335 7.443 N77HD21-ND2 112.938 6.87 N77HD22-ND2 112.938 7.546 H78H-N 119.301 7.419 I79H-N 116.732 8.253 R80H-N 119.229 7.295 H81H-N 115.839 7.269 H82H-N 120.912 7.325 D83H-N 127.886 7.96