Assignment w1 w2 C2H-N 127.205 8.044 K3H-N 123.491 8.613 A4H-N 127.045 8.456 T5H-N 113.533 8.251 T6H-N 114.833 8.106 G7H-N 110.975 8.398 D8H-N 120.432 8.221 S9H-N 115.799 8.229 E10H-N 122.407 8.431 F11H-N 119.874 8.08 Y12H-N 121.074 7.929 D13H-N 121.785 8.217 T14H-N 114.267 8.037 Y15H-N 123.407 8.218 S16H-N 117.489 7.981 I17H-N 124.026 8.257 T18H-N 116.619 7.841 A19H-N 123.979 7.992 C20H-N 118.187 7.91 R21H-N 122.562 8.43 R21HE-NE 84.003 7.527 I22H-N 120.054 8.298 D23H-N 123.656 8.229 C24H-N 119.002 8.253 E25H-N 120.321 8.843 T26H-N 116.201 8.309 R27H-N 120.245 8.028 R27HE-NE 85.406 7.362 Y28H-N 119.401 8.375 L29H-N 121.941 8.568 V30H-N 121.489 8.831 E31H-N 119.181 8.333 N32H-N 113.082 7.73 N32HD21-ND2 114.76 6.455 N32HD22-ND2 114.76 6.249 C33H-N 114.622 8.857 N34H-N 116.263 8.114 N34HD21-ND2 111.403 7.345 N34HD22-ND2 111.403 6.726 C35H-N 110.553 7.429 R36H-N 111.841 8.582 R36HE-NE 86.048 7.001 M37H-N 120.452 7.619 V38H-N 115.387 8.163 H39H-N 115.599 7.97 M40H-N 122.422 7.488 G42H-N 104.219 8.034 D43H-N 116.13 7.901 A44H-N 124.141 7.914 Y46H-N 120.15 8.334 C47H-N 122.378 8.969 T48H-N 117.746 9.306 E50H-N 117.918 8.718 Q51H-N 118.976 7.82 Q51HE21-NE2 112.18 7.552 Q51HE22-NE2 112.18 6.881 Y52H-N 121.938 9.091 K53H-N 116.047 7.569 E54H-N 112.912 8.344 C55H-N 115.84 7.895 A56H-N 124.857 8.845 D57H-N 117.94 9.171 A59H-N 120.875 7.797 L60H-N 119.136 8.499 D61H-N 119.2 7.929 F62H-N 120.656 7.909 L63H-N 119.048 7.965 V64H-N 114.909 7.597 E65H-N 119.952 7.755 K66H-N 118.988 8.036 D67H-N 120.707 8.01 N68H-N 117.704 8.116 N68HD21-ND2 113.196 7.388 N68HD22-ND2 113.196 6.48 E69H-N 119.57 8.414 Y70H-N 120.714 8.264 C71H-N 115.97 8.314 V72H-N 124.687 8.365 C73H-N 123.643 8.414 E74H-N 122.025 8.442 M75H-N 122.467 8.477 C77H-N 119.615 8.473 N78H-N 125.577 8.092 N78HD21-ND2 112.702 7.473 N78HD22-ND2 112.702 6.782