Assignment w1 w2 V6H-N 120.959 7.776 F7H-N 120.255 7.921 G8H-N 111.528 8.869 A9H-N 125.899 8.551 G10H-N 105.59 9.231 C11H-N 119.992 7.254 T12H-N 113.516 7.271 D13H-N 119.466 8.839 T14H-N 114.184 7.495 C15H-N 126.262 7.249 K16H-N 112.193 6.663 Q17H-N 119.135 7.0 Q17HE21-NE2 110.877 6.869 Q17HE22-NE2 110.877 7.446 T18H-N 113.13 8.207 C20H-N 120.228 8.207 G21H-N 116.147 8.146 C22H-N 124.649 9.135 G23H-N 107.353 8.65 G25H-N 111.711 8.283 C26H-N 121.927 7.595 N27H-N 129.802 9.3 N27HD21-ND2 112.174 6.848 N27HD22-ND2 112.174 7.451 C28H-N 121.925 9.105 K29H-N 119.483 8.262 E30H-N 119.78 8.915 D31H-N 115.539 7.931 C32H-N 122.633 7.098 R33H-N 129.241 8.308 C34H-N 129.017 9.265 Q35H-N 127.952 9.076 Q35HE21-NE2 113.574 6.668 Q35HE22-NE2 113.574 6.919 S36H-N 115.703 9.033 C37H-N 113.838 7.567 K38H-N 123.234 7.873 Y39H-N 112.772 7.142 G40H-N 109.553 8.733 A41H-N 126.088 8.456 G42H-N 108.467 9.878 C43H-N 119.713 7.269 T44H-N 113.196 7.031 D45H-N 118.992 8.763 V46H-N 117.743 7.074 C47H-N 125.52 7.474 K48H-N 112.497 6.835 Q49H-N 119.457 7.088 Q49HE21-NE2 110.365 6.824 Q49HE22-NE2 110.365 7.468 T50H-N 113.106 8.174 C52H-N 120.388 8.251 G53H-N 116.675 8.339 C54H-N 126.81 9.435 A55H-N 119.799 7.906 T56H-N 109.042 7.466 S57H-N 113.839 7.706 G58H-N 113.177 7.933 C59H-N 123.1 8.415 N60H-N 130.074 9.316 N60HD21-ND2 113.502 6.935 N60HD22-ND2 113.502 7.594 C61H-N 121.703 8.869 T62H-N 113.65 8.731 D63H-N 114.819 8.008 D64H-N 115.066 7.436 C65H-N 122.895 7.351 K66H-N 126.883 7.511 C67H-N 129.281 9.658 Q68H-N 129.299 9.456 Q68HE21-NE2 112.346 6.886 Q68HE22-NE2 112.346 7.531 S69H-N 117.248 9.338 C70H-N 113.534 7.478 S71H-N 118.099 7.2 T72H-N 117.04 8.662 A73H-N 125.998 8.056 C74H-N 123.103 8.429 K75H-N 128.045 9.589 C76H-N 126.69 9.263 A77H-N 119.917 7.333 A78H-N 120.868 8.359 G79H-N 109.117 8.538 S80H-N 115.783 8.244 C81H-N 126.961 8.634 K82H-N 135.349 10.533 C83H-N 119.658 8.633 G84H-N 116.756 8.579 K85H-N 120.142 8.148 G86H-N 113.681 9.524 C87H-N 118.056 7.564 T88H-N 112.844 8.432 G89H-N 110.219 6.885 D91H-N 113.049 8.397 S92H-N 110.618 7.94 C93H-N 125.502 7.159 K94H-N 130.379 9.636 C95H-N 125.05 9.355 D96H-N 119.251 8.22 R97H-N 112.116 7.245 S98H-N 114.09 8.59 C99H-N 124.369 7.205 S100H-N 124.061 8.417 C101H-N 118.25 7.428 K102H-N 125.753 7.051