Assignment w1 w2 S2H-N 115.293 7.94 C3H-N 117.458 8.432 A4H-N 124.507 7.137 G6H-N 112.67 8.942 W7H-N 122.685 8.459 W7HE1-NE1 130.316 9.789 F8H-N 124.34 9.765 Y9H-N 127.88 8.406 H10H-N 123.978 8.451 K11H-N 129.219 8.854 S12H-N 105.906 6.898 N13H-N 116.308 7.44 N13HD21-ND2 113.187 7.113 N13HD22-ND2 113.187 6.57 C14H-N 116.051 8.657 Y15H-N 120.372 9.742 G16H-N 112.846 8.53 Y17H-N 127.734 8.336 F18H-N 128.521 8.293 R19H-N 126.331 7.885 K20H-N 119.555 6.92 L21H-N 120.244 8.401 R22H-N 126.138 9.231 N23H-N 122.59 9.515 N23HD21-ND2 110.449 7.49 N23HD22-ND2 110.449 6.683 W24H-N 118.328 7.673 W24HE1-NE1 126.203 9.747 S25H-N 110.848 8.45 D26H-N 122.435 8.925 A27H-N 126.225 8.55 E28H-N 118.414 7.532 L29H-N 118.468 7.638 E30H-N 121.811 8.09 C31H-N 118.289 8.873 Q32H-N 116.359 8.219 Q32HE21-NE2 112.649 8.296 Q32HE22-NE2 112.649 6.714 S33H-N 116.665 7.87 Y34H-N 120.5 7.558 G35H-N 106.763 7.682 N36H-N 114.352 8.242 N36HD21-ND2 112.396 6.504 N36HD22-ND2 112.396 6.705 G37H-N 107.175 8.478 A38H-N 121.876 7.408 H39H-N 113.675 8.139 L40H-N 123.645 9.8 A41H-N 122.875 9.226 S42H-N 113.47 6.744 I43H-N 121.063 5.24 L44H-N 120.949 8.561 S45H-N 111.624 7.466 L46H-N 123.128 8.425 K47H-N 119.478 8.145 E48H-N 122.762 7.815 A49H-N 120.845 8.323 S50H-N 112.676 8.877 T51H-N 119.889 7.743 I52H-N 122.412 8.13 A53H-N 122.957 8.716 E54H-N 118.362 7.678 Y55H-N 121.077 7.415 I56H-N 118.342 7.672 S57H-N 113.853 8.057 G58H-N 107.038 7.32 Y59H-N 117.967 8.084 Q60H-N 115.455 8.194 Q60HE22-NE2 110.748 7.281 R61H-N 116.904 8.528 S62H-N 114.299 8.686 Q63H-N 121.728 8.425 Q63HE21-NE2 111.987 7.5 Q63HE22-NE2 111.987 6.847 I65H-N 114.34 7.846 W66H-N 126.519 9.917 W66HE1-NE1 129.808 10.345 I67H-N 111.19 8.258 G68H-N 107.267 9.57 L69H-N 126.483 7.145 H70H-N 120.324 9.307 D71H-N 118.634 7.753 Q73H-N 116.171 8.838 Q73HE21-NE2 111.153 7.471 Q73HE22-NE2 111.153 6.885 K74H-N 114.111 7.39 R75H-N 118.142 7.973 Q76H-N 120.18 9.931 Q76HE21-NE2 112.675 7.508 Q76HE22-NE2 112.675 6.902 Q77H-N 122.196 7.465 Q77HE21-NE2 111.521 7.386 Q77HE22-NE2 111.521 6.798 W78H-N 122.913 7.115 W78HE1-NE1 128.886 9.661 Q79H-N 116.553 8.932 Q79HE21-NE2 112.659 7.416 Q79HE22-NE2 112.659 6.908 W80H-N 124.479 9.191 W80HE1-NE1 128.001 10.525 I81H-N 127.279 9.687 D82H-N 119.224 8.224 G83H-N 107.832 8.066 A84H-N 124.921 8.257 M85H-N 120.063 8.575 Y86H-N 126.474 8.927 L87H-N 131.547 8.861 Y88H-N 123.409 8.525 R89H-N 121.5 7.297 S90H-N 118.028 8.376 W91H-N 123.172 7.983 S92H-N 117.384 9.358 G93H-N 110.44 8.294 K94H-N 121.007 8.151 S95H-N 116.664 8.251 M96H-N 123.128 8.425 G97H-N 109.276 8.268 G98H-N 108.448 8.393 N99H-N 119.184 8.694 N99HD21-ND2 112.377 7.728 N99HD22-ND2 112.377 6.936 K100H-N 120.669 7.264 H101H-N 117.58 8.167 C102H-N 119.085 8.478 A103H-N 123.43 8.239 E104H-N 115.375 8.945 M105H-N 119.184 9.474 S106H-N 118.336 8.735 S107H-N 123.634 8.424 N109H-N 115.977 7.656 N110H-N 124.424 8.766 F111H-N 108.647 7.753 L112H-N 115.334 7.758 T113H-N 118.622 8.378 W114H-N 116.909 7.739 W114HE1-NE1 130.85 11.137 S115H-N 114.463 9.01 S116H-N 119.216 8.992 N117H-N 120.373 9.784 N117HD21-ND2 112.078 7.371 N117HD22-ND2 112.078 6.771 E118H-N 122.293 9.319 C119H-N 122.946 9.087 N120H-N 114.878 8.554 N120HD21-ND2 112.324 7.673 N120HD22-ND2 112.324 7.008 K121H-N 123.944 8.337 R122H-N 122.817 8.563 Q123H-N 121.485 8.901 Q123HE21-NE2 112.27 7.156 Q123HE22-NE2 112.27 6.755 F125H-N 111.228 8.153 L126H-N 121.526 7.72 C127H-N 124.281 9.688 K128H-N 123.962 9.572 Y129H-N 121.478 8.901 R130H-N 124.204 8.862