Assignment w1 w2 A2H-N 125.03 8.734 S3H-N 115.985 8.409 R4H-N 123.382 8.438 S5H-N 117.593 8.367 I6H-N 122.913 8.207 Q7H-N 124.362 8.409 H8H-N 120.652 8.612 C9H-N 121.201 8.53 N10H-N 122.71 9.143 N10HD21-ND2 112.899 7.67 N10HD22-ND2 112.899 6.847 I11H-N 118.745 7.234 R12H-N 124.715 8.47 C13H-N 124.464 8.626 M14H-N 121.184 8.354 N15H-N 114.675 9.086 N15HD21-ND2 118.637 7.301 N15HD22-ND2 118.637 7.753 G16H-N 107.14 8.775 G17H-N 107.157 7.384 S18H-N 114.637 8.408 C19H-N 123.835 8.906 S20H-N 123.001 8.774 D21H-N 126.098 9.099 D22H-N 115.132 8.165 H23H-N 114.607 7.858 C24H-N 118.195 9.09 L25H-N 126.992 9.287 C26H-N 123.468 8.861 Q27H-N 121.045 8.638 Q27HE21-NE2 112.532 7.379 Q27HE22-NE2 112.532 6.933 K28H-N 121.2 8.402 G29H-N 113.199 8.706 Y30H-N 116.343 7.767 I31H-N 116.464 9.169 G32H-N 106.332 7.879 T33H-N 118.912 8.764 H34H-N 114.399 8.807 C35H-N 113.57 7.937 G36H-N 105.194 8.728 Q37H-N 121.573 8.378 Q37HE21-NE2 112.533 7.701 Q37HE22-NE2 112.533 7.001 V39H-N 120.239 8.119 C40H-N 128.851 8.867 E41H-N 124.981 8.96 S42H-N 113.933 8.606 G43H-N 108.429 7.659 C44H-N 116.02 8.156 L45H-N 123.564 8.445 N46H-N 113.807 8.878 G47H-N 105.23 8.528 G48H-N 107.149 7.574 R49H-N 117.827 8.336 C50H-N 126.289 9.097 V51H-N 122.051 8.599 A52H-N 126.849 8.698 N54H-N 121.383 9.083 N54HD21-ND2 113.311 7.521 N54HD22-ND2 113.311 7.11 R55H-N 121.807 8.415 C56H-N 123.803 8.877 A57H-N 127.289 9.724 C58H-N 123.048 8.871 T59H-N 115.483 8.749 Y60H-N 120.032 8.48 G61H-N 114.388 7.22 F62H-N 115.993 7.596 T63H-N 115.354 9.261 G64H-N 109.218 7.918 Q66H-N 116.278 9.04 Q66HE21-NE2 111.589 6.761 Q66HE22-NE2 111.589 7.335 C67H-N 114.088 8.067 E68H-N 119.078 10.504 R69H-N 124.542 9.001 D70H-N 125.553 8.459 Y71H-N 124.175 8.657 R72H-N 123.536 8.15 T73H-N 110.429 8.315 G74H-N 107.731 8.714 F77H-N 128.437 9.05 T78H-N 116.661 9.287 V79H-N 117.704 7.704 I80H-N 122.67 8.481 S81H-N 121.331 8.755 N82H-N 123.303 8.573 N82HD21-ND2 113.325 7.806 N82HD22-ND2 113.325 6.799 Q83H-N 117.716 7.289 C85H-N 123.478 8.534 Q86H-N 120.569 8.042 Q86HE21-NE2 112.316 6.899 Q86HE22-NE2 112.316 7.672 G87H-N 114.904 8.988 G91H-N 113.365 8.751 I92H-N 113.031 8.015 V93H-N 127.836 8.156 S94H-N 117.952 8.934 T95H-N 113.638 8.61 K96H-N 127.352 8.813 T97H-N 112.77 8.04 L98H-N 119.791 7.179 C99H-N 116.913 7.856 C100H-N 114.558 8.658 A101H-N 119.238 7.717 T102H-N 105.833 7.308 V103H-N 115.353 9.229 G104H-N 108.029 8.569 R105H-N 120.057 9.507 A106H-N 122.977 8.543 W107H-N 121.318 9.206 W107HE1-NE1 128.702 9.517 G108H-N 113.804 8.158 H109H-N 113.884 7.638 C111H-N 119.483 8.08 E112H-N 124.403 9.565 M113H-N 121.945 8.988 C114H-N 123.221 8.358 A116H-N 127.447 8.95 Q117H-N 114.714 7.972 Q117HE21-NE2 111.245 7.45 Q117HE22-NE2 111.245 6.902 H119H-N 119.813 8.055 R122H-N 119.867 8.229 R123H-N 118.084 8.515 G124H-N 109.258 9.335 F125H-N 119.025 8.43 I126H-N 113.398 8.82 N128H-N 124.341 8.885 N128HD21-ND2 114.978 7.937 N128HD22-ND2 114.978 7.105 I129H-N 126.105 8.719 R130H-N 119.385 8.217 T131H-N 106.889 8.041 G132H-N 111.549 8.358 A133H-N 122.442 7.687 C134H-N 120.648 8.765 Q135H-N 124.748 9.177 Q135HE21-NE2 112.418 7.458 Q135HE22-NE2 112.418 7.007 D136H-N 123.495 9.023 V137H-N 125.95 7.647 D138H-N 128.376 8.914 E139H-N 126.923 10.15 C140H-N 110.365 7.197 Q141H-N 116.51 7.154 Q141HE21-NE2 112.441 6.768 Q141HE22-NE2 112.441 7.586 A142H-N 119.876 8.485 I143H-N 116.934 7.624 G145H-N 109.545 8.546 L146H-N 120.477 7.385 N151H-N 118.88 8.539 N151HD21-ND2 111.642 6.878 N151HD22-ND2 111.642 7.487 C152H-N 127.036 8.989 I153H-N 131.982 9.672 N154H-N 126.994 9.293 N154HD22-ND2 121.417 8.085 T155H-N 116.839 7.828 V156H-N 123.998 8.868 G157H-N 121.299 9.101 S158H-N 112.867 6.645 F159H-N 117.788 9.154 E160H-N 120.457 9.784 C161H-N 120.584 8.904 C163H-N 125.309 9.129 A165H-N 122.7 8.446 G166H-N 111.219 8.915 H167H-N 118.261 8.25 K168H-N 120.252 9.01 L169H-N 126.573 8.716 N170H-N 128.264 8.758 N170HD21-ND2 114.153 8.13 N170HD22-ND2 114.153 7.002 E171H-N 126.322 9.242 V172H-N 119.554 8.282 S173H-N 112.104 7.618 Q174H-N 115.797 8.647 K175H-N 114.876 7.495 C176H-N 121.021 8.575 E177H-N 130.305 8.883