Assignment w1 w2 K2H-N 122.297 8.242 T3H-N 118.551 8.257 F4H-N 124.011 8.375 T5H-N 112.355 8.59 R6H-N 122.508 9.281 R6HE-NE 84.672 9.426 C7H-N 112.892 9.152 G8H-N 112.71 8.652 L9H-N 123.516 8.492 V10H-N 119.345 7.852 H11H-N 115.678 8.316 E12H-N 119.971 7.894 L13H-N 120.681 8.924 R14H-N 121.298 8.734 R14HE-NE 86.91 8.549 K15H-N 118.652 7.766 H16H-N 113.109 7.461 G17H-N 106.249 7.758 F18H-N 120.97 7.696 E19H-N 124.144 9.097 E20H-N 126.139 8.992 N21H-N 114.943 9.048 N21HD21-ND2 112.59 7.7 N21HD22-ND2 112.59 6.89 L22H-N 117.394 7.386 M23H-N 123.09 7.885 R24H-N 116.925 8.739 R24HE-NE 84.136 6.952 N25H-N 118.356 7.761 N25HD21-ND2 115.849 7.518 N25HD22-ND2 115.849 7.468 W26H-N 119.467 8.495 W26HE1-NE1 128.095 9.794 V27H-N 118.211 8.724 C28H-N 118.37 7.83 L29H-N 123.146 8.741 V30H-N 119.526 8.699 E31H-N 118.341 8.876 H32H-N 112.55 7.746 E33H-N 117.786 8.226 S34H-N 110.34 8.724 S35H-N 116.174 7.761 R36H-N 104.4 7.123 R36HE-NE 83.291 8.076 D37H-N 118.63 7.032 T38H-N 115.103 8.705 S39H-N 111.825 8.278 K40H-N 122.371 6.718 T41H-N 119.491 8.587 N42H-N 120.754 8.326 N42HD21-ND2 114.687 7.665 N42HD22-ND2 114.687 6.817 T43H-N 119.445 8.645 N44H-N 124.634 8.895 N44HD21-ND2 115.414 7.236 N44HD22-ND2 115.414 7.152 R45H-N 123.231 8.996 R45HE-NE 84.528 7.199 N46H-N 114.098 8.132 N46HD21-ND2 112.222 7.879 N46HD22-ND2 112.222 7.154 G47H-N 108.376 8.121 S48H-N 116.863 7.984 K49H-N 121.692 9.046 D50H-N 118.303 8.519 Y51H-N 117.625 9.13 G52H-N 113.392 9.024 L53H-N 123.415 9.516 F54H-N 108.953 8.743 Q55H-N 116.071 8.175 Q55HE21-NE2 115.705 8.657 Q55HE22-NE2 115.705 5.37 I56H-N 121.104 7.556 N57H-N 127.242 8.484 N57HD21-ND2 116.146 8.532 N57HD22-ND2 116.146 7.338 D58H-N 121.382 8.88 R59H-N 120.463 8.527 R59HE-NE 84.301 7.091 Y60H-N 110.381 7.425 W61H-N 115.834 7.152 W61HE1-NE1 129.293 10.523 C62H-N 111.761 7.546 S63H-N 111.971 8.44 K64H-N 129.572 9.159 G65H-N 109.819 7.98 A66H-N 119.806 8.198 S67H-N 112.83 7.923 G69H-N 106.417 6.641 K70H-N 109.842 8.409 D71H-N 117.727 8.065 C72H-N 112.748 9.153 N73H-N 120.769 8.148 N73HD21-ND2 109.719 7.374 N73HD22-ND2 109.719 6.583 V74H-N 113.55 7.985 K75H-N 128.255 9.278 C76H-N 124.833 9.317 S77H-N 112.906 8.595 D78H-N 122.042 7.398 L79H-N 117.454 7.973 L80H-N 116.47 6.9 T81H-N 109.395 7.198 D82H-N 119.577 8.591 D83H-N 114.416 7.658 I84H-N 120.6 8.667 T85H-N 120.427 8.529 K86H-N 120.363 9.027 A87H-N 123.562 8.382 A88H-N 119.803 9.335 K89H-N 116.905 7.822 C90H-N 117.061 7.638 A91H-N 122.093 8.846 K92H-N 115.119 7.896 K93H-N 123.159 7.526 I94H-N 121.148 8.115 Y95H-N 120.846 8.634 K96H-N 120.876 8.225 R97H-N 114.541 7.251 R97HE-NE 84.202 7.376 H98H-N 114.184 8.472 R99H-N 118.465 8.548 R99HE-NE 84.852 6.98 F100H-N 117.03 7.283 D101H-N 114.789 7.604 A102H-N 117.191 6.843 W103H-N 119.287 8.335 W103HE1-NE1 130.876 10.945 Y104H-N 129.009 9.322 G105H-N 106.647 8.942 W106H-N 119.235 7.272 W106HE1-NE1 131.582 10.222 K107H-N 121.497 8.29 N108H-N 110.611 7.87 N108HD21-ND2 111.892 6.983 N108HD22-ND2 111.892 6.582 H109H-N 110.936 6.994 C110H-N 115.547 7.463 Q111H-N 116.278 8.201 Q111HE21-NE2 113.315 6.201 Q111HE22-NE2 113.315 4.45 G112H-N 110.591 7.955 S113H-N 119.142 8.232 L114H-N 124.431 8.489 D116H-N 122.733 8.574 I117H-N 120.589 9.044 S118H-N 121.736 8.674 S119H-N 115.896 8.354 C120H-N 123.95 7.602