Assignment w1 w2 E3H-N 120.839 8.611 L4H-N 122.02 8.535 Y5H-N 114.687 7.387 Q6H-N 119.75 8.627 Q6HE21-NE2 112.958 6.78 Q6HE22-NE2 112.958 7.639 L7H-N 124.354 8.647 E8H-N 121.524 9.128 K9H-N 119.432 8.914 E10H-N 117.453 7.591 I12H-N 124.83 9.388 V13H-N 132.145 8.701 G14H-N 114.966 8.853 A15H-N 121.842 7.069 E16H-N 125.846 9.019 T17H-N 121.91 8.619 F18H-N 127.372 9.437 Y19H-N 124.902 9.281 V20H-N 115.67 8.447 D21H-N 119.918 8.701 G22H-N 108.624 8.405 A23H-N 124.138 8.711 A24H-N 120.391 8.496 N25H-N 121.344 8.656 N25HD21-ND2 113.867 7.351 N25HD22-ND2 113.867 7.883 R26H-N 127.65 9.146 E27H-N 117.775 8.477 T28H-N 108.051 8.114 K29H-N 115.778 8.163 L30H-N 118.714 7.513 G31H-N 109.358 8.878 K32H-N 118.965 8.981 A33H-N 121.431 8.541 G34H-N 106.34 8.769 Y35H-N 111.364 8.544 V36H-N 115.402 8.718 T37H-N 114.855 8.999 N38H-N 119.288 9.116 N38HD21-ND2 114.861 7.357 N38HD22-ND2 114.861 7.831 R39H-N 118.279 8.176 G40H-N 107.704 7.932 R41H-N 118.036 7.263 Q42H-N 117.857 8.559 Q42HE21-NE2 111.025 6.702 Q42HE22-NE2 111.025 7.429 K43H-N 123.236 7.84 V44H-N 123.202 8.216 V45H-N 123.688 9.294 T46H-N 118.21 8.463 L47H-N 127.849 8.981 T48H-N 111.619 8.17 D49H-N 122.122 8.632 T50H-N 114.855 8.999 T51H-N 109.331 8.257 N52H-N 121.954 9.252 N52HD21-ND2 113.949 6.987 N52HD22-ND2 113.949 7.796 Q53H-N 118.514 8.595 Q53HE21-NE2 111.299 6.673 Q53HE22-NE2 111.299 7.044 K54H-N 117.066 7.485 T55H-N 111.525 8.315 E56H-N 121.851 7.817 L57H-N 118.064 7.614 Q58H-N 120.614 8.982 Q58HE21-NE2 108.646 6.743 Q58HE22-NE2 108.646 6.833 A59H-N 120.869 8.057 I60H-N 115.417 7.014 Y61H-N 119.786 8.265 L62H-N 118.748 8.572 A63H-N 118.017 7.346 L64H-N 117.052 7.83 Q65H-N 117.95 8.291 Q65HE21-NE2 110.738 6.565 Q65HE22-NE2 110.738 6.745 D66H-N 115.772 7.515 S67H-N 113.277 7.113 G68H-N 105.154 8.375 L69H-N 118.115 8.412 E70H-N 115.718 7.648 V71H-N 119.663 8.137 N72H-N 123.22 7.957 N72HD21-ND2 112.434 6.346 N72HD22-ND2 112.434 7.226 I73H-N 125.081 9.789 V74H-N 126.872 9.019 T75H-N 121.194 8.92 D76H-N 123.89 8.42 S77H-N 116.808 8.739 Q78H-N 130.322 8.95 Q78HE21-NE2 111.014 6.489 Q78HE22-NE2 111.014 6.489 Y79H-N 120.788 8.374 A80H-N 121.498 8.442 L81H-N 115.535 7.476 G82H-N 104.832 7.923 I83H-N 120.933 7.399 I84H-N 118.021 7.479 Q85H-N 117.613 8.331 Q85HE21-NE2 111.107 6.799 Q85HE22-NE2 111.107 7.304 A86H-N 120.711 7.446 Q87H-N 115.06 7.953 Q87HE21-NE2 110.545 6.811 Q87HE22-NE2 110.545 7.264 D89H-N 119.388 8.412 Q90H-N 118.699 8.202 Q90HE21-NE2 112.47 6.814 Q90HE22-NE2 112.47 7.571 S91H-N 116.034 8.58 E92H-N 123.184 8.509 S93H-N 114.606 8.125 E94H-N 128.227 8.883 L95H-N 120.217 7.889 V96H-N 118.36 7.623 N97H-N 117.339 7.977 N97HD21-ND2 112.989 6.972 N97HD22-ND2 112.989 7.395 Q98H-N 120.116 8.215 Q98HE21-NE2 109.495 6.502 Q98HE22-NE2 109.495 6.952 I99H-N 121.907 8.12 I100H-N 121.431 8.541 E101H-N 117.083 7.98 Q102H-N 114.861 7.5 Q102HE21-NE2 111.771 6.814 Q102HE22-NE2 111.771 7.511 L103H-N 121.162 8.495 I104H-N 115.06 7.953 K105H-N 116.999 7.04 K106H-N 116.69 7.252 E107H-N 121.524 9.128 K108H-N 115.198 7.773 V109H-N 121.524 9.128 Y110H-N 129.603 8.538 L111H-N 129.031 8.035 A112H-N 125.283 8.611 W113H-N 120.788 8.374 W113HE1-NE1 128.948 9.344 V114H-N 124.823 7.769 A116H-N 120.711 7.446 H117H-N 116.347 7.385 K118H-N 120.513 8.197 G119H-N 110.135 8.495 I120H-N 119.972 7.991 G121H-N 112.657 8.539 G122H-N 109.209 8.504 N123H-N 118.733 8.442 E124H-N 121.146 8.589 V126H-N 122.951 8.234 D127H-N 123.334 8.345 K128H-N 121.447 8.179 L129H-N 122.375 8.21 V130H-N 120.869 8.057 S131H-N 118.693 8.28 A132H-N 125.748 8.26 G133H-N 107.619 8.275 I134H-N 119.837 7.915 R135H-N 121.256 8.308 K136H-N 123.334 8.341 V137H-N 122.767 8.219 L138H-N 131.404 7.926