Assignment w1 w2 S3H-N 115.515 8.315 H4H-N 121.018 8.427 M5H-N 121.229 8.293 S6H-N 116.57 8.32 T7H-N 115.298 8.097 Q8H-N 121.614 8.143 Q8HE21-NE2 112.096 7.367 Q8HE22-NE2 112.096 6.733 Y9H-N 120.797 8.105 I10H-N 121.84 7.835 D11H-N 123.462 8.122 E12H-N 121.34 8.559 T13H-N 111.888 8.18 A14H-N 125.994 7.834 F15H-N 116.76 7.793 V16H-N 115.943 8.449 Q17H-N 120.629 8.348 Q17HE21-NE2 111.165 7.468 Q17HE22-NE2 111.165 6.685 A18H-N 127.205 8.628 E19H-N 121.24 8.631 Q20H-N 120.445 8.529 Q20HE21-NE2 112.082 7.522 Q20HE22-NE2 112.082 6.773 G21H-N 112.541 8.703 K22H-N 119.819 7.922 T23H-N 110.564 8.661 N24H-N 113.471 7.419 N24HD21-ND2 115.507 7.39 N24HD22-ND2 115.507 6.699 L25H-N 117.769 7.547 M26H-N 122.426 8.099 F27H-N 124.886 8.106 S28H-N 116.897 8.874 D29H-N 121.276 7.216 E30H-N 126.55 8.964 K31H-N 121.219 8.109 Q32H-N 123.696 7.755 Q32HE21-NE2 114.696 6.949 Q32HE22-NE2 114.696 6.706 Q33H-N 116.886 8.253 Q33HE21-NE2 110.301 9.025 Q33HE22-NE2 110.301 6.939 A34H-N 120.357 7.932 R35H-N 119.381 8.031 F36H-N 119.781 7.944 E37H-N 117.551 8.371 L38H-N 120.84 7.68 G39H-N 107.664 8.394 V40H-N 119.84 8.356 S41H-N 111.395 7.305 M42H-N 114.783 8.185 V43H-N 119.59 8.032 I44H-N 121.217 8.267 Y45H-N 119.836 8.681 K46H-N 117.143 7.537 W47H-N 120.601 7.613 W47HE1-NE1 128.526 10.327 D48H-N 134.6 9.246 A49H-N 119.368 7.64 L50H-N 114.516 5.119 D51H-N 120.919 7.604 V52H-N 117.171 8.107 A53H-N 121.796 6.527 V54H-N 117.178 7.914 E55H-N 121.321 8.645 N56H-N 113.495 7.339 N56HD21-ND2 115.069 6.98 N56HD22-ND2 115.069 6.547 S57H-N 113.104 7.942 W58H-N 120.509 9.143 W58HE1-NE1 128.235 10.172 G59H-N 104.628 7.787 G60H-N 105.984 7.463 D62H-N 116.995 8.728 S63H-N 115.109 7.528 A64H-N 122.635 8.892 E65H-N 120.789 8.132 K66H-N 119.514 7.933 R67H-N 118.633 7.509 R67HE-NE 81.738 7.43 D68H-N 118.382 7.147 W69H-N 123.91 8.474 W69HE1-NE1 129.113 10.124 I70H-N 120.775 8.052 T71H-N 116.117 7.83 G72H-N 106.199 7.527 I73H-N 119.844 7.726 V74H-N 121.047 7.623 V75H-N 119.626 8.482 D76H-N 119.128 8.506 L77H-N 120.162 7.609 F78H-N 113.292 7.269 K79H-N 114.302 7.359 N80H-N 112.652 7.466 N80HD21-ND2 114.731 7.723 N80HD22-ND2 114.731 6.903 E81H-N 118.462 7.599 K82H-N 114.52 8.28 V83H-N 117.175 7.206 V84H-N 124.474 7.996 D85H-N 122.241 7.067 A86H-N 120.885 8.366 A87H-N 118.797 7.97 L88H-N 120.54 8.035 I89H-N 120.241 7.582 E90H-N 120.659 8.873 E91H-N 117.067 8.278 T92H-N 115.933 7.684 L93H-N 121.667 8.331 L94H-N 118.184 8.449 Y95H-N 118.776 8.536 A96H-N 121.644 8.114 M97H-N 115.884 8.006 I98H-N 122.089 7.569 D99H-N 120.304 8.606 E100H-N 111.948 8.661 F101H-N 112.469 7.252 E102H-N 118.607 7.586 T103H-N 113.815 7.634 N104H-N 124.39 8.485 N104HD21-ND2 112.093 7.459 N104HD22-ND2 112.093 6.696 V105H-N 125.338 8.361 E106H-N 126.923 8.897 D107H-N 119.141 7.655 D108H-N 115.607 8.547 S109H-N 111.387 7.965 A110H-N 123.784 8.738 L111H-N 120.015 7.633 I113H-N 116.702 6.167 A114H-N 121.86 7.742 V115H-N 115.261 8.192 E116H-N 119.901 7.662 V117H-N 119.802 8.184 I118H-N 119.6 7.438 N119H-N 118.508 8.361 N119HD21-ND2 111.73 7.485 N119HD22-ND2 111.73 6.836 I120H-N 121.262 8.538 Y121H-N 124.11 8.609 N122H-N 117.767 8.408 N122HD21-ND2 112.084 7.584 N122HD22-ND2 112.084 6.839 D123H-N 121.368 8.496 C124H-N 117.706 8.409 F125H-N 124.845 9.229 N126H-N 114.85 7.394 N126HD21-ND2 114.647 7.579 N126HD22-ND2 114.647 7.03 L127H-N 115.933 7.646 N128H-N 115.963 7.88 N128HD21-ND2 110.661 7.463 N128HD22-ND2 110.661 6.646 Y129H-N 121.242 8.242 N130H-N 118.772 8.098 N130HD21-ND2 112.938 7.593 N130HD22-ND2 112.938 6.924 K131H-N 120.653 8.824 V132H-N 117.979 7.24 E133H-N 116.188 8.082 K134H-N 120.022 7.896 L135H-N 118.244 8.397 Y136H-N 120.803 8.346 L137H-N 120.546 8.236 E138H-N 119.017 8.094 W139H-N 123.284 8.391 W139HE1-NE1 127.531 8.311 Q140H-N 118.165 8.581 Q140HE21-NE2 111.112 6.69 Q140HE22-NE2 111.112 6.181 E141H-N 118.992 7.656 K142H-N 120.831 7.754 Q143H-N 116.571 7.86 Q143HE21-NE2 112.188 6.619 Q143HE22-NE2 112.188 6.117 R144H-N 117.983 7.497 T145H-N 111.083 7.622 K146H-N 122.228 7.571 K147H-N 120.299 8.003 S148H-N 115.515 7.972 K149H-N 122.439 8.098 R150H-N 121.66 8.061 V151H-N 122.439 8.126 V152H-N 124.448 8.141 H153H-N 123.897 8.462 I154H-N 123.843 8.122 E155H-N 125.217 8.418 G156H-N 116.165 7.902