Assignment w1 w2 S3H-N 116.078 8.48 V16H-N 121.886 7.48 Q4H-N 122.078 8.52 Q4HE21-NE2 112.601 7.557 Q4HE22-NE2 112.601 6.861 H5H-N 120.104 8.291 M6H-N 121.858 8.359 R7H-N 123.476 8.606 R7HH11-NH1 70.8 6.225 R7HH12-NH1 70.8 6.225 R7HE-NE 85.154 9.273 R9H-N 118.123 8.302 R9HE-NE 84.121 7.718 F10H-N 120.188 8.083 N11H-N 125.581 5.565 N11HD21-ND2 112.605 7.526 N11HD22-ND2 112.605 7.059 R12H-N 122.797 8.456 R12HE-NE 85.484 8.136 E13H-N 117.269 8.199 N14H-N 117.164 7.784 N14HD21-ND2 110.635 7.516 N14HD22-ND2 110.635 6.828 K15H-N 116.437 7.38 S17H-N 125.096 9.238 A19H-N 116.669 8.069 D20H-N 118.091 7.316 A21H-N 123.215 8.22 A22H-N 119.138 8.551 K23H-N 116.516 7.267 K24H-N 116.437 7.19 A25H-N 119.756 7.697 L26H-N 122.944 7.225 S3H-N 115.801 8.411 H4H-N 121.16 8.547 M5H-N 121.575 8.381 S6H-N 117.001 8.438 T7H-N 115.814 8.226 Q8H-N 122.122 8.278 Q8HE21-NE2 112.607 7.498 Q8HE22-NE2 112.607 6.863 Y9H-N 121.374 8.251 I10H-N 122.385 7.982 D11H-N 123.96 8.244 E12H-N 121.771 8.693 T13H-N 112.486 8.307 A14H-N 126.472 7.97 F15H-N 117.13 7.915 V16H-N 116.43 8.57 Q17H-N 121.168 8.486 Q17HE21-NE2 111.665 7.602 Q17HE22-NE2 111.665 6.813 A18H-N 127.712 8.776 E19H-N 121.785 8.754 Q20H-N 120.932 8.667 Q20HE21-NE2 112.566 7.657 Q20HE22-NE2 112.566 6.906 G21H-N 113.012 8.833 K22H-N 120.29 8.049 T23H-N 111.087 8.802 N24H-N 113.799 7.541 N24HD21-ND2 116.019 7.513 N24HD22-ND2 116.019 6.82 L25H-N 118.229 7.704 M26H-N 123.009 8.228 F27H-N 125.576 8.201 S28H-N 117.522 8.987 D29H-N 121.92 7.395 E30H-N 126.837 9.075 K31H-N 121.417 8.234 Q32H-N 123.922 7.953 Q32HE21-NE2 115.308 6.946 Q32HE22-NE2 115.308 6.879 Q33H-N 117.043 8.447 Q33HE21-NE2 110.654 9.192 Q33HE22-NE2 110.654 7.029 A34H-N 120.73 8.041 R35H-N 119.025 8.285 R35HE-NE 85.471 7.076 F36H-N 120.301 8.048 E37H-N 119.043 8.407 L38H-N 117.397 8.108 G39H-N 107.725 8.425 V40H-N 120.812 8.6 S41H-N 112.746 7.864 M42H-N 114.876 8.256 V43H-N 120.938 8.139 I44H-N 122.218 8.59 Y45H-N 119.969 8.777 K46H-N 118.849 7.833 W47H-N 120.411 7.65 W47HE1-NE1 129.084 10.482 D48H-N 135.657 9.375 A49H-N 120.156 7.9 D51H-N 121.647 7.654 V52H-N 117.887 8.291 A53H-N 122.283 6.786 V54H-N 118.043 8.295 E55H-N 122.066 8.771 N56H-N 113.906 7.452 N56HD21-ND2 115.504 7.11 N56HD22-ND2 115.504 6.392 S57H-N 113.473 8.091 W58H-N 121.24 9.312 W58HE1-NE1 128.735 10.308 G59H-N 104.328 7.681 G60H-N 107.57 7.682 D62H-N 116.142 8.817 S63H-N 116.027 7.738 A64H-N 122.781 9.114 E65H-N 119.985 7.91 K66H-N 119.199 8.366 R67H-N 119.771 7.655 R67HE-NE 82.288 7.643 D68H-N 117.331 7.002 W69H-N 126.554 8.705 W69HE1-NE1 133.972 10.609 I70H-N 123.758 8.341 T71H-N 115.529 7.882 G72H-N 106.886 7.408 I73H-N 117.127 8.23 V74H-N 123.552 7.767 V75H-N 119.912 8.599 D76H-N 119.681 8.613 L77H-N 119.917 7.625 F78H-N 113.745 7.338 K79H-N 114.685 7.513 N80H-N 112.88 7.59 N80HD21-ND2 115.485 7.817 N80HD22-ND2 115.485 7.004 E81H-N 118.945 7.723 K82H-N 115.044 8.412 V83H-N 117.526 7.31 V84H-N 125.129 8.119 D85H-N 122.815 7.194 A86H-N 121.31 8.46 A87H-N 119.121 8.1 L88H-N 121.324 8.123 I89H-N 120.107 7.576 E90H-N 120.856 8.991 E91H-N 117.624 8.322 T92H-N 115.834 7.645 L93H-N 121.296 8.316 L94H-N 118.407 8.677 Y95H-N 117.704 8.801 A96H-N 122.606 8.147 M97H-N 115.507 7.903 I98H-N 123.584 7.924 D99H-N 120.191 9.42 E100H-N 112.463 8.519 F101H-N 114.691 7.573 E102H-N 117.965 7.537 T103H-N 114.688 7.894 N104H-N 124.839 8.59 N104HD21-ND2 112.65 7.589 N104HD22-ND2 112.65 6.796 V105H-N 126.445 8.615 E106H-N 127.716 9.035 D107H-N 119.44 7.745 D108H-N 116.059 8.707 S109H-N 111.304 8.037 A110H-N 124.572 8.82 L111H-N 120.491 7.753 I113H-N 117.476 6.291 A114H-N 122.404 7.876 V115H-N 115.777 8.352 E116H-N 120.515 7.802 V117H-N 120.343 8.311 I118H-N 120.156 7.569 N119H-N 119.01 8.491 N119HD21-ND2 112.161 7.606 N119HD22-ND2 112.161 6.966 I120H-N 121.978 8.664 Y121H-N 124.542 8.728 N122H-N 118.235 8.522 N122HD21-ND2 112.561 7.707 N122HD22-ND2 112.561 6.966 D123H-N 121.929 8.639 C124H-N 118.025 8.497 F125H-N 125.041 9.325 N126H-N 115.383 7.577 N126HD21-ND2 115.107 7.707 N126HD22-ND2 115.107 7.16 L127H-N 116.392 7.715 N128H-N 116.722 8.045 N128HD21-ND2 111.186 7.578 N128HD22-ND2 111.186 6.765 Y129H-N 121.424 8.425 N130H-N 119.285 8.209 N130HD21-ND2 113.424 7.738 N130HD22-ND2 113.424 7.057 K131H-N 120.862 8.9 V132H-N 118.385 7.286 E133H-N 116.515 8.06 K134H-N 119.848 8.028 L135H-N 118.34 8.604 Y136H-N 121.159 8.393 L137H-N 121.178 8.418 E138H-N 119.388 8.247 W139H-N 124.055 8.487 W139HE1-NE1 127.413 8.139 Q140H-N 118.789 8.763 Q140HE21-NE2 111.621 6.801 Q140HE22-NE2 111.621 6.375 E141H-N 119.649 7.74 K142H-N 121.35 7.916 Q143H-N 116.758 7.937 Q143HE21-NE2 113.004 6.813 Q143HE22-NE2 113.004 6.19 R144H-N 118.154 7.588 T145H-N 111.409 7.729 K146H-N 122.833 7.699 K147H-N 121.168 8.121 S148H-N 116.252 8.131 K149H-N 123.007 8.23 R150H-N 122.404 8.222 V151H-N 122.974 8.264 V152H-N 124.909 8.275 H153H-N 124.684 8.551 I154H-N 124.35 8.222 E155H-N 125.716 8.545 G156H-N 116.709 8.035