Assignment w1 w2 L3H-N 123.402 8.596 K4H-N 117.97 8.148 E5H-N 119.276 7.846 K6H-N 120.427 8.214 F7H-N 120.279 8.715 E8H-N 117.954 7.978 E9H-N 117.465 7.079 Y10H-N 122.507 8.474 E11H-N 117.895 8.647 K12H-N 115.371 6.941 R16H-N 118.357 6.87 I17H-N 120.432 8.592 L18H-N 118.636 7.849 G19H-N 105.624 7.96 L20H-N 123.632 7.834 W21H-N 118.737 8.35 Q22H-N 117.417 8.093 Q22HE21-NE2 111.99 6.819 Q22HE22-NE2 111.99 7.329 E23H-N 120.667 8.29 A24H-N 123.406 8.696 R25H-N 119.816 8.41 D26H-N 120.478 8.432 A27H-N 123.6 8.549 F28H-N 120.269 8.687 E29H-N 121.24 8.694 A30H-N 118.729 7.588 G31H-N 107.114 7.743 D32H-N 122.317 8.429 L33H-N 121.5 7.775 A34H-N 122.824 8.494 R35H-N 119.579 7.382 V36H-N 118.096 7.673 D37H-N 117.95 7.877 E38H-N 117.304 7.538 L39H-N 121.533 8.329 L40H-N 118.83 8.779 R41H-N 118.978 7.658 E42H-N 121.501 7.695 L43H-N 120.837 8.875 K44H-N 118.289 7.774 E45H-N 115.693 6.907 I46H-N 120.448 7.983 L47H-N 121.282 8.528 R48H-N 117.713 7.152 K49H-N 119.457 7.694 L51H-N 118.131 7.984 K52H-N 117.317 7.637 L53H-N 120.274 8.01 A54H-N 122.035 8.55 E55H-N 117.473 8.292 E56H-N 121.035 8.322 M57H-N 118.833 8.741 K58H-N 120.329 8.313 K59H-N 118.78 7.752 E60H-N 119.157 7.874 A61H-N 123.056 8.77 E62H-N 120.206 8.468 E63H-N 121.746 8.218 A64H-N 118.565 7.647 G65H-N 108.013 7.79 N66H-N 118.496 8.033 N66HD21-ND2 111.762 7.381 N66HD22-ND2 111.762 7.628 K67H-N 124.295 7.894 E68H-N 119.29 8.764 A69H-N 118.698 7.564 V70H-N 117.432 8.011 E71H-N 117.872 7.836 L72H-N 118.896 7.598 L73H-N 122.304 8.741 E74H-N 121.397 8.884 E75H-N 119.359 7.332 Q76H-N 119.962 7.815 L77H-N 119.483 8.63 E78H-N 118.53 8.181 G79H-N 107.664 7.868 L80H-N 122.88 8.854 K81H-N 119.561 8.577 K82H-N 122.174 7.669 I83H-N 120.801 8.227 Q84H-N 120.602 8.906 Q84HE21-NE2 110.037 6.385 Q84HE22-NE2 110.037 7.625 A85H-N 121.324 7.814 M86H-N 118.902 8.076 F87H-N 121.884 9.286 E88H-N 118.566 8.183 E89H-N 119.527 7.461 A90H-N 125.14 8.911 V91H-N 119.058 8.554 E92H-N 118.949 7.377 A93H-N 122.63 8.371 F94H-N 119.281 8.791 R95H-N 120.241 8.532 A96H-N 118.819 7.795 G97H-N 107.183 7.569 D98H-N 121.037 8.221 R99H-N 124.021 7.992 E100H-N 119.852 8.713 R101H-N 120.546 7.744 F102H-N 118.03 8.267 G103H-N 103.137 8.173 E104H-N 121.475 7.685 L105H-N 120.112 8.077 L106H-N 118.816 8.022 E107H-N 115.307 7.167 K108H-N 119.218 7.513 I109H-N 122.229 8.593 I110H-N 120.27 7.691 E111H-N 118.334 7.633 E112H-N 120.506 8.151 G113H-N 107.321 8.807 K114H-N 121.879 8.544 A115H-N 120.527 7.562 L116H-N 116.781 7.332 L117H-N 117.6 7.251 N119H-N 114.306 7.617 N119HD21-ND2 111.941 6.837 N119HD22-ND2 111.941 8.002 V120H-N 122.142 8.098 E121H-N 117.647 7.563 K122H-N 116.976 7.151 I123H-N 121.288 7.998 K124H-N 118.451 7.391 E125H-N 113.002 6.881 A126H-N 120.814 7.5 I127H-N 119.41 6.87