Assignment w1 w2 D3H-N 121.473 8.749 K4H-N 123.241 8.269 K6H-N 122.769 8.416 R7H-N 121.573 8.379 L9H-N 120.973 7.864 S10H-N 114.27 7.908 A11H-N 122.509 9.079 F12H-N 114.98 8.051 M13H-N 117.884 7.333 L14H-N 120.517 8.339 W15H-N 122.029 7.966 W15HE1-NE1 128.797 9.832 L16H-N 123.892 9.038 N17H-N 115.064 7.911 N17HD21-ND2 107.596 7.274 N17HD22-ND2 107.596 6.273 S18H-N 117.262 7.209 A19H-N 124.843 7.335 R20H-N 120.427 7.813 E21H-N 116.909 8.525 S22H-N 116.49 8.071 I23H-N 123.132 7.954 K24H-N 118.8 8.227 R25H-N 118.63 8.028 E26H-N 115.058 7.658 N27H-N 116.247 7.242 N27HD21-ND2 116.663 8.157 N27HD22-ND2 116.663 7.371 G29H-N 112.04 8.793 I30H-N 120.753 7.766 K31H-N 125.859 8.577 V32H-N 122.246 9.032 T33H-N 110.056 7.338 E34H-N 120.914 6.971 V35H-N 123.073 8.087 A36H-N 120.632 7.634 K37H-N 117.393 7.661 R38H-N 120.704 8.561 G39H-N 107.235 9.332 G40H-N 109.612 8.952 E41H-N 120.442 7.535 L42H-N 120.393 8.202 R44H-N 116.01 8.276 A45H-N 117.884 7.058 M46H-N 121.225 7.099 K47H-N 126.238 8.443 D48H-N 116.491 8.015 K49H-N 125.838 8.828 S50H-N 117.493 8.45 E51H-N 124.391 9.001 W52H-N 121.354 6.882 W52HE1-NE1 130.201 10.632 E53H-N 119.84 8.47 A54H-N 122.62 8.301 K55H-N 119.689 7.792 A56H-N 124.105 8.591 A57H-N 123.379 8.174 K58H-N 120.273 7.888 A59H-N 120.947 8.05 K60H-N 121.582 8.179 D61H-N 121.545 8.047 D62H-N 119.642 8.658 Y63H-N 123.673 8.173 D64H-N 120.49 8.797 R65H-N 118.858 7.884 A66H-N 123.474 8.134 V67H-N 121.273 8.953 K68H-N 120.274 7.614 E69H-N 119.576 7.935 F70H-N 120.891 8.224 E71H-N 119.113 8.584 A72H-N 122.211 8.021 N73H-N 114.824 7.757 N73HD21-ND2 113.193 7.622 N73HD22-ND2 113.193 6.983 G74H-N 107.421 7.869 G75H-N 108.622 8.011 S76H-N 116.173 8.296 S77H-N 118.285 8.497 A78H-N 125.47 8.243 A79H-N 122.089 8.184 N80H-N 116.879 8.306 N80HD21-ND2 112.16 7.637 N80HD22-ND2 112.16 6.948 A88H-N 125.461 8.374 A91H-N 124.573 8.443 A95H-N 127.81 8.398 K99H-N 122.773 8.37 S103H-N 114.51 8.089 D104H-N 122.285 8.329 E110H-N 121.073 8.39 S111H-N 117.273 8.316 E112H-N 127.478 8.056