Assignment w1 w2 G3H-N 111.0 8.549 S4H-N 115.163 8.14 G11H-N 114.806 7.89 S12H-N 119.5 8.378 L13H-N 117.004 9.019 H14H-N 117.666 8.175 T15H-N 124.638 9.248 K16H-N 130.219 8.518 G17H-N 114.603 10.416 A18H-N 121.011 8.138 L19H-N 125.023 9.111 L21H-N 123.979 8.487 D22H-N 118.785 7.979 T23H-N 107.516 7.74 V24H-N 119.675 8.926 T25H-N 112.028 9.297 F26H-N 123.979 9.596 Y27H-N 111.276 6.47 K28H-N 115.065 7.174 V29H-N 115.897 7.957 I30H-N 120.662 6.86 K32H-N 113.905 7.393 S33H-N 111.258 7.012 K34H-N 128.681 8.751 F35H-N 110.512 7.603 V36H-N 122.743 9.127 L37H-N 130.955 9.067 V38H-N 127.959 9.805 K39H-N 126.588 8.252 F40H-N 129.656 9.344 D41H-N 123.273 8.385 T42H-N 110.83 8.789 Q43H-N 119.522 7.626 Q43HE21-NE2 110.9 6.734 Q43HE22-NE2 110.9 7.242 Y44H-N 115.981 8.133 Y46H-N 116.643 8.162 G47H-N 111.053 8.641 E48H-N 120.19 8.658 K49H-N 118.853 8.647 Q50H-N 120.9 7.372 Q50HE21-NE2 109.7 7.067 Q50HE22-NE2 109.7 7.181 D51H-N 121.672 8.137 E52H-N 119.0 7.902 F53H-N 119.5 7.928 R55H-N 118.853 7.382 L56H-N 121.1 7.909 A57H-N 121.287 8.429 E58H-N 118.85 7.948 N59H-N 117.739 8.176 N59HD21-ND2 109.6 6.791 N59HD22-ND2 109.6 7.598 S60H-N 114.619 7.792 A61H-N 125.926 7.504 S62H-N 110.115 7.817 S63H-N 115.733 7.429 D64H-N 126.491 8.859 D65H-N 116.679 8.386 L66H-N 118.58 7.177 L67H-N 125.985 7.763 V68H-N 125.42 9.367 A69H-N 129.487 9.632 E70H-N 117.1 8.535 V71H-N 124.747 8.597 G72H-N 115.065 8.561 I73H-N 126.876 8.88 S74H-N 116.6 8.524 D75H-N 122.196 8.302 Y76H-N 117.846 7.824 G77H-N 111.728 8.725 D78H-N 125.697 8.499 K79H-N 117.962 8.261 L80H-N 121.384 7.279 N81H-N 117.5 9.896 N81HD21-ND2 111.6 6.517 N81HD22-ND2 111.6 8.028 M82H-N 122.642 7.017 E83H-N 121.904 8.527 L84H-N 121.973 8.549 S85H-N 112.233 7.058 E86H-N 118.2 8.181 K87H-N 120.938 7.631 Y88H-N 112.798 6.925 K89H-N 117.962 7.643 L90H-N 116.847 7.951 D91H-N 120.65 8.255 K92H-N 123.772 8.28 E93H-N 118.185 8.121 S94H-N 113.95 7.858 Y95H-N 119.076 7.016 V97H-N 120.337 8.588 F98H-N 124.648 9.335 Y99H-N 122.865 9.377 L100H-N 123.533 9.365 F101H-N 127.768 9.64 R102H-N 121.75 9.499 D103H-N 120.674 9.285 G104H-N 105.337 9.15 D105H-N 117.07 7.56 F106H-N 122.642 8.166 E107H-N 116.6 8.512 N108H-N 115.68 7.404 N108HD21-ND2 119.9 6.986 N108HD22-ND2 119.9 8.498 V110H-N 121.576 8.973 Y112H-N 126.9 8.12 S113H-N 122.865 7.555 G114H-N 107.71 5.413 A115H-N 120.636 8.254 V116H-N 127.093 9.4 K117H-N 123.718 7.218 V118H-N 123.583 9.607 G119H-N 107.083 8.893 A120H-N 123.934 6.828 I121H-N 120.06 8.237 Q122H-N 118.219 8.695 Q122HE21-NE2 108.6 6.556 Q122HE22-NE2 108.6 7.01 R123H-N 118.425 7.969 W124H-N 122.4 7.964 W124HE1-NE1 130.5 10.243 L125H-N 120.4 8.897 K126H-N 119.968 8.155 G127H-N 108.346 7.854 Q128H-N 117.545 7.269 Q128HE21-NE2 112.3 6.34 Q128HE22-NE2 112.3 6.579 G129H-N 104.823 7.475 V130H-N 121.305 7.278 Y131H-N 125.0 8.671 L132H-N 124.4 8.509 G133H-N 110.162 8.393 M134H-N 115.716 8.371 G136H-N 109.887 8.515 C137H-N 119.29 7.455