Assignment w1 w2 M4H-N 121.492 8.397 N5H-N 118.929 8.577 N5HD21-ND2 113.045 6.93 N5HD22-ND2 113.045 7.606 D6H-N 120.118 8.259 V7H-N 119.895 8.064 T8H-N 116.745 8.403 T9H-N 116.788 8.696 E10H-N 120.81 8.712 T11H-N 118.454 8.015 Y12H-N 122.322 8.565 E13H-N 117.414 8.55 T14H-N 117.39 8.095 L15H-N 124.692 8.433 K16H-N 119.569 8.776 Q17H-N 115.756 8.093 Q17HE21-NE2 111.376 6.801 Q17HE22-NE2 111.376 7.623 S18H-N 116.323 8.158 V19H-N 123.395 8.988 L20H-N 120.549 8.605 H21H-N 116.921 8.388 T22H-N 118.763 8.373 F23H-N 118.747 8.574 A24H-N 125.277 8.765 Q25H-N 117.534 8.24 Q25HE21-NE2 111.568 6.829 Q25HE22-NE2 111.568 7.339 L26H-N 115.5 7.925 T27H-N 106.453 7.921 G28H-N 110.446 7.999 Y29H-N 120.4 7.615 N30H-N 119.03 8.868 N30HD21-ND2 114.509 7.824 N30HD22-ND2 114.509 7.002 V31H-N 124.529 8.863 S32H-N 114.435 8.369 E33H-N 119.788 7.92 L34H-N 119.35 7.305 S35H-N 114.336 8.006 L36H-N 122.517 8.904 T37H-N 102.275 7.604 S38H-N 119.312 7.351 H39H-N 128.33 9.893 L40H-N 130.544 8.386 E41H-N 118.537 8.695 D43H-N 115.307 8.566 L44H-N 114.776 7.035 G45H-N 109.458 7.422 V46H-N 122.855 8.336 D47H-N 126.77 8.189 S48H-N 113.471 8.465 I49H-N 124.511 7.707 A50H-N 124.5 8.081 L51H-N 118.808 8.792 A52H-N 120.566 7.813 E53H-N 117.974 7.411 I54H-N 122.955 8.321 A55H-N 121.976 8.639 V56H-N 120.903 7.91 S57H-N 117.213 8.11 L58H-N 120.349 8.883 S59H-N 114.291 7.962 R60H-N 120.252 8.003 Q61H-N 121.518 8.613 Q61HE21-NE2 109.27 6.528 Q61HE22-NE2 109.27 6.958 F62H-N 112.35 7.499 Q63H-N 117.186 7.675 Q63HE21-NE2 112.576 7.66 Q63HE22-NE2 112.576 6.766 L64H-N 114.607 8.055 N65H-N 120.332 8.961 N65HD21-ND2 115.164 7.805 N65HD22-ND2 115.164 7.259 T66H-N 113.342 7.355 L68H-N 120.457 7.842 L69H-N 122.689 8.499 I70H-N 119.037 8.5 Q71H-N 118.504 8.502 Q71HE21-NE2 112.591 6.801 Q71HE22-NE2 112.591 7.725 D72H-N 117.378 7.648 I73H-N 116.749 7.34 N74H-N 121.645 9.075 N74HD21-ND2 114.026 7.566 N74HD22-ND2 114.026 6.988 T75H-N 108.612 8.026 I76H-N 120.652 8.422 K77H-N 120.771 8.674 D78H-N 117.062 7.708 A79H-N 122.973 7.657 L80H-N 118.484 7.782 D81H-N 118.68 9.006 G82H-N 106.947 8.087 I83H-N 125.058 8.036 L84H-N 115.735 7.744 Q85H-N 115.564 7.405 Q85HE21-NE2 111.369 6.9 Q85HE22-NE2 111.369 7.282 R86H-N 122.227 7.893 R86HE-NE 85.679 6.371 E87H-N 117.692 8.065 F88H-N 118.235 7.508 Q89H-N 119.388 8.749 Q89HE21-NE2 112.692 7.592 Q89HE22-NE2 112.692 6.77 L90H-N 123.885 8.707 S91H-N 116.83 8.357 E92H-N 122.998 8.513 K93H-N 123.08 8.393 V94H-N 123.297 8.259 E95H-N 127.204 8.539 A97H-N 124.073 8.374 A98H-N 123.431 8.246 I99H-N 120.509 8.107 A100H-N 128.849 8.39 L101H-N 122.481 8.295 S102H-N 117.611 8.407 G103H-N 110.063 8.664 D104H-N 121.119 8.333 A105H-N 125.311 7.809 D106H-N 117.258 7.873 L107H-N 120.465 7.873 W108H-N 119.882 8.215 W108HE1-NE1 130.07 10.336 L109H-N 120.176 9.015 G110H-N 105.621 8.533 N111H-N 119.616 8.212 N111HD21-ND2 111.624 6.785 N111HD22-ND2 111.624 7.681 L112H-N 123.627 7.872 V113H-N 116.063 8.224 R114H-N 117.323 7.973 R114HE-NE 83.478 6.926 Q115H-N 118.837 8.582 Q115HE21-NE2 111.266 7.371 Q115HE22-NE2 111.266 6.777 I116H-N 119.983 8.451 F117H-N 119.259 8.668 A118H-N 126.016 9.028 S119H-N 113.15 7.891 H120H-N 116.171 7.627 S121H-N 111.625 7.971 G122H-N 111.239 8.146 Y123H-N 120.756 7.786 D124H-N 120.252 8.32 V125H-N 124.708 8.601 N126H-N 116.442 8.377 N126HD21-ND2 115.057 6.981 N126HD22-ND2 115.057 7.933 A127H-N 121.315 7.928 L128H-N 120.44 7.124 A129H-N 127.235 7.388 L130H-N 121.009 8.673 D131H-N 112.852 8.077 A132H-N 122.076 6.866 E133H-N 122.204 9.502 I134H-N 127.958 8.513 E135H-N 116.794 8.689 S136H-N 111.486 8.078 D137H-N 117.859 7.595 L138H-N 115.346 7.785 G139H-N 108.492 7.499 I140H-N 121.041 7.833 D141H-N 126.191 8.408 S142H-N 115.347 8.642 V143H-N 124.826 7.99 S144H-N 119.822 8.092 V145H-N 121.099 8.17 A146H-N 121.273 7.844 S147H-N 115.85 8.237 A148H-N 126.152 7.927 Q149H-N 116.206 8.46 Q149HE21-NE2 107.784 6.454 Q149HE22-NE2 107.784 7.164 G150H-N 104.815 8.008 E151H-N 122.486 7.658 L152H-N 123.255 8.318 F153H-N 117.627 8.678 N154H-N 116.089 7.999 N154HD21-ND2 112.792 6.968 N154HD22-ND2 112.792 7.821 T155H-N 118.701 8.902 L156H-N 119.27 8.03 Q157H-N 114.339 7.751 Q157HE21-NE2 112.849 7.71 Q157HE22-NE2 112.849 6.891 L158H-N 118.864 8.166 N159H-N 121.477 9.833 N159HD21-ND2 113.05 6.991 N159HD22-ND2 113.05 7.618 S160H-N 119.558 8.558 E161H-N 121.561 8.157 T162H-N 114.399 7.543 I163H-N 124.358 8.18 I164H-N 125.618 8.757 A165H-N 129.415 8.358 N166H-N 115.702 8.556 N166HD21-ND2 112.798 7.641 N166HD22-ND2 112.798 6.863 C167H-N 119.275 8.463 N168H-N 119.662 8.961 N168HD21-ND2 114.037 8.006 N168HD22-ND2 114.037 6.948 T169H-N 106.881 7.2 L170H-N 122.596 9.871 S171H-N 116.38 9.041 A172H-N 124.535 8.113 L173H-N 120.538 7.753 K174H-N 119.922 8.743 Q175H-N 117.133 7.974 Q175HE21-NE2 111.306 6.907 Q175HE22-NE2 111.306 7.388 C176H-N 119.748 8.168 L177H-N 120.4 8.767 A178H-N 121.164 8.537 A179H-N 118.276 7.595 R180H-N 118.671 7.808 R180HE-NE 83.29 7.564 L181H-N 121.695 8.56 V182H-N 118.14 7.759 Q183H-N 118.856 7.763 Q183HE21-NE2 112.405 7.695 Q183HE22-NE2 112.405 6.901 E184H-N 115.363 8.72 K185H-N 115.712 8.701 G186H-N 108.994 7.681 Q187H-N 116.45 8.792 Q187HE21-NE2 112.159 6.905 Q187HE22-NE2 112.159 7.693 D188H-N 118.434 8.743 W189H-N 118.088 7.305 W189HE1-NE1 129.624 10.162 F190H-N 124.912 7.597 E191H-N 119.57 7.874 L192H-N 116.829 7.495 T193H-N 111.557 7.506 R194H-N 120.35 7.267 R194HE-NE 84.774 6.742 A195H-N 125.306 7.736 L201H-N 122.269 8.29 R202H-N 122.366 8.381 S203H-N 117.516 8.404 G204H-N 111.536 8.536 C205H-N 122.666 7.898