Assignment w1 w2 Q3H-N 121.804 8.741 Q3HE21-NE2 111.897 7.545 Q3HE22-NE2 111.897 6.938 I4H-N 121.954 8.763 F5H-N 130.495 8.794 V6H-N 124.904 8.702 V7H-N 125.695 8.715 F8H-N 125.448 8.8 S9H-N 114.178 7.801 S10H-N 122.987 9.131 D11H-N 122.923 7.532 E13H-N 117.79 8.381 I14H-N 114.066 7.145 L15H-N 120.405 7.156 K16H-N 115.649 8.179 E17H-N 118.224 7.795 I18H-N 116.607 8.261 V19H-N 119.435 8.031 R20H-N 117.611 7.639 E21H-N 117.875 7.955 I22H-N 119.112 8.059 K23H-N 118.233 8.254 R24H-N 120.0 8.083 Q25H-N 115.275 7.441 Q25HE21-NE2 110.706 7.592 Q25HE22-NE2 110.706 6.525 G26H-N 106.424 8.039 V27H-N 118.997 6.891 R28H-N 125.389 8.204 V29H-N 119.435 8.183 V30H-N 127.836 8.541 L31H-N 129.809 8.95 L32H-N 128.137 9.377 Y33H-N 125.672 8.891 S34H-N 123.365 8.081 D35H-N 125.428 7.918 Q36H-N 124.024 8.602 Q36HE21-NE2 112.724 7.556 Q36HE22-NE2 112.724 6.846 D37H-N 121.797 8.385 E38H-N 125.875 8.502 K39H-N 120.0 8.112 R40H-N 120.726 7.976 R41H-N 118.81 8.342 R41HE-NE 83.561 7.259 R42H-N 117.214 7.942 E43H-N 118.693 7.903 R44H-N 118.994 8.433 L45H-N 119.684 8.484 E46H-N 117.723 7.643 E47H-N 118.544 7.496 F48H-N 116.945 8.241 E49H-N 121.762 8.756 K50H-N 119.575 7.994 Q51H-N 115.925 7.503 Q51HE21-NE2 109.475 7.202 Q51HE22-NE2 109.475 6.641 G52H-N 107.201 8.035 V53H-N 120.313 7.528 D54H-N 126.378 7.916 V55H-N 124.347 8.067 R56H-N 126.37 9.06 R56HE-NE 86.911 8.093 T57H-N 117.134 8.635 V58H-N 120.466 8.066 E59H-N 125.409 10.0 D60H-N 114.932 7.811 K61H-N 118.985 8.522 E62H-N 120.344 8.135 D63H-N 121.068 8.485 F64H-N 122.208 8.292 R65H-N 118.365 8.019 R65HE-NE 84.779 7.755 E66H-N 117.313 8.011 N67H-N 116.977 7.932 N67HD21-ND2 114.674 7.42 N67HD22-ND2 114.674 7.333 I68H-N 119.92 7.947 R69H-N 115.76 7.343 R69HE-NE 85.0 7.636 E70H-N 118.384 7.43 I71H-N 121.535 7.766 W72H-N 114.932 7.037 W72HE1-NE1 128.85 10.132 E73H-N 113.239 7.201 R74H-N 119.344 8.155 R74HE-NE 85.031 7.956 Y75H-N 115.266 8.056 Q77H-N 114.629 8.718 Q77HE21-NE2 112.008 7.544 Q77HE22-NE2 112.008 6.873 L78H-N 115.772 8.633 D79H-N 120.306 9.595 V80H-N 112.424 7.438 V81H-N 121.924 8.126 V82H-N 126.903 8.27 I83H-N 126.519 9.06 V84H-N 126.888 9.029 T85H-N 117.191 7.718 T86H-N 115.069 7.605 D87H-N 120.489 7.644 D88H-N 122.576 7.83 K89H-N 127.607 8.886 E90H-N 118.811 8.988 W91H-N 120.24 7.848 W91HE1-NE1 129.435 10.051 I92H-N 119.806 7.275 K93H-N 118.562 7.84 D94H-N 119.648 7.918 F95H-N 120.321 8.328 I96H-N 118.737 8.52 E97H-N 118.991 8.405 E98H-N 118.596 7.904 A99H-N 122.967 8.361 K100H-N 118.614 8.801 E101H-N 119.895 7.849 R102H-N 116.654 7.205 R102HE-NE 85.0 7.025 G103H-N 108.273 7.865 V104H-N 119.156 7.488 E105H-N 124.642 8.227 V106H-N 119.784 8.465 F107H-N 131.546 9.049 V108H-N 124.378 8.809 V109H-N 126.696 9.08 Y110H-N 127.074 8.829 N111H-N 125.445 8.513 N111HD21-ND2 107.679 6.937 N111HD22-ND2 107.679 6.651 N112H-N 123.225 7.872 N112HD21-ND2 112.854 7.22 N112HD22-ND2 112.854 7.019 K113H-N 125.465 8.775 D114H-N 121.513 8.66 D115H-N 125.873 8.671 D116H-N 119.627 8.387 R117H-N 119.806 8.127 R118H-N 118.741 8.031 E120H-N 119.256 8.129 A121H-N 121.658 7.874 Q122H-N 115.417 7.813 Q122HE21-NE2 111.614 7.469 Q122HE22-NE2 111.614 6.918 Q123H-N 116.531 7.75 Q123HE21-NE2 111.594 7.461 Q123HE22-NE2 111.594 6.815 E124H-N 118.712 8.239 F125H-N 114.852 7.631 R126H-N 119.676 7.362 S127H-N 118.562 8.344 D128H-N 121.409 8.469 G129H-N 111.569 8.715 V130H-N 120.108 7.806 D131H-N 128.295 8.56 V132H-N 122.387 8.117 R133H-N 127.791 9.136 T134H-N 115.746 8.753 V135H-N 115.465 8.619 S136H-N 117.636 9.162 D137H-N 118.996 7.554 K138H-N 120.142 8.692 E139H-N 120.303 8.42 E140H-N 120.466 8.411 L141H-N 120.662 7.896 I142H-N 119.222 8.506 E143H-N 120.339 7.97 Q144H-N 116.514 7.897 Q144HE21-NE2 113.007 7.653 Q144HE22-NE2 113.007 6.883 V145H-N 119.701 8.096 R146H-N 119.025 8.589 R146HE-NE 84.779 7.334 R147H-N 116.619 7.781 F148H-N 118.741 7.644 V149H-N 117.62 8.282 R150H-N 118.509 7.67 K151H-N 118.83 7.535 V152H-N 118.547 7.624 G153H-N 110.274 8.286 S154H-N 114.698 7.894 L155H-N 123.456 8.148 E156H-N 120.155 8.219 H157H-N 119.332 8.208 H158H-N 125.232 8.068