Assignment w1 w2 K2H-N 125.25 8.293 K3H-N 124.85 10.113 I4H-N 126.36 9.419 L5H-N 130.47 8.41 F6H-N 126.45 8.678 I7H-N 122.66 9.222 C8H-N 123.51 7.936 L9H-N 120.92 7.379 G10H-N 105.09 8.93 N11H-N 119.47 9.037 I12H-N 125.78 7.616 C13H-N 120.08 9.097 R14H-N 123.36 10.37 S15H-N 118.89 9.948 M17H-N 115.27 6.58 A18H-N 119.6 7.764 E19H-N 118.06 8.179 F20H-N 115.61 7.614 I21H-N 124.01 8.635 M22H-N 120.28 8.882 K23H-N 118.53 8.59 D24H-N 120.8 7.583 L25H-N 118.99 8.266 V26H-N 119.24 8.709 K27H-N 122.84 8.062 K28H-N 121.93 8.321 A29H-N 119.73 7.499 N30H-N 115.55 8.13 N30HD21-ND2 112.96 7.64 N30HD22-ND2 112.96 6.86 L31H-N 117.81 8.276 E32H-N 122.62 9.247 K33H-N 115.86 8.501 E34H-N 116.76 7.839 F35H-N 116.84 7.268 F36H-N 124.01 8.883 I37H-N 128.9 8.814 N38H-N 124.58 8.562 N38HD21-ND2 111.71 6.992 N38HD22-ND2 111.71 7.644 S39H-N 115.98 8.725 A40H-N 118.41 8.773 G41H-N 105.64 8.76 T42H-N 112.52 8.975 S43H-N 118.41 8.917 G44H-N 114.41 9.452 E45H-N 119.56 8.233 H46H-N 114.65 8.082 D47H-N 121.34 6.961 G48H-N 111.86 8.539 E49H-N 121.04 8.253 G50H-N 105.2 8.278 M51H-N 114.84 8.345 H52H-N 122.45 8.688 Y53H-N 128.43 8.082 G54H-N 116.25 11.306 T55H-N 120.29 6.675 K56H-N 122.74 7.823 N57H-N 115.66 8.598 N57HD21-ND2 112.36 7.566 N57HD22-ND2 112.36 6.746 K58H-N 120.11 6.962 L59H-N 116.3 7.714 A60H-N 120.77 8.322 Q61H-N 120.14 7.962 Q61HE21-NE2 111.97 7.309 Q61HE22-NE2 111.97 6.863 L62H-N 118.87 7.066 N63H-N 116.69 7.941 N63HD21-ND2 112.96 7.463 N63HD22-ND2 112.96 6.768 I64H-N 120.33 8.068 E65H-N 132.85 8.872 H66H-N 120.97 8.185 K67H-N 119.61 7.45 N68H-N 115.05 8.605 N68HD21-ND2 113.97 7.68 N68HD22-ND2 113.97 6.934 F69H-N 121.28 8.151 T70H-N 124.22 7.767 S71H-N 122.49 8.937 K72H-N 128.53 9.777 K73H-N 122.46 8.068 L74H-N 125.78 9.319 T75H-N 113.3 6.347 Q76H-N 123.7 9.496 K77H-N 119.99 8.177 L78H-N 118.36 7.445 C79H-N 118.36 7.543 D80H-N 119.6 8.546 E81H-N 116.88 7.799 S82H-N 115.46 7.174 D83H-N 122.89 8.999 F84H-N 111.88 7.442 L85H-N 125.79 8.715 I86H-N 124.21 9.098 T87H-N 118.19 9.17 M88H-N 116.12 7.563 D89H-N 121.86 8.671 N90H-N 119.2 9.91 N90HD21-ND2 113.7 7.464 N90HD22-ND2 113.7 6.968 S91H-N 120.98 8.654 N92H-N 122.18 9.142 N92HD21-ND2 108.83 8.499 N92HD22-ND2 108.83 5.896 F93H-N 119.83 8.032 K94H-N 116.33 8.079 N95H-N 118.18 8.238 N95HD21-ND2 112.93 7.51 N95HD22-ND2 112.93 6.861 V96H-N 120.44 8.302 L97H-N 116.98 7.285 K98H-N 116.0 7.891 N99H-N 114.32 7.92 N99HD21-ND2 113.71 7.299 N99HD22-ND2 113.71 6.965 F100H-N 118.2 7.378 T101H-N 116.62 9.471 N102H-N 117.15 9.167 N102HD21-ND2 114.41 7.84 N102HD22-ND2 114.41 6.862 T103H-N 106.28 8.236 Q104H-N 123.02 8.705 Q104HE21-NE2 112.68 7.534 Q104HE22-NE2 112.68 6.895 N105H-N 114.86 8.619 N105HD21-ND2 113.36 7.594 N105HD22-ND2 113.36 6.919 K106H-N 117.31 7.857 V107H-N 118.78 7.166 L108H-N 128.27 9.162 K109H-N 122.14 8.726 I110H-N 125.45 8.745 T111H-N 109.41 7.709 D112H-N 124.96 7.77 F113H-N 116.57 7.951 S114H-N 113.36 7.62 S116H-N 114.03 8.259 L117H-N 120.28 7.717 N118H-N 114.86 8.05 N118HD21-ND2 112.57 7.37 N118HD22-ND2 112.57 6.646 Y119H-N 117.0 7.821 D120H-N 122.39 9.064 E121H-N 113.34 7.693 V122H-N 122.06 8.056 D124H-N 124.13 9.094 W126H-N 124.86 8.075 W126HE1-NE1 130.2 10.277 Y127H-N 111.8 7.117 S128H-N 114.73 8.024 G129H-N 111.36 8.369 N130H-N 118.08 7.757 N130HD21-ND2 112.17 7.738 N130HD22-ND2 112.17 7.072 F131H-N 124.76 8.798 D132H-N 123.49 8.315 E133H-N 124.29 7.693 T134H-N 114.07 7.093 Y135H-N 119.36 7.807 K136H-N 124.2 8.418 I137H-N 115.29 7.386 L138H-N 115.35 8.184 S139H-N 115.42 8.759 L140H-N 124.4 6.448 A141H-N 120.42 8.712 C142H-N 113.07 8.783 K143H-N 120.66 7.003 N144H-N 119.06 7.921 N144HD21-ND2 111.9 8.058 N144HD22-ND2 111.9 6.725 L145H-N 126.79 9.153 L146H-N 120.57 8.057 V147H-N 120.75 7.486 F148H-N 121.34 7.736 L149H-N 118.21 8.686 S150H-N 113.9 8.097 K151H-N 121.5 7.488 H152H-N 118.93 7.921 H153H-N 125.97 8.14 K2H-N 125.264 8.104 K3H-N 124.905 10.044 I4H-N 126.432 9.415 L5H-N 130.565 8.425 F6H-N 126.522 8.675 I7H-N 122.569 9.194 C8H-N 124.276 7.957 N11H-N 120.427 9.215 S15H-N 119.614 10.251 M17H-N 115.382 6.606 A18H-N 119.604 7.805 E19H-N 118.167 8.218 F20H-N 115.651 7.63 I21H-N 124.007 8.66 M22H-N 120.323 8.89 K23H-N 118.436 8.597 D24H-N 120.862 7.606 L25H-N 119.065 8.272 V26H-N 119.335 8.697 K27H-N 122.353 8.06 K28H-N 121.94 8.325 A29H-N 119.694 7.516 N30H-N 115.471 8.123 L31H-N 118.077 8.251 E32H-N 122.12 9.152 K33H-N 115.921 8.499 E34H-N 116.55 7.863 F35H-N 116.55 7.248 F36H-N 124.186 8.96 I37H-N 128.948 8.785 N38H-N 124.546 8.555 S39H-N 116.011 8.699 A40H-N 118.526 8.797 G41H-N 105.48 8.742 T42H-N 112.507 9.004 S43H-N 118.706 8.988 E45H-N 119.694 8.21 H46H-N 115.382 8.033 D47H-N 121.221 6.953 G48H-N 111.878 8.564 E49H-N 121.221 8.332 G50H-N 105.225 8.287 M51H-N 114.663 8.288 H52H-N 122.749 8.793 Y53H-N 128.319 8.036 T55H-N 120.503 6.673 K56H-N 122.839 7.802 N57H-N 115.561 8.592 K58H-N 119.963 6.955 L59H-N 116.55 7.751 A60H-N 120.862 8.406 Q61H-N 120.053 7.942 L62H-N 118.975 7.099 N63H-N 116.729 7.952 I64H-N 120.413 8.083 E65H-N 132.452 8.806 H66H-N 121.132 8.047 K67H-N 119.301 7.303 F69H-N 121.221 8.136 T70H-N 124.007 7.754 S71H-N 122.389 8.925 K72H-N 128.589 9.819 K73H-N 122.795 8.053 L74H-N 125.803 9.332 T75H-N 113.315 6.354 K77H-N 119.964 8.17 L78H-N 118.257 7.449 C79H-N 118.257 7.542 D80H-N 119.604 8.542 E81H-N 116.999 7.808 S82H-N 115.471 7.178 D83H-N 123.018 9.025 F84H-N 111.968 7.458 L85H-N 125.803 8.723 I86H-N 124.186 9.123 T87H-N 118.077 9.171 M88H-N 116.28 7.635 D89H-N 121.85 8.72 N90H-N 119.155 9.879 S91H-N 120.862 8.667 N92H-N 122.21 9.157 F93H-N 119.874 8.04 K94H-N 116.37 8.075 N95H-N 118.167 8.252 V96H-N 120.413 8.317 L97H-N 117.089 7.301 K98H-N 116.011 7.916 N99H-N 114.393 7.935 F100H-N 118.257 7.383 T101H-N 116.639 9.478 N102H-N 120.593 7.758 T103H-N 106.299 8.235 Q104H-N 122.927 8.697 K106H-N 117.268 7.85 V107H-N 118.796 7.17 L108H-N 128.319 9.188 K109H-N 122.03 8.735 I110H-N 125.444 8.762 T111H-N 109.35 7.715 D112H-N 124.995 7.787 F113H-N 116.55 7.963 S114H-N 113.315 7.631 L117H-N 120.323 7.812 Y119H-N 117.044 7.809 D120H-N 122.114 9.118 E121H-N 113.26 7.687 V122H-N 122.119 8.071 D124H-N 124.143 9.004 W126H-N 125.085 8.197 W126HE1-NE1 129.936 10.223 Y127H-N 112.147 7.141 S128H-N 114.753 8.07 G129H-N 111.518 8.39 N130H-N 118.257 7.79 F131H-N 124.797 8.783 D132H-N 123.378 8.319 E133H-N 124.276 7.687 T134H-N 114.214 7.106 Y135H-N 119.338 7.814 K136H-N 124.186 8.41 I137H-N 115.382 7.405 L138H-N 115.471 8.197 S139H-N 115.382 8.763 L140H-N 124.366 6.468 A141H-N 120.413 8.722 C142H-N 113.136 8.797 K143H-N 120.593 7.006 N144H-N 118.975 7.919 L145H-N 126.702 9.144 L146H-N 120.503 8.064 V147H-N 120.593 7.508 F148H-N 121.221 7.74 L149H-N 117.897 8.651 S150H-N 113.764 8.1 K151H-N 121.581 7.53