Assignment w1 w2 L3H-N 127.8 8.5 E4H-N 128.94 9.47 A5H-N 130.3 8.769 T6H-N 118.4 8.098 V7H-N 126.4 9.43 L8H-N 129.35 8.603 V9H-N 124.7 9.401 I10H-N 120.0 8.47 D11H-N 125.3 10.002 N12H-N 118.7 8.483 S13H-N 114.54 8.47 E14H-N 119.75 8.642 Y15H-N 116.96 7.641 S16H-N 117.15 8.534 R17H-N 120.46 7.211 R17HE-NE 85.14 7.647 N18H-N 116.96 7.165 N18HD21-ND2 113.299 7.61 N18HD22-ND2 113.299 7.156 G19H-N 112.2 8.76 D20H-N 121.1 9.001 F21H-N 121.7 6.921 R23H-N 121.6 8.246 R23HE-NE 85.3 7.726 T24H-N 109.95 7.754 R25H-N 119.2 9.21 F26H-N 120.1 9.095 E27H-N 121.65 8.423 A28H-N 122.35 9.64 Q29H-N 121.6 7.705 I30H-N 123.3 7.625 D31H-N 119.3 8.189 S32H-N 115.85 7.533 V33H-N 125.65 9.007 E34H-N 120.1 7.852 F35H-N 118.4 7.4 I36H-N 120.27 9.08 F37H-N 120.356 9.0 Q38H-N 116.55 7.896 Q38HE21-NE2 111.776 7.033 Q38HE22-NE2 111.776 6.74 A39H-N 122.871 7.989 K40H-N 118.2 8.527 R41H-N 119.6 7.994 R41HE-NE 85.06 7.264 N42H-N 116.1 8.085 S43H-N 115.1 7.583 N44H-N 116.887 7.082 E46H-N 119.0 8.731 N47H-N 123.1 8.119 T48H-N 109.1 7.295 V49H-N 122.2 8.89 G50H-N 114.7 9.407 L51H-N 120.876 8.77 I52H-N 130.07 9.69 S53H-N 120.7 9.267 G54H-N 109.9 9.195 A55H-N 125.733 8.796 G56H-N 108.2 7.992 A57H-N 126.7 8.99 N58H-N 112.6 7.781 N58HD21-ND2 114.2 7.477 N58HD22-ND2 114.2 6.84 R60H-N 120.009 8.17 R60HE-NE 85.7 7.19 V61H-N 123.7 8.888 L62H-N 131.8 8.88 S63H-N 110.8 7.827 T64H-N 119.75 8.2 F65H-N 115.76 7.098 T66H-N 120.0 9.103 A67H-N 128.0 8.687 E68H-N 124.085 9.205 F69H-N 128.68 9.44 G70H-N 105.1 9.217 K71H-N 121.05 7.356 I72H-N 122.5 6.831 L73H-N 120.443 7.869 A74H-N 120.2 7.683 G75H-N 106.047 7.379 L76H-N 122.524 8.101 H77H-N 117.06 8.171 D78H-N 119.6 7.645 T79H-N 116.7 7.309 Q80H-N 124.4 8.495 Q80HE21-NE2 113.633 7.453 Q80HE22-NE2 113.633 6.783 I81H-N 124.95 8.176 E82H-N 125.7 8.76 G83H-N 108.4 8.838 K84H-N 120.53 8.021 L85H-N 121.3 8.98 H86H-N 130.0 8.7 M87H-N 121.8 7.966 A88H-N 121.05 8.806 T89H-N 115.847 8.797 A90H-N 123.9 8.97 L91H-N 117.668 8.52 Q92H-N 120.9 8.23 Q92HE21-NE2 111.41 7.136 Q92HE22-NE2 111.41 6.873 I93H-N 122.0 8.536 A94H-N 127.12 8.877 Q95H-N 119.749 8.64 Q95HE21-NE2 106.6 7.362 Q95HE22-NE2 106.6 6.02 T97H-N 117.061 8.287 L98H-N 123.22 8.354 K99H-N 123.3 8.298 H100H-N 114.4 7.258 R101H-N 121.5 7.48 R101HE-NE 84.3 6.91 Q102H-N 122.437 8.85 K104H-N 122.87 8.775 V105H-N 117.3 7.736 Q106H-N 117.9 7.235 H107H-N 122.2 8.774 Q108H-N 119.9 8.87 R109H-N 127.8 8.81 I110H-N 127.55 9.008 V111H-N 127.9 9.113 A112H-N 129.2 9.368 F113H-N 122.6 8.675 V114H-N 118.44 8.899 C115H-N 127.6 10.342 S116H-N 112.8 6.896 I118H-N 128.07 8.707 S119H-N 122.6 8.738 D120H-N 122.524 6.946 S121H-N 117.4 8.96 R122H-N 124.17 8.898 R122HE-NE 86.26 8.317 D123H-N 116.801 8.473 E124H-N 120.27 7.843 L125H-N 120.9 8.281 I126H-N 121.05 8.867 R127H-N 121.4 7.836 R127HE-NE 85.12 7.446 L128H-N 121.92 8.012 A129H-N 123.6 8.735 K130H-N 115.8 7.865 T131H-N 119.9 8.027 L132H-N 125.56 8.925 K133H-N 120.6 8.4 K134H-N 121.8 8.037 N135H-N 116.28 7.561 N136H-N 114.37 8.055 V137H-N 120.1 8.156 A138H-N 131.19 7.951 V139H-N 121.5 9.001 D140H-N 124.2 9.373 I141H-N 121.05 8.87 I142H-N 128.76 8.897 N143H-N 128.76 9.39 F144H-N 123.56 8.616 G145H-N 112.8 9.967 E146H-N 122.87 7.139 I147H-N 114.19 6.938 E148H-N 126.2 9.21 Q149H-N 115.9 7.916 Q149HE21-NE2 113.4 7.65 Q149HE22-NE2 113.4 6.97 N150H-N 114.0 7.52 T151H-N 117.7 7.805 E152H-N 121.05 8.469 L153H-N 121.6 8.168 L154H-N 118.19 8.111 D155H-N 122.5 9.092 E156H-N 120.5 7.696 F157H-N 121.4 8.578 I158H-N 120.8 8.859 A159H-N 122.2 8.016 A160H-N 119.5 7.61 V161H-N 117.7 7.806 N162H-N 120.5 7.86 Q165H-N 115.4 7.666 Q165HE21-NE2 112.98 7.607 Q165HE22-NE2 112.98 6.87 E166H-N 121.9 7.539 E167H-N 120.5 7.86 H170H-N 119.0 9.029 L171H-N 124.3 9.01 L172H-N 131.9 9.407 T173H-N 128.854 8.98 V174H-N 129.1 8.832 T175H-N 118.4 8.304 G177H-N 111.7 8.025 R179H-N 119.4 7.998 R179HE-NE 84.86 7.091 L180H-N 124.2 9.0 L181H-N 126.5 9.231 Y182H-N 116.107 9.26 E183H-N 121.74 6.27 N184H-N 117.4 7.485 I185H-N 120.0 7.767 A186H-N 123.3 8.325 S187H-N 109.1 6.902 S188H-N 119.6 7.816 I190H-N 116.367 7.344 I191H-N 116.45 6.983 L192H-N 121.76 8.112 E193H-N 122.62 8.28 E194H-N 123.478 8.52 G195H-N 111.1 8.57 S196H-N 116.3 8.242 S197H-N 118.5 8.509 G198H-N 111.25 8.471 M199H-N 120.36 8.282 G200H-N 110.818 8.48 A201H-N 124.35 8.14 F202H-N 120.1 8.29 G203H-N 111.5 8.363 G204H-N 109.2 8.03 S205H-N 116.3 8.39 G206H-N 112.052 8.548 G207H-N 115.9 7.98