Assignment w1 w2 D3H-N 121.878 8.457 I4H-N 120.096 8.106 Y5H-N 121.865 7.766 K6H-N 120.951 7.979 A7H-N 120.849 7.879 A8H-N 120.255 7.451 V9H-N 119.501 7.943 E10H-N 118.577 7.669 Q11H-N 114.873 7.322 Q11HE21-NE2 112.514 7.483 Q11HE22-NE2 112.514 6.791 L12H-N 121.007 7.37 T13H-N 113.856 8.889 E14H-N 121.889 9.021 E15H-N 117.662 8.669 Q16H-N 119.497 7.854 Q16HE21-NE2 111.533 7.516 Q16HE22-NE2 111.533 6.779 K17H-N 119.284 8.595 N18H-N 117.76 8.616 N18HD21-ND2 111.933 7.629 N18HD22-ND2 111.933 7.021 E19H-N 123.762 7.917 F20H-N 117.467 8.31 K21H-N 122.374 8.962 A22H-N 121.871 7.91 A23H-N 119.61 8.028 F24H-N 121.869 8.984 D25H-N 117.339 8.725 I26H-N 119.207 7.159 F27H-N 125.829 8.238 V28H-N 105.119 7.636 L29H-N 126.495 7.173 G30H-N 114.23 8.99 A31H-N 124.608 8.243 E32H-N 126.062 9.355 D33H-N 114.958 8.085 G34H-N 105.692 7.431 C35H-N 114.304 7.349 I36H-N 120.228 9.008 S37H-N 125.602 9.359 T38H-N 110.956 8.807 K39H-N 123.813 8.011 E40H-N 120.549 7.788 L41H-N 119.279 8.537 G42H-N 106.233 8.482 K43H-N 120.081 7.115 V44H-N 119.982 7.529 M45H-N 118.056 8.704 R46H-N 119.079 8.053 M47H-N 122.759 7.796 L48H-N 117.96 7.431 G49H-N 107.539 7.866 Q50H-N 117.245 7.79 Q50HE21-NE2 112.523 7.197 Q50HE22-NE2 112.523 6.812 N51H-N 116.298 9.007 N51HD21-ND2 112.737 7.6 N51HD22-ND2 112.737 6.721 T53H-N 114.22 9.029 E55H-N 117.629 8.711 E56H-N 122.191 7.816 L57H-N 116.669 7.957 Q58H-N 117.328 7.762 Q58HE21-NE2 115.786 8.034 Q58HE22-NE2 115.786 6.594 E59H-N 119.884 8.022 M60H-N 118.253 8.118 I61H-N 118.723 7.482 D62H-N 119.612 8.628 E63H-N 116.863 7.519 V64H-N 110.524 7.378 D65H-N 121.418 7.68 E66H-N 130.252 9.26 D67H-N 117.544 8.456 G68H-N 111.531 8.167 S69H-N 118.565 8.814 G70H-N 116.529 10.555 T71H-N 109.137 7.694 V72H-N 121.121 8.818 D73H-N 129.219 9.205 F74H-N 117.987 8.385 D75H-N 117.892 7.572 E76H-N 121.136 8.306 F77H-N 123.063 8.819 L78H-N 119.995 8.123 V79H-N 117.097 6.853 M80H-N 119.723 7.522 M81H-N 119.38 8.039 V82H-N 117.182 7.837 R83H-N 121.073 7.998 C84H-N 116.874 8.138 M85H-N 119.995 8.092 K86H-N 119.188 7.859 D87H-N 120.593 8.157 D88H-N 121.759 8.359 S89H-N 116.367 8.298 K90H-N 122.146 8.273 G91H-N 108.855 8.129 A92H-N 123.756 8.123 G93H-N 108.133 8.308 A94H-N 123.807 8.101 G95H-N 108.39 8.41 V96H-N 119.194 7.893 R97H-N 122.51 7.934 I98H-N 121.667 7.376 S99H-N 119.907 8.246 A100H-N 129.105 8.667 D101H-N 116.334 8.43 A102H-N 122.197 7.838 M103H-N 117.292 7.775 M104H-N 116.71 8.477 Q105H-N 118.351 8.318 Q105HE21-NE2 112.309 7.516 Q105HE22-NE2 112.309 6.759 A106H-N 121.552 7.736 L107H-N 115.819 7.966 L108H-N 114.821 8.296 G109H-N 109.755 7.834 A110H-N 124.919 8.322 R111H-N 117.955 7.955 A112H-N 123.705 7.957 K113H-N 121.101 8.419 S115H-N 115.81 8.345 L116H-N 123.436 7.921 D117H-N 120.855 8.199 L118H-N 123.123 8.167 R119H-N 119.086 8.144 A120H-N 122.753 7.943 H121H-N 117.572 8.122 L122H-N 121.36 7.886 K123H-N 121.271 8.011 Q124H-N 121.271 8.179 Q124HE21-NE2 112.728 7.522 Q124HE22-NE2 112.728 6.868 V125H-N 122.114 8.139 K126H-N 126.154 8.364 K127H-N 124.992 8.451 E128H-N 123.638 8.518 D129H-N 127.229 8.007