Assignment w1 w2 D3H-N 121.842 8.456 I4H-N 120.255 8.133 Y5H-N 121.869 7.811 K6H-N 121.265 7.996 A7H-N 120.826 7.849 A8H-N 120.287 7.449 V9H-N 119.34 7.935 E10H-N 118.538 7.629 Q11H-N 114.854 7.326 Q11HE21-NE2 112.477 7.479 Q11HE22-NE2 112.477 6.786 L12H-N 121.027 7.357 T13H-N 113.774 8.867 E14H-N 121.976 9.027 E15H-N 117.591 8.669 Q16H-N 119.428 7.847 Q16HE21-NE2 111.485 7.509 Q16HE22-NE2 111.485 6.774 K17H-N 119.378 8.601 N18H-N 117.616 8.642 N18HD21-ND2 111.811 7.629 N18HD22-ND2 111.811 7.004 E19H-N 123.786 7.908 F20H-N 117.386 8.225 K21H-N 122.266 8.965 A22H-N 121.954 7.962 A23H-N 119.633 8.007 F24H-N 121.761 8.939 D25H-N 117.444 8.775 I26H-N 119.32 7.172 F27H-N 125.529 8.18 V28H-N 105.074 7.619 L29H-N 126.526 7.161 G30H-N 114.261 8.993 A31H-N 124.63 8.232 E32H-N 125.996 9.348 D33H-N 114.985 8.088 G34H-N 105.694 7.427 C35H-N 114.434 7.348 I36H-N 120.247 9.045 S37H-N 125.361 9.271 T38H-N 110.823 8.762 K39H-N 123.713 7.994 E40H-N 120.507 7.798 L41H-N 119.171 8.51 G42H-N 105.989 8.456 K43H-N 119.93 7.072 V44H-N 119.936 7.538 M45H-N 117.96 8.729 R46H-N 118.859 8.0 M47H-N 122.703 7.778 L48H-N 117.94 7.481 G49H-N 107.523 7.865 Q50H-N 117.466 7.802 Q50HE21-NE2 112.329 7.203 Q50HE22-NE2 112.329 6.819 N51H-N 116.388 9.008 N51HD21-ND2 112.745 7.6 N51HD22-ND2 112.745 6.713 T53H-N 114.381 9.043 E55H-N 117.692 8.719 E56H-N 122.139 7.842 L57H-N 116.804 8.007 Q58H-N 117.382 7.752 Q58HE21-NE2 116.314 6.803 Q58HE22-NE2 116.314 8.019 E59H-N 119.818 8.063 M60H-N 119.357 8.179 I61H-N 118.374 7.494 D62H-N 119.561 8.741 E63H-N 117.956 7.712 V64H-N 112.226 7.223 D65H-N 121.846 7.873 E66H-N 130.104 9.039 D67H-N 117.839 8.497 G68H-N 111.548 8.209 S69H-N 118.663 8.833 G70H-N 116.629 10.568 T71H-N 109.128 7.674 V72H-N 121.196 8.827 D73H-N 129.088 9.099 F74H-N 117.911 8.341 D75H-N 118.087 7.588 E76H-N 121.182 8.322 F77H-N 123.065 8.793 L78H-N 120.328 8.266 V79H-N 116.835 6.947 M80H-N 119.722 7.376 M81H-N 120.106 8.136 V82H-N 117.319 7.89 R83H-N 120.809 7.817 C84H-N 117.264 8.234 M85H-N 120.429 8.209 K86H-N 118.935 7.737 D87H-N 120.12 8.15 D88H-N 120.671 8.353 S89H-N 116.751 8.298 K90H-N 122.535 8.376 G91H-N 108.248 7.934 A92H-N 123.713 8.111 G93H-N 108.101 8.267 A94H-N 123.65 7.931 G95H-N 108.385 8.416 V96H-N 119.201 7.85 R97H-N 122.37 7.954 I98H-N 121.452 7.402 S99H-N 119.897 8.305 A100H-N 129.653 8.683 D101H-N 116.474 8.454 A102H-N 122.1 7.81 M103H-N 117.23 7.781 M104H-N 116.641 8.449 Q105H-N 118.343 8.305 Q105HE21-NE2 112.275 7.504 Q105HE22-NE2 112.275 6.751 A106H-N 121.565 7.77 L107H-N 115.798 7.948 L108H-N 114.808 8.284 G109H-N 109.898 7.842 A110H-N 125.064 8.341 R111H-N 117.859 7.944 A112H-N 123.67 7.937 K113H-N 121.221 8.43 E114H-N 122.0 8.843 S115H-N 115.877 8.392 L116H-N 123.237 7.859 D117H-N 120.816 8.16 L118H-N 123.009 8.134 R119H-N 119.082 8.129 A120H-N 122.67 7.934 H121H-N 117.622 8.107 L122H-N 121.282 7.905 K123H-N 120.86 7.98 Q124H-N 121.222 8.162 Q124HE21-NE2 112.748 7.523 Q124HE22-NE2 112.748 6.865 V125H-N 122.12 8.133 K126H-N 126.189 8.366 K127H-N 125.007 8.459 E128H-N 123.651 8.526 D129H-N 127.227 8.009