Assignment w1 w2 D3H-N 121.954 8.453 I4H-N 119.937 8.128 Y5H-N 121.979 7.792 K6H-N 120.967 8.038 A7H-N 120.733 7.905 A8H-N 120.284 7.474 V9H-N 120.182 8.004 E10H-N 118.389 7.692 Q11H-N 114.814 7.342 Q11HE21-NE2 112.344 6.791 Q11HE22-NE2 112.344 7.509 L12H-N 121.143 7.424 T13H-N 114.169 8.975 E14H-N 121.813 9.047 E15H-N 117.92 8.648 Q16H-N 119.53 7.885 Q16HE21-NE2 111.57 6.803 Q16HE22-NE2 111.57 7.558 K17H-N 118.975 8.602 N18H-N 118.096 8.596 N18HD21-ND2 112.12 7.023 N18HD22-ND2 112.12 7.65 E19H-N 123.758 8.006 F20H-N 117.769 8.477 K21H-N 122.959 8.964 A22H-N 121.612 7.782 A23H-N 119.293 7.969 F24H-N 121.619 9.071 D25H-N 116.572 8.601 I26H-N 119.443 7.198 F27H-N 123.274 8.245 V28H-N 106.58 7.589 L29H-N 125.889 7.221 G30H-N 112.841 8.907 A31H-N 124.6 8.078 E32H-N 125.591 9.264 D33H-N 115.459 8.169 G34H-N 106.024 7.583 C35H-N 114.345 7.44 I36H-N 119.795 8.835 S37H-N 126.358 9.45 T38H-N 112.527 8.801 K39H-N 123.291 8.065 E40H-N 119.443 7.747 L41H-N 119.443 8.304 G42H-N 106.258 8.5 K43H-N 121.084 7.322 V44H-N 119.795 7.577 M45H-N 116.773 8.412 R46H-N 118.857 8.139 R46HE-NE 84.94 7.374 M47H-N 122.569 7.911 L48H-N 117.685 7.503 G49H-N 107.548 7.865 Q50H-N 118.425 8.028 Q50HE21-NE2 112.42 7.328 Q50HE22-NE2 112.42 6.822 N51H-N 116.806 8.763 N51HD21-ND2 112.57 6.738 N51HD22-ND2 112.57 7.563 T53H-N 114.404 8.959 E55H-N 117.568 8.803 E56H-N 121.963 7.845 L57H-N 119.289 8.18 Q58H-N 118.096 7.98 Q58HE21-NE2 112.491 6.814 Q58HE22-NE2 112.491 7.503 E59H-N 119.209 7.926 M60H-N 117.744 7.599 I61H-N 118.447 7.388 D62H-N 119.619 8.75 E63H-N 116.279 7.597 V64H-N 107.723 7.283 D65H-N 122.08 7.627 E66H-N 128.292 8.564 D67H-N 114.58 7.966 G68H-N 109.247 7.798 S69H-N 116.748 8.451 G70H-N 116.758 10.865 T71H-N 107.841 7.658 V72H-N 127.084 9.732 D73H-N 129.347 8.816 F74H-N 118.154 8.532 D75H-N 117.451 7.563 E76H-N 121.03 8.335 F77H-N 123.194 9.026 L78H-N 118.682 7.815 V79H-N 117.978 6.799 M80H-N 120.341 8.053 M81H-N 116.873 8.211 V82H-N 117.554 8.022 R83H-N 120.783 8.155 R83HE-NE 83.47 6.87 C84H-N 116.039 7.796 M85H-N 119.797 7.888 K86H-N 119.492 7.889 D87H-N 121.422 8.226 D88H-N 122.549 8.398 S89H-N 116.338 8.378 K90H-N 122.08 8.232 G91H-N 109.14 8.245 A92H-N 124.073 8.267 G93H-N 108.613 8.453 A94H-N 123.856 8.181 G95H-N 108.234 8.402 V96H-N 119.513 8.003 R97H-N 124.424 8.305 R97HE-NE 84.94 7.309 I98H-N 121.17 8.11 S99H-N 119.678 8.155 A100H-N 128.233 8.668 D101H-N 116.341 8.458 A102H-N 122.784 7.828 M103H-N 118.974 8.227 M104H-N 117.451 8.483 Q105H-N 118.447 8.154 Q105HE21-NE2 115.61 6.643 Q105HE22-NE2 115.61 8.073 A106H-N 121.729 7.875 L107H-N 116.53 8.01 L108H-N 116.26 8.256 G109H-N 109.073 7.898 A110H-N 124.471 8.239 R111H-N 117.382 8.174 A112H-N 123.748 8.01 K113H-N 120.622 8.323 E114H-N 121.034 8.576 S115H-N 115.827 8.258 L116H-N 123.773 8.05 D117H-N 120.908 8.281 L118H-N 123.194 8.195 R119H-N 119.268 8.173 A120H-N 122.784 7.981 H121H-N 118.083 8.044 L122H-N 121.67 7.935 K123H-N 121.232 8.072 Q124H-N 121.423 8.224 V125H-N 122.139 8.165 K126H-N 126.124 8.379 K127H-N 124.977 8.467 E128H-N 123.656 8.544 D129H-N 127.284 8.033