Assignment w1 w2 D2H-N 120.8 8.66 D3H-N 121.612 8.479 I4H-N 120.029 8.079 Y5H-N 121.635 7.857 K6H-N 121.319 7.916 A7H-N 120.967 7.964 A8H-N 120.682 7.627 V9H-N 119.063 7.985 E10H-N 118.857 7.818 Q11H-N 115.491 7.458 Q11HE21-NE2 112.5 6.82 Q11HE22-NE2 112.5 7.51 L12H-N 120.805 7.417 T13H-N 113.994 8.873 E14H-N 121.797 8.998 E15H-N 117.78 8.572 Q16H-N 119.736 7.799 Q16HE21-NE2 111.5 6.82 Q16HE22-NE2 111.5 7.61 K17H-N 117.867 8.32 N18H-N 117.334 8.442 N18HD21-ND2 112.183 7.62 N18HD22-ND2 112.183 7.0 E19H-N 123.517 8.024 F20H-N 119.3 8.664 K21H-N 121.384 8.775 A22H-N 120.108 7.793 A23H-N 118.761 7.436 F24H-N 119.326 8.323 D25H-N 115.634 8.766 I26H-N 119.302 7.329 L29H-N 124.165 7.932 G30H-N 108.946 8.346 A31H-N 124.063 8.056 D33H-N 117.861 8.126 G34H-N 106.903 8.075 C35H-N 115.184 7.634 T38H-N 117.979 8.669 K39H-N 120.388 8.06 E40H-N 116.632 7.598 L41H-N 119.289 7.343 G42H-N 105.848 8.703 K43H-N 121.07 7.386 V44H-N 119.967 7.504 M45H-N 117.041 8.287 R46H-N 118.975 7.993 M47H-N 121.963 7.947 L48H-N 117.432 7.375 G49H-N 107.196 7.803 Q50H-N 118.307 8.141 Q50HE21-NE2 112.9 7.338 Q50HE22-NE2 112.9 6.843 N51H-N 117.359 8.734 N51HD21-ND2 112.8 7.515 N51HD22-ND2 112.8 6.75 T53H-N 114.99 8.955 E55H-N 117.568 8.842 E56H-N 122.139 7.853 L57H-N 120.088 8.41 Q58H-N 117.829 8.023 Q58HE21-NE2 112.5 7.5 Q58HE22-NE2 112.5 6.82 E59H-N 118.154 7.739 M60H-N 117.453 7.638 I61H-N 120.44 8.121 D62H-N 119.502 8.596 E63H-N 116.594 7.404 V64H-N 113.754 7.608 D65H-N 122.341 8.434 E66H-N 123.886 8.256 D67H-N 116.162 8.494 G68H-N 110.419 7.96 S69H-N 118.916 9.128 G70H-N 114.345 10.347 T71H-N 112.118 7.901 V72H-N 115.632 8.762 D73H-N 124.835 8.79 F74H-N 118.933 8.664 D75H-N 117.969 7.793 E76H-N 120.701 8.343 F77H-N 121.912 8.667 L78H-N 118.916 8.123 V79H-N 117.637 7.0 M80H-N 118.638 7.535 M81H-N 117.451 8.055 V82H-N 116.741 7.987 R83H-N 120.733 7.808 R83HE-NE 84.44 7.125 C84H-N 116.689 7.811 M85H-N 118.389 7.796 K86H-N 119.908 7.764 D87H-N 121.422 8.227 D88H-N 122.78 8.388 S89H-N 116.572 8.42 K90H-N 121.963 8.179 G91H-N 109.13 8.231 A92H-N 123.677 8.145 G93H-N 108.368 8.463 A94H-N 124.106 8.261 G95H-N 108.075 8.393 V96H-N 119.717 7.946 R97H-N 125.069 8.386 I98H-N 122.373 8.238 S99H-N 120.264 8.35 A100H-N 126.749 8.698 D101H-N 118.037 8.313 A102H-N 123.6 8.023 M103H-N 118.916 8.225 M104H-N 119.096 8.224 Q105H-N 118.623 8.188 Q105HE21-NE2 116.845 8.012 Q105HE22-NE2 116.845 6.826 A106H-N 122.664 7.935 L107H-N 119.443 8.005 L108H-N 119.343 8.132 G109H-N 108.134 8.105 A110H-N 123.86 8.056 R111H-N 118.623 8.086 A112H-N 123.86 8.057 K113H-N 119.971 8.149 E114H-N 120.615 8.318 S115H-N 115.927 8.164 L116H-N 124.049 8.142 D117H-N 121.026 8.297 L118H-N 123.324 8.183 R119H-N 119.209 8.152 A120H-N 122.901 7.981 H121H-N 117.392 8.156 L122H-N 121.787 7.894 K123H-N 121.201 8.065 Q124H-N 121.117 8.219 Q124HE21-NE2 112.7 7.54 Q124HE22-NE2 112.7 6.88 V125H-N 122.139 8.155 K126H-N 126.081 8.374 K127H-N 124.952 8.457 E128H-N 123.663 8.531 D129H-N 127.254 8.023