Assignment w1 w2 D2H-N 120.76 8.69 D3H-N 121.724 8.456 I4H-N 120.096 8.106 Y5H-N 121.865 7.787 K6H-N 121.052 8.01 A7H-N 120.786 7.888 A8H-N 120.2 7.474 V9H-N 119.438 7.969 E10H-N 118.559 7.702 Q11H-N 114.926 7.346 Q11HE21-NE2 112.402 7.492 Q11HE22-NE2 112.402 6.804 L12H-N 121.02 7.381 T13H-N 113.871 8.895 E14H-N 121.899 9.041 E15H-N 117.68 8.672 Q16H-N 119.497 7.854 Q16HE21-NE2 111.514 7.529 Q16HE22-NE2 111.514 6.8 K17H-N 119.204 8.601 N18H-N 117.856 8.624 N18HD21-ND2 111.952 7.648 N18HD22-ND2 111.952 7.021 E19H-N 123.775 7.939 F20H-N 117.563 8.352 K21H-N 122.427 8.978 A22H-N 121.841 7.92 A23H-N 119.571 8.051 F24H-N 121.841 8.999 D25H-N 117.329 8.723 I26H-N 119.204 7.167 F27H-N 125.826 8.232 V28H-N 105.198 7.65 L29H-N 126.412 7.178 G30H-N 114.261 8.993 A31H-N 124.607 8.264 E32H-N 125.943 9.368 D33H-N 114.867 8.05 G34H-N 105.843 7.426 C35H-N 114.223 7.384 I36H-N 119.731 8.896 S37H-N 126.587 9.492 T38H-N 111.0 8.755 K39H-N 123.833 8.026 E40H-N 120.376 7.786 L41H-N 119.204 8.532 G42H-N 106.253 8.5 K43H-N 120.083 7.126 V44H-N 119.907 7.539 M45H-N 118.09 8.726 R46H-N 119.087 8.065 R46HE-NE 85.05 7.34 M47H-N 122.72 7.797 L48H-N 117.973 7.455 G49H-N 107.601 7.876 Q50H-N 117.265 7.803 Q50HE21-NE2 112.408 7.199 Q50HE22-NE2 112.408 6.819 N51H-N 116.346 9.011 N51HD21-ND2 112.696 7.607 N51HD22-ND2 112.696 6.735 T53H-N 114.201 9.028 E55H-N 117.641 8.692 E56H-N 122.164 7.82 L57H-N 116.743 7.986 Q58H-N 117.351 7.774 Q58HE21-NE2 115.608 8.015 Q58HE22-NE2 115.608 6.667 E59H-N 119.848 8.049 M60H-N 118.618 8.15 I61H-N 118.208 7.445 D62H-N 119.438 8.677 E63H-N 117.153 7.624 V64H-N 107.835 7.217 D65H-N 122.427 7.73 E66H-N 128.697 8.114 D67H-N 114.516 8.039 G68H-N 109.183 7.747 S69H-N 117.211 8.559 G70H-N 116.716 10.777 T71H-N 106.85 7.535 V72H-N 127.01 9.55 D73H-N 129.4 8.808 F74H-N 117.973 8.407 D75H-N 118.149 7.609 E76H-N 120.727 8.497 F77H-N 123.247 8.887 L78H-N 119.995 8.123 V79H-N 117.094 6.885 M80H-N 119.614 7.556 M81H-N 119.23 8.05 V82H-N 117.211 7.854 R83H-N 121.112 8.043 R83HE-NE 84.33 6.97 C84H-N 116.846 8.124 M85H-N 119.995 8.092 K86H-N 119.169 7.871 D87H-N 120.663 8.167 D88H-N 121.841 8.364 S89H-N 116.332 8.309 K90H-N 122.164 8.268 G91H-N 108.89 8.156 A92H-N 123.79 8.127 G93H-N 108.128 8.308 A94H-N 123.842 8.116 G95H-N 108.421 8.412 V96H-N 119.204 7.909 R97H-N 122.636 7.951 R97HE-NE 84.5 7.2 I98H-N 121.665 7.378 S99H-N 119.907 8.246 A100H-N 129.107 8.68 D101H-N 116.332 8.436 A102H-N 122.128 7.833 M103H-N 117.252 7.777 M104H-N 116.684 8.486 Q105H-N 118.383 8.33 Q105HE21-NE2 112.228 7.522 Q105HE22-NE2 112.228 6.764 A106H-N 121.566 7.749 L107H-N 115.81 7.961 L108H-N 114.867 8.303 G109H-N 109.828 7.854 A110H-N 124.98 8.346 R111H-N 117.915 7.97 R111HE-NE 84.7 7.45 A112H-N 123.657 7.957 K113H-N 121.02 8.418 E114H-N 121.5 8.79 S115H-N 115.805 8.351 L116H-N 123.42 7.94 D117H-N 120.813 8.211 L118H-N 123.095 8.17 R119H-N 119.145 8.149 A120H-N 122.603 7.951 H121H-N 117.329 8.16 L122H-N 121.489 7.953 K123H-N 121.248 8.046 Q124H-N 121.372 8.202 Q124HE21-NE2 112.679 7.539 Q124HE22-NE2 112.679 6.883 V125H-N 122.134 8.146 K126H-N 126.06 8.371 K127H-N 124.929 8.459 E128H-N 123.657 8.536 D129H-N 127.232 8.017