Assignment w1 w2 A2H-N 123.67 8.639 M3H-N 120.346 8.494 A4H-N 125.718 8.351 N5H-N 119.615 8.528 N5HD21-ND2 112.562 7.761 N5HD22-ND2 112.562 7.892 K7H-N 117.562 8.65 T8H-N 109.739 7.837 I9H-N 114.865 9.197 K10H-N 122.304 8.895 A11H-N 128.144 8.782 A12H-N 116.717 8.958 A13H-N 120.308 6.904 Y14H-N 120.064 8.106 N15H-N 117.679 8.779 N15HD21-ND2 107.552 7.519 N15HD22-ND2 107.552 7.519 Q16H-N 122.509 8.025 Q16HE21-NE2 111.898 7.34 Q16HE22-NE2 111.898 6.895 A17H-N 124.563 8.625 R18H-N 117.707 8.829 R18HH11-NH1 71.471 6.579 R18HE-NE 83.625 7.22 S19H-N 114.926 7.756 T20H-N 119.814 8.583 L21H-N 120.661 8.129 A22H-N 124.804 8.974 D23H-N 119.432 8.958 A24H-N 119.996 7.407 G25H-N 104.205 7.819 S26H-N 113.894 8.315 R27H-N 106.45 11.398 R27HE-NE 84.991 7.234 T28H-N 114.151 9.261 A29H-N 126.249 8.143 A30H-N 118.517 7.488 K31H-N 114.835 7.6 S32H-N 117.384 7.364 H33H-N 121.835 8.869 I35H-N 123.893 9.93 H36H-N 125.201 8.883 G37H-N 110.589 8.793 K38H-N 117.315 7.458 T39H-N 114.966 8.55 D40H-N 121.785 8.14 V41H-N 113.361 9.132 V43H-N 122.834 7.909 S44H-N 116.963 8.279 Y45H-N 123.131 8.267 G46H-N 106.525 7.826 T47H-N 114.645 8.808 S48H-N 117.896 8.215 L49H-N 123.809 7.157 L50H-N 117.204 7.705 A51H-N 120.779 8.529 A52H-N 118.072 7.946 A53H-N 120.112 7.454 R54H-N 118.007 8.677 R54HE-NE 83.715 7.153 D55H-N 118.285 8.354 E56H-N 122.257 7.974 F57H-N 120.757 9.004 R58H-N 117.885 8.862 R58HE-NE 83.41 6.952 Q59H-N 117.433 7.736 Q59HE21-NE2 112.115 6.983 Q59HE22-NE2 112.115 7.552 A60H-N 122.119 8.398 D61H-N 116.391 8.462 K62H-N 120.473 7.198 K63H-N 114.856 8.589 L64H-N 121.742 7.639 A66H-N 126.013 8.714 K67H-N 113.766 8.477 D68H-N 118.12 7.908 K69H-N 118.172 7.5 K70H-N 120.764 9.3 S71H-N 121.826 9.23 D72H-N 110.891 9.101 M73H-N 116.586 8.037 S74H-N 117.35 10.404 I75H-N 121.708 8.096 A76H-N 120.502 8.573 H77H-N 119.119 7.925 Y78H-N 122.875 9.471 N79H-N 119.127 9.259 N79HD21-ND2 110.892 6.883 N79HD22-ND2 110.892 7.682 A80H-N 124.549 7.968 V81H-N 118.191 8.358 H82H-N 115.938 8.447 S83H-N 116.378 8.652 A84H-N 124.208 8.359 A85H-N 120.06 8.106 K86H-N 119.251 8.009 T87H-N 118.889 8.601 M88H-N 115.319 7.301 G89H-N 108.661 8.033 I90H-N 118.792 7.899 D91H-N 124.017 8.609 T92H-N 114.339 8.284 W93H-N 126.688 7.549 W93HE1-NE1 126.626 9.419