Assignment w1 w2 D3H-N 122.422 8.581 K4H-N 121.129 8.307 Q5H-N 121.601 8.468 Q5HE21-NE2 112.533 6.897 Q5HE22-NE2 112.533 7.62 G6H-N 109.43 8.552 R7H-N 120.785 8.138 T8H-N 116.867 9.147 D9H-N 122.175 8.615 C10H-N 120.695 8.241 A12H-N 118.974 7.762 L13H-N 118.132 7.46 G16H-N 111.475 8.595 W17H-N 121.482 7.905 W17HE1-NE1 129.467 10.789 K18H-N 120.52 8.943 K19H-N 121.311 9.258 E20H-N 125.062 9.313 E21H-N 125.082 8.579 V22H-N 127.34 9.199 I23H-N 130.978 8.93 R24H-N 128.128 9.338 R24HH11-NH1 68.976 7.592 R24HH12-NH1 68.976 7.801 R24HE-NE 85.286 9.713 K25H-N 124.43 9.051 S26H-N 116.361 8.446 G27H-N 102.391 8.098 L28H-N 122.533 9.041 S29H-N 110.156 8.478 A30H-N 123.808 6.946 G31H-N 111.34 8.483 K32H-N 122.822 8.109 S33H-N 117.164 8.651 D34H-N 122.67 8.749 V35H-N 121.638 8.201 Y36H-N 122.741 8.658 Y37H-N 116.623 8.545 F38H-N 118.646 9.584 S39H-N 119.175 8.993 G42H-N 111.822 8.348 K43H-N 122.006 7.448 K44H-N 125.247 8.095 F45H-N 124.735 9.686 R46H-N 116.389 9.322 R46HE-NE 81.078 6.863 S47H-N 113.575 7.839 K48H-N 123.046 9.079 Q50H-N 116.028 7.478 Q50HE21-NE2 112.83 7.124 Q50HE22-NE2 112.83 7.786 L51H-N 121.951 8.065 A52H-N 120.939 9.015 R53H-N 117.626 8.011 Y54H-N 119.016 7.508 L55H-N 117.837 8.417 G56H-N 107.252 7.904 N57H-N 118.534 8.461 N57HD21-ND2 111.784 6.881 N57HD22-ND2 111.784 7.57 A58H-N 121.071 7.922 V59H-N 113.368 7.072 D60H-N 124.055 8.364 L61H-N 126.157 8.94 S62H-N 119.965 8.813 C63H-N 117.417 8.436 F64H-N 122.489 7.478 F66H-N 128.304 8.933 R67H-N 116.687 8.757 R67HH11-NH1 70.847 6.806 R67HH12-NH1 70.847 6.806 R67HE-NE 84.099 7.932 G69H-N 114.332 8.439 M71H-N 119.154 8.411 M72H-N 128.737 8.408