Assignment w1 w2 A1H-N 119.334 8.396 T2H-N 116.579 8.598 T4H-N 117.322 8.327 T6H-N 117.723 8.359 K8H-N 121.747 8.367 A9H-N 125.947 8.349 A10H-N 124.043 8.375 G11H-N 107.617 8.054 S12H-N 113.337 7.129 W13H-N 121.451 8.817 C14H-N 121.989 8.362 V15H-N 116.171 8.821 K17H-N 122.741 8.36 G19H-N 109.758 8.615 V20H-N 119.893 6.945 S21H-N 123.084 8.729 D22H-N 122.658 9.051 D23H-N 119.569 8.609 Q24H-N 120.659 7.74 L25H-N 119.772 8.24 T26H-N 117.722 8.701 G27H-N 109.28 7.699 N28H-N 122.194 8.068 N28HD21-ND2 106.203 6.171 N28HD22-ND2 106.203 7.9 I29H-N 121.433 8.095 N30H-N 117.328 8.167 Y31H-N 119.214 8.494 A32H-N 123.212 8.952 C33H-N 110.078 8.573 S34H-N 115.513 7.754 Q35H-N 119.429 7.543 Q35HE21-NE2 115.525 6.687 Q35HE22-NE2 115.525 6.734 G36H-N 106.695 8.181 I37H-N 110.013 6.542 D38H-N 120.143 8.454 C39H-N 121.898 8.663 G40H-N 111.711 9.019 I42H-N 103.902 6.969 Q43H-N 121.2 7.526 Q43HE21-NE2 111.0 6.926 Q43HE22-NE2 111.0 7.059 G45H-N 113.854 7.694 G46H-N 109.611 8.852 A47H-N 123.427 9.101 C48H-N 112.508 8.2 F49H-N 122.136 7.491 E50H-N 115.761 8.169 N52H-N 123.672 8.452 N52HD21-ND2 110.442 6.748 N52HD22-ND2 110.442 7.626 T53H-N 113.721 7.444 V54H-N 122.312 8.47 K55H-N 118.373 8.384 A56H-N 122.396 7.774 H57H-N 116.945 8.126 A58H-N 120.397 9.377 A59H-N 119.166 8.227 Y60H-N 113.686 7.508 V61H-N 113.943 7.973 M62H-N 122.131 9.176 N63H-N 116.601 7.913 N63HD21-ND2 112.8 7.901 N63HD22-ND2 112.8 7.502 L64H-N 120.002 8.049 Y65H-N 118.71 8.589 Y66H-N 120.94 8.147 Q67H-N 114.08 8.412 Q67HE21-NE2 115.2 8.269 Q67HE22-NE2 115.2 8.582 H68H-N 118.091 8.386 A69H-N 120.017 8.285 G70H-N 102.679 6.926 R71H-N 113.536 7.732 N72H-N 115.558 7.769 N72HD21-ND2 116.653 7.011 N72HD22-ND2 116.653 7.415 S73H-N 120.201 9.221 W74H-N 116.108 6.856 N75H-N 117.822 7.702 N75HD21-ND2 108.116 6.874 N75HD22-ND2 108.116 7.531 C76H-N 118.139 7.572 D77H-N 119.907 7.437 F78H-N 114.731 8.454 S79H-N 115.119 8.74 Q80H-N 111.795 8.312 Q80HE21-NE2 113.5 6.923 Q80HE22-NE2 113.5 7.795 T81H-N 106.889 7.936 A82H-N 124.079 7.533 T83H-N 115.663 9.293 L84H-N 124.593 7.739 T85H-N 115.982 9.196 N86H-N 123.175 8.437 T87H-N 120.593 8.486 N88H-N 128.224 8.258 N88HD21-ND2 116.6 7.842 S90H-N 112.076 7.484 Y91H-N 120.37 7.773 G92H-N 109.093 8.703 A93H-N 129.982 8.775 C94H-N 123.163 8.89 N95H-N 125.258 8.198 F96H-N 128.692 9.684 S98H-N 113.59 8.389 G99H-N 111.301 8.039 S100H-N 114.866 8.178 N101H-N 125.673 8.09 N101HD21-ND2 112.5 6.867 N101HD22-ND2 112.5 7.545