Assignment w1 w2 M10H-N 120.315 8.655 S11H-N 116.102 8.188 D12H-N 121.824 8.25 Y13H-N 118.785 7.817 D14H-N 121.638 8.067 I15H-N 122.196 7.846 T17H-N 114.4 8.209 T18H-N 115.336 8.039 E19H-N 122.523 8.323 N20H-N 119.202 8.26 N20HD21-ND2 112.591 6.804 N20HD22-ND2 112.591 7.48 L21H-N 122.25 8.03 Y22H-N 119.957 8.016 F23H-N 120.858 7.976 E24H-N 121.627 8.128 G25H-N 109.412 7.883 A26H-N 123.38 8.034 M27H-N 118.299 8.189 G28H-N 108.712 7.898 F29H-N 120.134 7.881 T30H-N 115.184 8.985 G31H-N 114.144 9.039 R32H-N 121.237 8.213 R32HE-NE 83.76 7.405 K33H-N 123.763 8.332 I34H-N 118.061 8.762 S35H-N 115.919 8.122 L36H-N 123.133 8.493 D37H-N 121.887 7.962 F38H-N 121.168 8.707 Q39H-N 124.87 8.958 Q39HE21-NE2 113.265 6.637 Q39HE22-NE2 113.265 7.624 D40H-N 126.748 8.396 V41H-N 118.411 7.98 E42H-N 124.933 8.527 I43H-N 126.006 8.815 R44H-N 117.882 8.943 R44HE-NE 83.684 7.246 T45H-N 116.8 6.977 I46H-N 122.444 7.458 L47H-N 116.073 8.245 Q48H-N 118.286 7.435 Q48HE21-NE2 111.89 6.862 Q48HE22-NE2 111.89 7.429 I49H-N 123.021 8.044 L50H-N 119.417 8.41 A51H-N 124.486 8.562 K52H-N 119.261 7.638 E53H-N 115.919 8.127 S54H-N 110.984 7.586 G55H-N 110.918 7.619 M56H-N 119.458 7.856 N57H-N 120.625 8.505 N57HD21-ND2 110.96 6.745 N57HD22-ND2 110.96 6.999 I58H-N 123.136 7.427 V59H-N 129.962 8.999 A60H-N 130.085 8.819 S61H-N 118.968 8.437 D62H-N 124.19 8.947 S63H-N 111.107 7.854 V64H-N 123.305 7.486 N65H-N 125.037 7.942 N65HD21-ND2 114.066 6.804 N65HD22-ND2 114.066 7.388 G66H-N 107.515 8.602 K67H-N 118.325 8.312 M68H-N 117.77 8.773 T69H-N 119.464 8.219 L70H-N 127.641 8.874 S71H-N 120.898 8.588 L72H-N 125.804 8.777 K73H-N 125.139 8.636 D74H-N 126.493 8.377 V75H-N 117.096 8.614 W77H-N 123.571 8.589 W77HE1-NE1 129.412 10.316 D78H-N 118.545 8.595 Q79H-N 123.813 6.832 A80H-N 121.756 7.725 L81H-N 116.346 8.183 D82H-N 118.788 7.292 L83H-N 119.145 7.924 V84H-N 120.239 7.777 M85H-N 116.302 8.301 Q86H-N 117.309 8.651 Q86HE21-NE2 113.604 6.704 Q86HE22-NE2 113.604 7.738 A87H-N 120.254 7.793 R88H-N 112.548 7.244 R88HE-NE 83.292 7.418 N89H-N 118.305 7.683 N89HD21-ND2 112.227 7.502 N89HD22-ND2 112.227 6.862 L90H-N 116.982 8.574 D91H-N 119.396 8.785 M92H-N 115.97 8.694 R93H-N 121.547 8.699 R93HE-NE 85.453 7.755 Q94H-N 125.852 9.006 Q95H-N 127.684 8.837 Q95HE21-NE2 111.594 6.698 Q95HE22-NE2 111.594 7.394 G96H-N 117.22 9.047 N97H-N 124.894 8.732 N97HD21-ND2 111.65 6.8 N97HD22-ND2 111.65 7.466 I98H-N 120.2 7.868 V99H-N 127.027 8.528 N100H-N 126.193 8.691 N100HD21-ND2 110.643 6.68 N100HD22-ND2 110.643 6.993 I101H-N 123.276 8.526 A102H-N 128.675 8.402 R104H-N 124.538 8.642 R104HE-NE 83.948 7.218 D105H-N 117.005 8.788 E106H-N 121.016 7.466 L107H-N 119.615 7.547 L108H-N 120.127 7.84 A109H-N 121.693 7.617 K110H-N 119.496 7.802 D111H-N 120.429 8.011 K112H-N 119.992 7.867 A113H-N 122.842 7.912 F114H-N 118.673 7.924 L115H-N 122.063 7.847 Q116H-N 120.296 8.051 Q116HE21-NE2 112.202 6.766 Q116HE22-NE2 112.202 7.422 A117H-N 124.213 8.048 E118H-N 119.46 8.162 K119H-N 121.254 8.045 D120H-N 121.164 8.263 I121H-N 120.541 7.858 A122H-N 126.768 8.163 D123H-N 119.101 8.105 L124H-N 122.865 8.074 G125H-N 108.504 8.264 A126H-N 123.126 7.819 L127H-N 121.274 7.976 Y128H-N 124.543 7.427