Assignment w1 w2 A8H-N 123.721 8.163 T9H-N 113.761 8.142 L10H-N 123.516 8.218 K11H-N 125.141 8.496 L13H-N 124.34 8.41 D14H-N 120.493 8.25 G15H-N 108.67 8.428 I16H-N 120.267 7.727 H17H-N 125.061 9.101 V18H-N 127.069 8.427 T19H-N 126.619 9.272 I20H-N 128.114 8.737 L21H-N 125.457 8.902 H22H-N 122.595 8.577 K23H-N 120.814 8.712 E24H-N 117.859 8.36 E25H-N 124.543 9.146 G26H-N 115.394 8.242 A27H-N 122.323 7.432 G28H-N 107.593 8.624 L29H-N 115.495 7.934 G30H-N 103.121 8.669 F31H-N 115.404 7.044 S32H-N 113.639 8.752 L33H-N 118.936 8.639 A34H-N 124.395 9.41 G35H-N 103.65 8.13 G36H-N 122.114 8.217 A37H-N 123.418 8.963 D38H-N 111.48 10.586 L39H-N 122.545 7.789 E40H-N 118.036 8.331 N41H-N 115.196 7.89 N41HD21-ND2 112.492 7.685 N41HD22-ND2 112.492 6.774 K42H-N 120.612 7.943 V43H-N 118.284 7.456 I44H-N 127.089 8.481 T45H-N 116.832 8.906 V46H-N 118.542 8.336 H47H-N 133.9 9.382 R48H-N 114.736 7.135 V49H-N 122.844 8.69 F50H-N 128.498 7.866 N52H-N 116.145 8.814 N52HD21-ND2 113.642 7.609 N52HD22-ND2 113.642 6.971 G53H-N 106.196 7.73 L54H-N 118.836 8.764 A55H-N 118.782 7.593 S56H-N 117.631 9.339 Q57H-N 118.162 7.942 Q57HE21-NE2 111.334 7.269 Q57HE22-NE2 111.334 6.813 E58H-N 119.877 7.683 G59H-N 102.653 7.446 T60H-N 113.863 8.343 I61H-N 126.153 8.802 Q62H-N 123.73 7.124 Q62HE21-NE2 112.363 7.162 Q62HE22-NE2 112.363 6.71 K63H-N 121.381 8.399 G64H-N 113.75 9.265 N65H-N 117.999 7.594 N65HD21-ND2 110.866 7.739 N65HD22-ND2 110.866 7.256 E66H-N 122.233 8.538 V67H-N 126.311 8.452 L68H-N 127.175 9.0 S69H-N 110.346 7.666 I70H-N 119.579 7.965 N71H-N 126.963 9.839 N71HD21-ND2 111.444 7.893 N71HD22-ND2 111.444 7.813 G72H-N 103.02 8.911 K73H-N 122.413 7.922 S74H-N 118.737 8.585 L75H-N 125.425 8.015 K76H-N 124.064 8.099 G77H-N 115.659 8.859 T78H-N 112.847 7.654 T79H-N 114.123 8.813 H80H-N 122.776 10.266 H81H-N 114.733 9.335 D82H-N 121.407 7.741 A83H-N 125.049 8.502 L84H-N 117.139 8.1 A85H-N 122.448 7.715 I86H-N 121.804 7.669 L87H-N 121.947 7.922 R88H-N 119.343 8.317 Q89H-N 121.097 8.27 Q89HE21-NE2 110.938 7.371 Q89HE22-NE2 110.938 6.804 A90H-N 119.652 7.558 R91H-N 118.081 7.768 E92H-N 118.447 7.691 R94H-N 115.987 8.434 Q95H-N 115.998 7.246 Q95HE21-NE2 110.938 7.238 Q95HE22-NE2 110.938 6.802 A96H-N 126.197 8.739 V97H-N 120.702 8.568 I98H-N 131.738 9.753 V99H-N 129.537 8.493 T100H-N 117.469 9.05 R101H-N 117.532 8.773 R101HE-NE 83.412 7.274 K102H-N 126.899 8.616 L103H-N 126.246 8.424 T104H-N 117.263 8.201 E106H-N 120.609 8.519 A107H-N 124.849 8.241 M108H-N 121.025 8.284 D110H-N 120.239 8.417 L111H-N 123.318 8.279 N112H-N 118.752 8.487 N112HD21-ND2 112.8 7.622 N112HD22-ND2 112.8 6.942 S117H-N 116.464 8.532