Assignment w1 w2 A2H-N 128.9 8.763 I4H-N 121.3 8.242 A5H-N 131.4 8.744 I6H-N 118.3 7.737 T7H-N 108.1 8.279 C8H-N 115.2 8.605 F9H-N 113.7 8.008 T10H-N 117.4 7.357 R11H-N 130.5 10.007 R11HE-NE 85.2 7.751 G12H-N 110.7 7.949 L13H-N 114.8 7.734 D14H-N 118.0 7.756 I15H-N 119.5 7.252 R16H-N 121.8 8.416 R16HE-NE 85.4 7.172 K17H-N 118.3 7.264 E18H-N 122.4 8.874 K19H-N 117.4 7.481 A20H-N 124.4 8.646 D21H-N 122.0 8.25 V22H-N 116.5 9.16 L23H-N 122.5 8.623 C24H-N 126.1 8.55 G26H-N 104.8 8.263 G27H-N 106.2 8.134 C28H-N 121.8 8.706 L30H-N 129.0 8.515 E31H-N 115.0 9.165 E32H-N 115.9 7.314 F33H-N 117.5 7.198 S34H-N 120.8 8.936 V35H-N 126.4 8.314 Y36H-N 126.6 8.464 G37H-N 110.4 7.53 N38H-N 113.3 7.234 N38HD21-ND2 114.2 7.719 N38HD22-ND2 114.2 7.023 I39H-N 121.5 7.501 V40H-N 122.9 8.376 Y41H-N 124.8 8.603 A42H-N 123.8 7.615 S43H-N 118.9 8.99 V44H-N 115.1 5.776 S45H-N 121.0 8.333 S46H-N 115.9 8.268 I47H-N 131.0 8.665 C48H-N 118.7 9.601 G49H-N 109.7 8.21 A50H-N 125.7 7.809 A51H-N 119.3 8.278 V52H-N 121.3 7.964 H53H-N 123.8 8.586 H53HE2-ND1 165.1 11.346 R54H-N 117.3 9.043 R54HE-NE 85.4 7.537 G55H-N 106.3 7.805 V56H-N 118.5 7.983 I57H-N 108.9 6.859 S58H-N 116.7 8.73 N59H-N 117.5 9.026 N59HD21-ND2 111.2 7.477 N59HD22-ND2 111.2 7.247 S60H-N 114.7 8.263 G61H-N 109.0 7.979 G62H-N 107.4 8.263 V64H-N 118.9 8.774 R65H-N 126.7 8.668 R65HE-NE 86.0 8.235 V66H-N 125.6 8.98 Y67H-N 124.5 8.542 S68H-N 118.6 8.689 L69H-N 126.3 8.738 G71H-N 111.7 8.812 R72H-N 117.7 7.607 R72HE-NE 84.6 6.866 E73H-N 115.3 7.968 N74H-N 114.3 8.141 N74HD21-ND2 114.5 6.877 N74HD22-ND2 114.5 7.592 Y75H-N 119.6 8.52 S76H-N 119.6 8.003 S77H-N 112.1 7.987 V78H-N 128.3 8.871 D79H-N 133.6 9.342 A80H-N 129.9 9.146 N81H-N 116.1 8.984 N81HD21-ND2 117.1 7.128 N81HD22-ND2 117.1 7.066 G82H-N 102.2 8.576 I83H-N 121.3 8.052 Q84H-N 128.0 8.867 Q84HE21-NE2 112.8 7.527 Q84HE22-NE2 112.8 6.752 S85H-N 126.0 8.718 Q86H-N 121.1 9.281 Q86HE21-NE2 112.3 7.238 Q86HE22-NE2 112.3 6.856 M87H-N 118.4 8.51 L88H-N 121.0 7.699 S89H-N 122.5 8.744 R90H-N 116.3 7.461 R90HE-NE 84.6 7.423 W91H-N 121.6 8.428 W91HE1-NE1 127.4 9.347 S92H-N 116.5 6.44 A93H-N 121.3 7.611 S94H-N 114.9 8.433 F95H-N 118.3 9.433 T96H-N 112.5 9.167 V97H-N 115.3 8.358 T98H-N 114.3 9.19 L99H-N 124.6 8.308 E100H-N 125.8 8.18