Assignment w1 w2 D2H-N 121.7 8.64 C3H-N 118.1 8.03 Y4H-N 120.8 7.8 T5H-N 113.4 9.83 E6H-N 119.7 9.06 L7H-N 121.1 8.89 E8H-N 118.3 8.02 K9H-N 116.3 8.71 A10H-N 122.7 7.94 V11H-N 118.6 8.2 I12H-N 119.3 8.19 V13H-N 120.2 7.87 L14H-N 121.7 8.13 V15H-N 123.4 9.04 E16H-N 119.3 9.54 N17H-N 119.1 8.62 N17HD21-ND2 113.1 8.02 N17HD22-ND2 113.1 6.68 F18H-N 119.2 7.42 Y19H-N 115.2 7.62 K20H-N 120.7 8.05 Y21H-N 114.4 7.2 S23H-N 120.9 8.21 K24H-N 121.2 7.51 Y25H-N 119.3 7.96 S26H-N 116.0 7.92 L27H-N 123.1 8.17 V28H-N 119.3 7.86 K29H-N 123.8 8.33 N30H-N 116.7 8.28 N30HD21-ND2 112.8 7.59 N30HD22-ND2 112.8 6.91 K31H-N 119.9 8.03 I32H-N 126.6 8.72 S33H-N 119.4 8.38 S35H-N 115.0 8.27 S36H-N 119.5 8.45 F37H-N 121.6 8.43 R38H-N 117.2 7.85 R38HE-NE 124.8 7.34 E39H-N 120.7 7.73 M40H-N 118.9 7.58 L41H-N 117.9 7.55 Q42H-N 115.0 7.41 Q42HE21-NE2 111.1 7.35 Q42HE22-NE2 111.1 6.73 K43H-N 115.9 8.14 E44H-N 112.6 8.53 L45H-N 117.5 7.09 N46H-N 114.2 7.2 N46HD21-ND2 111.6 7.29 N46HD22-ND2 111.6 6.36 H47H-N 118.2 9.5 M48H-N 119.1 8.24 L49H-N 117.5 7.8 S50H-N 114.3 7.49 D51H-N 121.6 8.14 T52H-N 116.9 8.26 G53H-N 110.3 8.3 N54H-N 120.7 8.2 N54HD21-ND2 112.1 7.77 N54HD22-ND2 112.1 6.96 R55H-N 122.3 8.37 R55HE-NE 124.9 7.67 K56H-N 119.2 8.22 A57H-N 122.2 7.79 A58H-N 120.9 7.96 D59H-N 117.5 7.97 K60H-N 119.4 7.47 L61H-N 119.1 7.5 I62H-N 117.8 7.96 Q63H-N 119.8 7.86 Q63HE21-NE2 113.1 7.31 Q63HE22-NE2 113.1 6.74 N64H-N 115.4 7.32 N64HD21-ND2 113.1 7.56 N64HD22-ND2 113.1 6.96 L65H-N 120.5 6.98 D66H-N 114.4 8.12 A67H-N 129.5 7.52 N68H-N 110.4 7.69 N68HD21-ND2 112.5 7.91 N68HD22-ND2 112.5 6.57 H69H-N 113.7 7.65 D70H-N 117.2 8.14 G71H-N 112.4 10.23 R72H-N 119.1 8.08 R72HE-NE 125.0 7.09 I73H-N 126.4 9.04 S74H-N 122.6 8.9 F75H-N 122.8 9.17 D76H-N 115.6 8.46 E77H-N 121.9 7.47 Y78H-N 122.2 7.86 W79H-N 123.0 9.22 T80H-N 117.5 8.23 L81H-N 122.3 8.36 I82H-N 115.6 7.65 G83H-N 110.2 8.12 G84H-N 111.1 8.1 I85H-N 119.5 7.33 T86H-N 113.8 7.38 G87H-N 107.3 7.94 I89H-N 107.7 7.09 A90H-N 127.3 7.52 K91H-N 116.5 8.26 L92H-N 120.4 7.19 I93H-N 120.0 8.49 H94H-N 116.1 8.17 E95H-N 118.3 8.27 Q96H-N 118.8 8.07 Q96HE21-NE2 110.6 7.49 Q96HE22-NE2 110.6 6.71 E97H-N 119.2 8.04 Q98H-N 118.0 7.79 Q98HE21-NE2 111.9 7.45 Q98HE22-NE2 111.9 6.77 Q99H-N 118.8 7.8 Q99HE21-NE2 111.8 7.45 Q99HE22-NE2 111.8 6.81 S100H-N 115.7 8.05 S101H-N 117.8 8.19 S102H-N 122.9 7.95