Assignment w1 w2 D9H-N 119.78 7.76 K10H-N 122.25 8.38 R11H-N 118.57 7.92 K12H-N 118.98 7.58 L13H-N 121.25 7.82 L14H-N 120.41 8.38 D15H-N 119.39 7.95 E16H-N 122.83 7.93 L17H-N 119.26 8.77 R18H-N 119.45 8.56 S19H-N 115.34 7.71 I20H-N 122.36 8.55 Y21H-N 121.47 9.07 R22H-N 116.39 7.87 T23H-N 114.02 7.49 I24H-N 121.35 8.05 V25H-N 117.38 7.85 L26H-N 117.1 8.1 E27H-N 115.73 7.86 Y28H-N 121.01 7.87 F29H-N 111.41 8.29 N30H-N 119.85 7.76 N30HD21-ND2 111.33 6.91 N30HD22-ND2 111.33 7.77 D32H-N 120.25 8.26 A33H-N 121.98 7.53 K34H-N 121.51 8.44 V35H-N 120.07 7.77 N36H-N 120.18 8.51 N36HD21-ND2 113.18 6.97 N36HD22-ND2 113.18 7.68 E37H-N 119.22 7.88 R38H-N 119.62 7.33 I39H-N 120.25 8.22 D40H-N 119.48 7.94 E41H-N 121.39 7.61 F42H-N 118.98 8.44 V43H-N 116.03 9.22 S44H-N 114.98 8.27 K45H-N 120.81 7.75 A46H-N 121.28 8.73 F47H-N 119.29 8.82 F48H-N 119.14 8.08 A49H-N 118.26 7.57 D50H-N 118.17 7.87 I51H-N 114.49 7.37 S52H-N 119.89 8.56 V53H-N 122.36 8.88 S54H-N 115.65 8.35 Q55H-N 120.81 7.53 Q55HE21-NE2 112.1 6.7 Q55HE22-NE2 112.1 7.51 V56H-N 120.14 7.48 L57H-N 118.38 7.95 E58H-N 117.3 7.92 I59H-N 120.39 7.65 H60H-N 120.16 7.79 V61H-N 117.88 8.75 E62H-N 119.62 8.15 L63H-N 120.73 7.76 M64H-N 118.09 8.63 D65H-N 120.99 8.41 T66H-N 115.61 7.84 F67H-N 121.72 8.65 S68H-N 115.89 8.95 K69H-N 119.43 7.72 Q70H-N 118.88 7.61 Q70HE21-NE2 111.1 6.62 Q70HE22-NE2 111.1 7.72 L71H-N 120.0 8.56 K72H-N 118.49 8.1 L73H-N 121.13 7.72 E74H-N 116.57 7.73 G75H-N 108.97 7.99 R76H-N 119.41 8.08 S77H-N 115.53 8.38 E78H-N 122.05 8.81 D79H-N 121.35 8.38 I80H-N 116.96 7.41 L86H-N 116.73 7.75 T87H-N 114.42 6.41 L88H-N 120.24 7.11 I89H-N 117.81 7.78 D90H-N 120.36 8.16 V91H-N 118.72 8.45 I92H-N 116.07 8.87 A93H-N 123.72 9.43 H94H-N 113.53 7.84 L95H-N 122.31 8.49 C96H-N 116.52 9.13 E97H-N 119.32 7.91 M98H-N 119.32 7.32 Y99H-N 117.3 7.93 R100H-N 118.86 8.27 R101H-N 115.71 8.02 S102H-N 114.03 7.6 I103H-N 122.64 7.13 R105H-N 122.56 8.27 E106H-N 122.02 8.34 V107H-N 124.62 7.65 A3H-N 126.12 8.48 G4H-N 108.39 8.38 I5H-N 120.23 7.95 I6H-N 125.76 8.33 G8H-N 111.15 8.43 T9H-N 116.51 8.12 T11H-N 115.4 8.27 R12H-N 124.08 8.36 I13H-N 122.8 8.26 S14H-N 120.56 8.44 V15H-N 121.74 8.27 D16H-N 123.26 8.34 E17H-N 122.39 8.42 K18H-N 120.94 8.41 T19H-N 115.62 8.08 E20H-N 123.3 8.33 L21H-N 121.54 8.17 A22H-N 122.87 8.02 R23H-N 119.64 8.03 I24H-N 120.89 8.0 A25H-N 126.56 8.18 K26H-N 120.02 8.13 G27H-N 109.22 8.33 M28H-N 119.42 8.18 Q29H-N 120.48 8.36 Q29HE21-NE2 112.25 6.85 Q29HE22-NE2 112.25 7.56 D30H-N 121.21 8.34 L31H-N 121.97 8.13 E32H-N 121.2 8.39 S33H-N 116.73 8.21 E34H-N 127.81 8.05