Assignment w1 w2 D3H-N 119.9 8.08 K4H-N 121.1 8.18 E5H-N 121.0 8.32 L6H-N 124.9 7.39 K7H-N 126.8 8.42 F8H-N 129.7 9.11 L9H-N 123.4 8.74 V10H-N 128.7 8.93 V11H-N 128.8 9.24 D12H-N 125.2 7.99 D13H-N 126.5 9.83 F14H-N 113.8 8.47 M17H-N 120.7 6.33 R18H-N 118.6 7.53 R19H-N 118.4 7.58 I20H-N 122.1 7.68 V21H-N 120.7 8.29 R22H-N 120.9 8.57 N23H-N 120.6 8.37 N23HD21-ND2 112.2 7.43 N23HD22-ND2 112.2 6.78 L24H-N 124.6 8.41 L25H-N 119.3 8.27 K26H-N 122.1 7.92 E27H-N 123.5 7.92 L28H-N 118.4 7.39 G29H-N 107.3 7.66 F30H-N 122.5 8.12 N31H-N 119.8 8.24 N31HD21-ND2 114.7 7.37 N31HD22-ND2 114.7 6.81 N32H-N 125.1 9.53 N32HD21-ND2 112.2 7.43 N32HD22-ND2 112.2 6.92 V33H-N 123.7 7.6 E34H-N 128.4 9.06 E35H-N 122.4 8.87 A36H-N 122.3 8.84 E37H-N 118.9 9.36 D38H-N 111.1 7.43 G39H-N 104.3 8.1 V40H-N 123.9 7.89 D41H-N 122.5 8.48 A42H-N 118.4 8.24 L43H-N 119.7 8.07 N44H-N 118.6 7.81 N44HD21-ND2 113.7 7.72 N44HD22-ND2 113.7 6.76 K45H-N 121.8 7.86 L46H-N 120.0 8.69 Q47H-N 118.2 7.83 Q47HE21-NE2 110.6 6.78 Q47HE22-NE2 110.6 6.72 A48H-N 121.9 7.54 G49H-N 105.6 7.53 G50H-N 105.0 8.12 Y51H-N 120.0 8.02 G52H-N 108.1 9.4 F53H-N 122.6 7.44 V54H-N 128.5 8.16 I55H-N 129.6 9.19 S56H-N 119.9 8.69 D57H-N 128.6 8.39 W58H-N 123.2 8.1 W58HE1-NE1 131.7 10.18 N59H-N 118.3 8.62 N59HD21-ND2 114.9 7.0 N59HD22-ND2 114.9 7.0 M60H-N 122.9 7.23 N62H-N 113.7 8.52 N62HD21-ND2 117.5 7.86 N62HD22-ND2 117.5 6.95 M63H-N 124.3 9.07 D64H-N 127.7 8.43 L66H-N 123.0 7.66 E67H-N 121.4 8.11 L68H-N 125.0 8.27 L69H-N 121.9 8.13 K70H-N 117.6 8.33 T71H-N 118.7 7.94 I72H-N 124.8 8.37 R73H-N 114.7 8.07 A74H-N 120.5 7.24 D75H-N 123.0 7.33 G76H-N 105.1 8.25 A77H-N 123.4 8.5 M78H-N 117.5 8.42 S79H-N 114.4 7.41 A80H-N 124.4 8.13 L81H-N 125.1 7.74 V83H-N 120.3 7.62 L84H-N 131.7 9.08 M85H-N 125.8 8.01 V86H-N 125.6 9.07 T87H-N 117.9 8.51 E89H-N 118.2 7.91 K91H-N 122.4 7.28 K92H-N 123.6 8.84 E93H-N 117.7 9.5 N94H-N 119.4 7.19 N94HD21-ND2 112.1 7.22 N94HD22-ND2 112.1 6.76 I95H-N 122.9 7.42 I96H-N 121.1 7.99 A97H-N 123.4 7.57 A98H-N 120.6 8.37 A99H-N 123.2 8.13 Q100H-N 120.2 8.67 Q100HE21-NE2 112.3 7.31 Q100HE22-NE2 112.3 6.72 A101H-N 119.8 7.51 G102H-N 103.9 7.54 A103H-N 126.2 8.67 S104H-N 119.4 8.97 G105H-N 104.2 7.59 Y106H-N 120.1 8.37 V107H-N 121.3 8.86 V108H-N 128.2 8.14 K109H-N 125.3 8.35 F111H-N 117.3 7.72 T112H-N 110.0 7.82 A113H-N 124.4 9.14 T115H-N 118.3 7.75 L116H-N 123.5 8.17 E117H-N 120.6 8.82 E118H-N 119.4 7.61 K119H-N 118.4 7.83 L120H-N 119.7 8.51 N121H-N 117.9 8.54 N121HD21-ND2 111.9 7.48 N121HD22-ND2 111.9 6.96 K122H-N 120.2 7.72 I123H-N 122.8 7.52 F124H-N 120.3 9.02 E125H-N 119.6 8.24 K126H-N 120.6 7.71 L127H-N 119.3 7.89 G128H-N 110.5 7.98 M129H-N 125.8 7.96