Assignment w1 w2 K3H-N 127.4 8.61 F4H-N 120.3 9.38 A5H-N 125.2 8.83 C6H-N 114.0 8.01 R7H-N 121.0 8.92 A8H-N 129.8 9.18 I9H-N 124.9 8.66 T10H-N 108.5 7.66 R11H-N 114.5 7.78 G12H-N 106.6 8.25 R13H-N 116.3 8.16 R13HE-NE 85.2 7.27 A14H-N 125.0 8.9 E15H-N 119.1 8.59 G16H-N 109.0 8.4 E17H-N 120.2 9.06 A18H-N 128.9 9.8 L19H-N 128.3 9.05 V20H-N 126.2 8.18 T21H-N 118.7 8.64 K22H-N 126.1 8.83 E23H-N 122.0 8.88 Y24H-N 117.9 8.21 I25H-N 117.4 7.5 S26H-N 119.7 9.15 F27H-N 126.5 9.26 L28H-N 119.0 7.93 G29H-N 111.7 8.42 G30H-N 108.0 7.65 I31H-N 118.5 7.17 D32H-N 127.1 8.81 K33H-N 126.5 8.61 E34H-N 115.6 8.48 T35H-N 104.9 7.8 G36H-N 110.7 8.45 I37H-N 119.1 7.4 V38H-N 126.9 8.68 K39H-N 129.4 8.71 E40H-N 120.7 7.15 D41H-N 122.9 8.7 C42H-N 118.9 7.68 E43H-N 120.6 11.19 I44H-N 108.6 7.27 K45H-N 124.2 7.14 G46H-N 114.9 9.19 E47H-N 119.3 8.08 S48H-N 113.1 8.75 V49H-N 118.6 8.5 A50H-N 123.1 7.95 G51H-N 110.6 8.62 R52H-N 117.4 7.92 R52HE-NE 111.6 6.48 I53H-N 121.1 8.16 L54H-N 130.8 8.47 V55H-N 127.1 8.99 F56H-N 120.0 8.41 G58H-N 101.2 6.6 G59H-N 106.7 8.97 G61H-N 112.5 9.6 S62H-N 115.9 8.53 T63H-N 114.8 8.59 V64H-N 119.0 7.74 G65H-N 108.7 8.53 S66H-N 117.7 8.31 Y67H-N 116.7 7.92 V68H-N 122.4 7.64 L69H-N 117.1 7.82 L70H-N 118.8 7.53 N71H-N 119.4 8.12 N71HD21-ND2 113.4 7.55 N71HD22-ND2 113.4 7.16 L72H-N 117.4 8.46 R73H-N 119.7 8.05 R73HE-NE 113.0 7.19 K74H-N 122.2 8.51 N75H-N 115.2 7.64 N75HD21-ND2 112.1 7.51 N75HD22-ND2 112.1 7.08 G76H-N 109.1 8.03 V77H-N 111.3 8.16 A78H-N 119.0 7.53 K80H-N 118.8 8.81 A81H-N 110.7 7.56 I82H-N 119.3 8.6 I83H-N 125.3 8.87 N84H-N 121.5 8.29 N84HD21-ND2 102.6 6.48 N84HD22-ND2 102.6 3.7 K85H-N 121.9 8.44 K86H-N 116.1 7.22 T87H-N 123.3 10.01 E88H-N 117.9 8.05 T89H-N 119.4 8.67 I90H-N 114.9 8.69 I91H-N 120.6 7.05 A92H-N 122.7 7.93 V93H-N 118.1 8.87 G94H-N 106.6 7.67 A95H-N 124.2 9.07 A96H-N 120.5 8.01 M97H-N 116.4 8.22 A98H-N 117.4 7.93 E99H-N 116.5 7.68 I100H-N 119.0 8.26 L102H-N 127.6 7.7 V103H-N 116.4 8.22 E104H-N 117.7 8.68 V105H-N 124.8 8.6 R106H-N 123.1 8.44 R106HE-NE 113.4 7.18 D107H-N 120.0 7.36 E108H-N 127.9 9.12 K109H-N 117.6 8.87 F110H-N 117.9 7.25 F111H-N 114.7 6.39 E112H-N 116.2 7.62 A113H-N 120.2 7.07 V114H-N 118.1 7.24 K115H-N 125.4 8.53 T116H-N 119.7 8.79 G117H-N 116.1 9.01 D118H-N 121.2 8.14 R119H-N 122.0 8.75 R119HE-NE 113.0 7.66 V120H-N 124.5 8.92 V121H-N 124.6 9.13 V122H-N 126.6 9.38 N123H-N 126.5 8.53 N123HD21-ND2 110.1 6.98 N123HD22-ND2 110.1 6.77 A124H-N 124.7 7.88 D125H-N 116.6 7.38 E126H-N 114.0 7.07 G127H-N 108.6 7.67 Y128H-N 116.7 7.94 V129H-N 115.6 9.08 E130H-N 126.8 9.8 L131H-N 128.1 8.97 I132H-N 128.2 8.54 E133H-N 127.0 8.64 L134H-N 124.4 8.45 E135H-N 121.2 8.42 H136H-N 119.0 8.44 H137H-N 125.2 8.3