Assignment w1 w2 C4H-N 122.6 8.27 S5H-N 119.6 8.25 F6H-N 122.5 8.01 F7H-N 123.0 8.23 G8H-N 111.2 7.87 G9H-N 108.4 7.93 E10H-N 122.6 8.4 V11H-N 120.3 7.94 F12H-N 113.7 7.73 Q13H-N 126.4 8.08 N14H-N 115.9 8.58 N14HD21-ND2 112.7 7.51 N14HD22-ND2 112.7 6.71 H15H-N 120.5 6.07 F16H-N 127.2 8.88 E17H-N 119.9 5.78 G19H-N 111.3 8.82 V20H-N 120.7 8.07 Y21H-N 123.2 9.56 V22H-N 119.1 9.4 C23H-N 123.8 9.02 A24H-N 131.9 8.76 K25H-N 120.0 9.2 C26H-N 120.9 8.73 S27H-N 115.8 8.17 Y28H-N 127.1 9.01 E29H-N 124.5 7.73 L30H-N 121.8 7.94 F31H-N 113.3 7.88 S32H-N 118.7 10.03 S33H-N 123.1 8.99 S35H-N 114.5 7.96 K36H-N 126.9 7.63 Y37H-N 124.2 8.44 A38H-N 125.1 8.59 H39H-N 125.6 8.08 S40H-N 118.7 6.86 S41H-N 122.5 9.14 W43H-N 113.9 6.59 W43HE1-NE1 130.6 10.19 A45H-N 126.7 7.85 F46H-N 115.6 8.08 T47H-N 109.9 9.19 E48H-N 115.4 7.32 T49H-N 111.4 8.15 I50H-N 121.7 7.72 H51H-N 115.5 7.4 D53H-N 114.3 8.07 S54H-N 116.3 7.72 V55H-N 105.2 7.36 T56H-N 116.0 8.78 K57H-N 121.9 8.61 C58H-N 120.6 8.61 E60H-N 123.9 8.63 K61H-N 127.0 8.78 N62H-N 117.0 8.87 R63H-N 119.2 7.43 R63HE-NE 85.5 7.23 E65H-N 117.0 9.21 A66H-N 124.8 8.04 L67H-N 120.4 8.71 K68H-N 125.3 9.18 V69H-N 121.6 8.15 S70H-N 120.6 8.61 C71H-N 126.7 9.28 G72H-N 120.1 9.14 K73H-N 124.4 9.09 C74H-N 119.7 8.59 G75H-N 113.0 7.76 N76H-N 123.7 9.05 N76HD21-ND2 115.4 8.25 N76HD22-ND2 115.4 7.08 G77H-N 115.6 8.66 L78H-N 122.7 8.6 G79H-N 102.4 7.1 H80H-N 122.4 8.58 E81H-N 123.7 9.26 F82H-N 126.9 9.15 L83H-N 126.9 8.28 N84H-N 116.9 9.26 N84HD21-ND2 114.2 7.64 N84HD22-ND2 114.2 6.77 D85H-N 117.2 7.14 G86H-N 107.6 8.23 K88H-N 116.2 7.31 R89H-N 122.2 8.32 R89HE-NE 85.1 7.18 G90H-N 115.1 8.95 Q91H-N 120.9 8.12 S92H-N 120.9 9.21 R93H-N 117.8 7.82 F94H-N 127.1 9.86 C95H-N 128.2 9.19 I96H-N 130.7 7.51 F97H-N 122.4 8.04 S99H-N 114.1 9.36 S100H-N 118.7 8.15 L101H-N 122.0 8.1 K102H-N 119.5 8.95 F103H-N 124.5 9.01 V104H-N 132.0 8.55 K106H-N 123.2 7.9 G107H-N 113.5 8.74 K108H-N 121.5 8.24 E109H-N 122.8 8.65 A110H-N 126.1 8.4 A111H-N 123.8 8.24 A112H-N 123.6 8.22 S113H-N 115.4 8.2 Q114H-N 122.5 8.32 G115H-N 110.0 8.37 H116H-N 119.1 8.29 L117H-N 124.1 8.22 E118H-N 122.3 8.35 H119H-N 120.5 8.41 H120H-N 121.0 8.53