Assignment w1 w2 N3H-N 117.6 8.16 K7H-N 119.8 8.32 A8H-N 126.9 8.44 D13H-N 119.3 8.33 S14H-N 115.8 8.17 R16H-N 119.9 8.43 A17H-N 123.8 8.35 S18H-N 124.7 7.96 L19H-N 122.8 8.26 I20H-N 121.9 8.16 D22H-N 119.5 8.37 A23H-N 123.6 8.4 T24H-N 112.3 8.36 L26H-N 121.2 7.86 G27H-N 106.1 7.83 Q29H-N 120.2 8.45 Q29HE21-NE2 110.8 7.17 Q29HE22-NE2 110.8 6.75 F30H-N 117.9 7.52 C31H-N 121.5 8.39 K32H-N 129.2 7.91 S33H-N 112.2 8.88 C34H-N 116.7 8.46 W35H-N 120.7 7.97 W35HE1-NE1 127.6 9.69 F36H-N 116.6 8.44 E37H-N 120.6 7.51 N38H-N 120.8 8.34 N38HD21-ND2 110.4 7.34 N38HD22-ND2 110.4 6.83 K39H-N 121.0 8.82 G40H-N 109.6 8.62 L41H-N 115.0 7.83 V42H-N 118.0 9.4 E43H-N 123.1 8.61 C44H-N 128.8 8.34 N45H-N 119.0 8.82 N45HD21-ND2 120.6 7.74 N45HD22-ND2 120.6 7.15 N46H-N 117.0 8.04 N46HD21-ND2 109.4 7.54 N46HD22-ND2 109.4 6.78 H47H-N 112.7 7.52 Y48H-N 115.8 9.91 L49H-N 123.7 9.37 C50H-N 120.3 9.91 L51H-N 119.2 8.5 N52H-N 119.3 8.52 N52HD21-ND2 114.0 8.06 N52HD22-ND2 114.0 7.02 C53H-N 123.1 9.34 L54H-N 119.0 8.97 T55H-N 112.1 8.08 L56H-N 121.9 7.73 L57H-N 122.0 9.1 L58H-N 119.9 8.67 S59H-N 111.6 7.51 V60H-N 119.3 7.58 S61H-N 112.7 8.16 N62H-N 115.7 8.19 N62HD21-ND2 111.6 7.63 N62HD22-ND2 111.6 6.94 R63H-N 121.4 8.49 C64H-N 131.1 9.08 I66H-N 124.5 9.55 C67H-N 119.5 8.88 K68H-N 115.6 7.7 M69H-N 120.7 8.17 L71H-N 125.3 8.28 T73H-N 113.5 8.26 K74H-N 120.7 8.06 L75H-N 121.4 8.23 R76H-N 121.1 8.2 A80H-N 123.7 8.29 T82H-N 109.3 7.96 A83H-N 126.7 8.32 T86H-N 112.7 8.29 G87H-N 110.2 8.47 A88H-N 122.8 8.24 A89H-N 122.0 8.44 D90H-N 117.5 8.27 S91H-N 114.1 8.12 I92H-N 121.0 8.11 R93H-N 125.4 8.39 Y97H-N 119.4 8.18 S98H-N 119.7 8.05