1H- and 13C-Chemical Shift Data of GP1 in DMSO-d6 at 300 K
| Amino acid*† | 1H-shift | 13C-shift | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| HN | Hα/Hα′ | Hβ/Hβ′ | Hγ/Hγ′ | Hδ/Hδ′ | Others | Cα | Cβ | Cγ | Cδ | CO | Others | |
| Arg1 | 7.64 | 4.14 | 1.49/1.71 | 1.37 | 3.10 | 7.48 (HNε) | 51.8 | 28.3 | 25.3 | 40.2 | 171.1 | 156.6 (guanidino C) |
| Gly2 | 8.30 | 3.22/4.02 | 43.2 | 169.4 | ||||||||
| Asp3 | 8.02 | 4.63 | 2.37/2.70 | 48.8 | 35.0 | 169.8 | 171.5 (COOH) | |||||
| d-Tyr4 | 7.89 | 4.37 | 2.69/2.81 | 6.62; 6.92 (aromatic Hs) | 54.5 | 36.6 | 170.8 | 129.9; 114.6; 127.3 (aromatic Cs) | ||||
| Lys5 | 7.98 | 3.92 | 1.41/1.54 | 1.06 | 1.31 | 2.95 (Hε), 7.75 (HNφ) | 54.6 | 31.0 | 22.7 | 28.5 | 172.0 | 38.0 (Cε) |
↵* Sugar amino acid 1H-shift data: H1, 3.56; H2, 3.62; H3, 3.31; H4, 3.18; H5, 3.10; H6, 3.67; H6′, 3.50; HN, 7.66; and CO-CH3, 1.76.
↵† Sugar amino acid 13C-shift data: CO, 168.3; C1, 77.9; C2, 53.5; C3, 74.8; C4, 69.8; C5, 80.2; C6, 60.7; CO-CH3, 169.4; CO-CH3, 22.8.
Calibration was performed with reference to residual dimethyl sulfoxide signal (1H, 2.49 ppm; 13C, 39.5 ppm). Assignment of all proton and carbon resonances followed standard methods (26).