TABLE 3.
Residue-by-residue comparison of HSQC 1H and 13C chemical shift of S. pneumoniae serotype 35C and 42 polysaccharides
| Polysaccharide (isolate source) | Residue/structure | Chemical shift (ppm)a |
|||||
|---|---|---|---|---|---|---|---|
| 1-H, 1-C | 2-H, 2-C | 3-H, 3-C | 4-H, 4-C | 5-H, 5-C | 6-H, 6-C | ||
| 35C (SP147) | A/3-β-Galf | 5.360 | 4.457 | 4.109 | 4.540 | 5.540 | 4.322, 4.362 |
| 108.80 | 79.64 | 85.50 | 82.17 | 70.87 | 64.29 | ||
| 42 (SP155) | 5.361 | 4.457 | 4.108 | 4.540 | 5.542 | 4.322, 4.362 | |
| 108.80 | 79.63 | 85.49 | 82.18 | 70.87 | 64.29 | ||
| 35C (SP147) | B/3-β-Galp | 4.692 | 3.824 | 4.241 | 4.231 | 3.721 | 3.763 |
| 103.55 | 73.06 | 76.76 | 68.21 | 75.25 | 61.41 | ||
| 42 (SP155) | 4.703 | 3.820 | 4.243 | 4.229 | 3.722 | 3.765 | |
| 103.57 | 73.07 | 76.80 | 68.20 | 75.25 | 61.41 | ||
| 35C (SP147) | C/6-β-Galf | 5.192 | 4.990 | 4.250 | 4.072 | 4.071 | 3.769, 4.073 |
| 106.70 | 84.40 | 76.41 | 84.66 | 70.48 | 72.31 | ||
| 42 (SP155) | 5.054 | 4.138 | 4.091 | 4.019 | 4.031 | 3.763, 4.074 | |
| 108.78 | 81.70 | 77.57 | 83.91 | 70.57 | 72.25 | ||
| 35C (SP147) | D/3-β-Glcp | 4.556 | 3.443 | 3.663 | 3.406 | 3.489 | 3.724, 3.922 |
| 103.37 | 74.54 | 81.92 | 68.77 | 76.72 | 61.52 | ||
| 42 (SP155) | 4.551 | 3.443 | 3.664 | 3.406 | 3.494 | 3.726, 3.924 | |
| 103.35 | 74.54 | 81.92 | 68.77 | 76.71 | 61.54 | ||
| 35C (SP147) | E/3-α-Glcp | 5.542 | 3.504 | 3.829 | 3.335 | 4.087 | 3.721, 3.912 |
| 97.82 | 72.63 | 73.69 | 70.85 | 72.58 | 61.75 | ||
| 42 (SP155) | 5.542 | 3.513 | 3.829 | 3.333 | 4.090 | 3.726, 3.913 | |
| 97.82 | 72.62 | 73.69 | 70.85 | 72.58 | 61.76 | ||
| 35C (SP147) | F/1-Manol-6 | 3.669, 4.020 | 3.873 | 3.873 | 3.876 | 3.876 | 4.102, 4.161 |
| 70.02 | 69.67 | 70.19 | 70.38 | 69.14 | 68.00 | ||
| 42 (SP155) | 3.764, 4.031 | 3.868 | 3.878 | 3.877 | 3.875 | 4.097, 4.158 | |
| 70.52 | 69.72 | 70.26 | 70.39 | 69.12 | 67.97 | ||
a
Chemical shifts of polysaccharides were recorded at 25°C. Pairs of values separated by a comma are H, H′ values. Underlined numbers indicate O-acetylated positions, and numbers in boldface indicate di-O-acetylated positions.