TABLE 3.
Residue by residue comparison of HSQC 1H and 13C chemical shifts for CPS10F of S. pneumoniae 34355, RPS4Gn of S. oralis C104, and polysaccharides isolated from plasmid-bearing mutant strains of S. oralis C104
Chemical shifts from NMR spectra recorded at 45 °C for S. pneumoniae CPS10F and 25 °C for S. oralis polysaccharides.
| Strain | Residue | H1/C1 | H2/C2 | H3/C3 | H4/C4 | H5/C5 | H6/C6 |
|---|---|---|---|---|---|---|---|
| 34355 | β-Galf | 5.222 | 4.210 | 4.166 | 4.214 | 4.355 | 3.792, 3.857 |
| (A) | 109.97 | 82.54 | 77.18 | 82.52 | 75.61 | 62.46 | |
| C104 | 5.218 | 4.208 | 4.101 | 4.108 | 3.990 | 3.97 | |
| 110.05 | 82.26 | 77.46 | 83.36 | 70.10 | 67.18 | ||
| YC7(pJY-11) | 5.210 | 4.211 | 4.176 | 4.229 | 4.355a | 3.778, 3.866 | |
| 109.85 | 82.35 | 76.81 | 82.09 | 75.25 | 62.01 | ||
| YC1(pJY-12) | 5.220 | 4.210 | 4.100 | 4.107 | 3.983 | 3.962, 3.985 | |
| 110.09 | 82.25 | 77.51 | 83.52 | 70.29 | 67.26 | ||
| YC8(pJY-13) | 5.229 | 4.213 | 4.104 | 4.104 | 3.990 | 3.954, 3.986 | |
| 110.05 | 82.25 | 77.52 | 83.37 | 70.15 | 67.21 | ||
| YC6(pJY-15) | 5.215 | 4.207 | 4.103 | 4.104 | 3.988 | 3.955, 3.981 | |
| 110.05 | 82.27 | 77.46 | 83.36 | 70.07 | 67.14 | ||
| 34355 | β-Galp | 4.637 | 3.743 | 3.728 | 4.094 | 3.689 | 3.775, 3.806 |
| (B) | 105.05 | 71.68 | 81.59 | 69.56 | 75.99 | 62.00 | |
| C104 | 4.507 | 3.675 | 3.742 | 4.107 | 3.730 | 3.78 | |
| 103.91 | 70.84 | 81.09 | 69.38 | 75.96 | 61.85 | ||
| YC7(pJY-11) | 4.512 | 3.681 | 3.741 | 4.117 | 3.733 | 3.771 | |
| 103.90 | 70.81 | 81.40 | 69.33 | 75.92 | 61.85 | ||
| YC1(pJY-12) | 4.508 | 3.677 | 3.745 | 4.108 | 3.733 | 3.786 | |
| 103.94 | 70.83 | 81.08 | 69.41 | 75.95 | 61.89 | ||
| YC8(pJY-13) | 4.653 | 3.731 | 3.732 | 4.091 | 3.694 | 3.786 | |
| 104.80 | 71.52 | 81.11 | 69.37 | 75.89 | 61.77 | ||
| YC6(pJY-15) | 4.496 | 3.666 | 3.737 | 4.104 | 3.72 | 3.775 | |
| 103.85 | 70.84 | 81.08 | 69.35 | 75.90 | 61.80 | ||
| 34355 | β-Galf | 5.057 | 4.077 | 4.072 | 3.971 | 3.841 | 3.673, 3.720 |
| (C) | 109.14 | 82.00 | 77.72 | 84.03 | 71.92 | 63.81 | |
| C104 | 5.071 | 4.068 | 4.100 | 4.006 | 4.027 | 3.767, 4.077 | |
| 108.62 | 81.81 | 77.51 | 83.96 | 70.38 | 71.91 | ||
| YC7(pJY-11) | 5.073 | 4.073 | 4.102 | 4.004 | 4.027 | 3.765, 4.074 | |
| 108.64 | 81.83 | 77.49 | 83.94 | 70.34 | 71.93 | ||
| YC1(pJY-12) | 5.071 | 4.091 | 4.097 | 4.011 | 4.026 | 3.761, 4.085 | |
| 108.68 | 81.77 | 77.57 | 83.96 | 70.47 | 71.98 | ||
| YC8(pJY-13) | 5.067 | 4.064 | 4.075 | 3.963 | 3.832 | 3.669, 3.702 | |
| 108.88 | 81.83 | 77.31 | 83.64 | 71.56 | 63.50 | ||
| YC6(pJY-15) | 5.093 | 4.082 | 4.050 | 4.052 | 4.010 | 3.754, 4.059 | |
| 109.94 | 82.23 | 77.68 | 83.78 | 70.38 | 71.84 | ||
| 34355 | β-GalNAc | 4.679 | 4.027 | 3.845 | 4.186 | 3.877 | 3.888, 3.970 |
| (D) | 103.99 | 54.20 | 72.38 | 77.95 | 74.53 | 69.39 | |
| C104 | 4.635 | 3.944 | 3.752 | 3.945 | 3.829 | 3.775, 3.911 | |
| 103.93 | 53.36 | 71.56 | 68.59 | 74.54 | 68.08 | ||
| YC7(pJY-11) | 4.635 | 3.944 | 3.753 | 3.947 | 3.840 | 3.775, 3.913 | |
| 103.98 | 53.34 | 71.47 | 68.66 | 74.50 | 68.02 | ||
| YC1(pJY-12) | 4.629 | 3.953 | 3.753 | 3.944 | 3.821 | 3.769, 3.924 | |
| 103.94 | 53.39 | 71.56 | 68.68 | 74.54 | 68.19 | ||
| YC8(pJY-13) | 4.677 | 4.034 | 3.856 | 4.204 | 3.904 | 3.905, 3.973 | |
| 103.93 | 53.92 | 72.13 | 77.68 | 74.36 | 69.24 | ||
| YC6(pJY-15) | 4.705 | 4.047 | 3.803 | 4.069 | 3.706 | 3.773 | |
| 103.68 | 52.42 | 79.03 | 68.65 | 75.52 | 61.73 | ||
| 34355 | α-Galp | 5.080 | 3.926 | 3.970 | 4.235 | 4.246 | 3.740 |
| (E) | 99.18 | 68.31 | 80.84 | 70.07 | 71.58 | 62.21 | |
| C104 | 4.959 | 3.890 | 3.963 | 4.204 | 3.980 | 3.74 | |
| 99.92 | 68.26 | 80.22 | 70.08 | 71.43 | 62.06 | ||
| YC7(pJY-11) | 4.962 | 3.890 | 3.967 | 4.206 | 3.981 | 3.743 | |
| 99.90 | 68.26 | 80.20 | 70.09 | 71.44 | 62.06 | ||
| YC1(pJY-12) | 5.074 | 3.889 | 3.979 | 4.239 | 4.266 | 3.740 | |
| 98.71 | 68.04 | 80.25 | 69.95 | 71.35 | 62.02 | ||
| YC8(pJY-13) | 4.963 | 3.903 | 3.976 | 4.213 | 3.975 | 3.746 | |
| 99.92 | 68.25 | 80.43 | 70.09 | 71.45 | 62.05 | ||
| YC6(pJY-15) | 4.961 | 3.895 | 3.986 | 4.216 | 3.977 | 3.733 | |
| 99.92 | 68.32 | 80.11 | 69.97 | 71.43 | 61.95 | ||
| 34355 | Ribitol | 3.677, 3.826 | 3.814 | 3.902 | 4.086 | 4.120, 4.203 | |
| (F) | 63.95 | 72.39 | 71.56 | 79.14 | 65.79 | ||
| C104 | 3.599, 3.965 | 4.054 | 3.818 | 3.933 | 3.990, 4.085 | ||
| 69.48 | 71.63 | 72.29 | 71.66 | 67.40 | |||
| YC7(pJY-11) | 3.598, 3.962 | 4.061 | 3.818 | 3.933 | 4.020, 4.126 | ||
| 69.41 | 71.62 | 72.3 | 71.67 | 67.53 | |||
| YC1(pJY-12) | 3.661, 3.824 | 3.796 | 3.900 | 4.105 | 4.088, 4.157 | ||
| 63.73 | 72.13 | 71.13 | 78.61 | 65.26 | |||
| YC8(pJY-13) | 3.597, 3.970 | 4.057 | 3.824 | 3.938 | 4.002, 4.079 | ||
| 69.46 | 71.62 | 72.26 | 71.64 | 67.37 | |||
| YC6(pJY-15) | 3.595, 3.965 | 4.056 | 3.817 | 3.926 | 3.982, 4.071 | ||
| 69.46 | 71.61 | 72.30 | 71.61 | 67.41 |
a Chemical shifts that are underlined differ significantly from those of wild-type RPS4Gn (strain C104).