TABLE 3.
Proton 1H and carbon 13C chemical shift assignments of the native R7AndvB LMM oligosaccharide
The subscript number indicates position of O-acetyl group in glycosyl residue, i.e. A3 indicates mono-3-O-acetylated β-RibfA; A2,3 indicates 2,3-di-O-Ac-β-RibfA; E, E′, and E″, or D3, D3′, and D3″ indicates different variants of same monosaccharide residue observed in NMR experiments due to different substitution patterns by O-acetyl groups on neighboring residues. All presented monosaccharides have -d- configuration; ND not detected.
| Residue | H1 | H2 | H3 | H4 | H5 | H6a | H6b | |
|---|---|---|---|---|---|---|---|---|
| C1 | C2 | C3 | C4 | C5 | C6 | |||
| A | β-RibfA | 5.01 | 4.05 | 4.39 | 4.29 | |||
| 109.3 | 75.3 | 74.8 | 84.4 | 178.4 | ||||
| A3 | 3-O-Ac-β-RibfA | 5.06 | 4.28 | 5.28 | 4.47 | |||
| 109.8 | 73.8 | 76.3 | 80.4 | 177.4 | ||||
| A2,3 | 2,3-di-O-Ac-β-RibfA | 5.16 | 5.07 | 4.59 | 4.32 | |||
| 106.8 | 77.3 | 73.3 | 83.4 | 177.9 | ||||
| B | 4-α-GlcpA-(1→4) | 5.33 | 3.67 | 3.75 | 3.55 | 4.02 | ||
| 100.2 | 71.2 | 71.8 | 82.4 | 72.8 | 174.8 | |||
| C | 4-β-Glcp-(1→6) | 4.574 | 3.39 | 3.32 | 3.70 | 3.47 | 3.95 | 3.81 |
| 103.2 | 73.7 | 73.7 | 79.9 | 76.1 | 60.5 | |||
| C′ | 4-β-Glcp-(1→6) | 4.431 | 3.33 | 3.74 | 3.58 | ND | ND | ND |
| 103.1 | 73.4 | 76.3 | 78.5 | ND | ND | |||
| D | 6-β-Glcp-(1→6) | 4.502 | 3.36 | 3.61 | 3.50 | 3.75 | 4.20 | 3.91 |
| 103.2 | 72.8 | 75.3 | 71.2 | 76.3 | 68.7 | |||
| D3 | 3-O-Ac-6-β-Glcp-(1→6) | 4.673 | 3.51 | 4.94 | 3.65 | 3.69 | 4.18 | 3.88 |
| 103.7 | 74.8 | 77.3 | 71.2 | 75.3 | 68.7 | |||
| D3′ | 3-O-Ac-6-β-Glcp-(1→6) | 4.638 | 3.50 | 4.96 | 3.65 | 3.71 | 4.19 | 3.89 |
| 102.7 | 74.8 | 77.3 | 71.2 | 75.3 | 68.7 | |||
| D3″ | 3-O-Ac-6-β-Glcp-(1→6) | 4.561 | 3.45 | 4.94 | 3.65 | 3.7 | 4.18 | 3.88 |
| 103.2 | 73.2 | 77.8 | 71.2 | 75.3 | 68.7 | |||
| E | 6-β-Glcp-(1→4) | 4.519 | 3.33 | 3.60 | 3.51 | 3.75 | 4.23 | 3.90 |
| 103.2 | 73.0 | 75.3 | 71.8 | 76.3 | 68.7 | |||
| E′ | 6-β-Glcp-(1→4) | 4.397 | 3.20 | 3.46 | 3.40 | 3.55 | 4.18 | 3.85 |
| 102.2 | 73.8 | 75.9 | 70.2 | 76.1 | 69.5 | |||
| E″ | 6-β-Glcp-(1→4) | 4.356 | 3.15 | 3.46 | 3.28 | 3.46 | 4.13 | 3.80 |
| 102.3 | 73.9 | 75.9 | 70.2 | 76.1 | 69.7 | |||
| E‴ | 6-β-Glcp-(1→4) | 4.500 | 3.32 | 3.60 | 3.51 | 3.75 | 4.21 | 3.91 |
| 103.2 | 73.0 | 75.3 | 71.8 | 76.3 | 68.7 | |||
| E2 | 2-O-Ac-6-β-Glcp-(1→4) | 4.711 | 4.79 | 3.86 | ND | ND | 4.20 | ND |
| 103.7 | 74.2 | 72.8 | ND | ND | 68.7 | |||
| E2′ | 2-O-Ac-6-β-Glcp-(1→4) | 4.695 | 4.81 | 3.81 | ND | ND | 4.18 | 3.88 |
| 103.7 | 71.2 | 73.3 | ND | ND | 68.7 | |||
| F2 | 2-O-Ac-4-β-Glcp-(1→4) | 4.721 | 4.77 | 3.86 | 3.67 | 3.74 | 3.97 | 3.82 |
| 100.7 | 73.8 | 72.8 | 78.7 | 76.3 | 60.6 | |||
| F3 | 3-O-Ac-4-β-Glcp-(1→4) | 4.622 | 3.54 | 5.04 | 3.93 | ND | ND | ND |
| 102.7 | 71.7 | 75.8 | 74.8 | ND | ND | |||
| F3′ | 3-O-Ac-4-β-Glcp-(1→4) | 4.606 | 3.57 | 5.04 | 3.83 | ND | ND | ND |
| 102.7 | 71.7 | 75.3 | 73.3 | ND | ND | |||
| G | 4-β-Glcp-(1→3) | 4.689 | 3.41 | 3.67 | 3.63 | 3.5 | 3.83 | 3.67 |
| 103.7 | 73.8 | 74.8 | 78.9 | 75.8 | 60.6 | |||
| G′ | 4-β-Glcp-(1→3) | 4.697 | 3.43 | 3.67 | 3.67 | ND | ND | ND |
| 103.7 | 73.8 | 74.8 | 78.8 | ND | ND | |||
| Hβ | 3-β-Galp | 4.613 | 3.65 | 3.79 | 4.15 | 3.69 | ND | ND |
| 96.6 | 71.2 | 82.9 | 68.7 | 75.3 | ND | |||
| Hα | 3-α-Galp | 5.27 | 3.97 | 3.97 | 4.22 | 4.09 | 3.72 | 3.72 |
| 92.1 | 67.7 | 79.9 | 69.2 | 70.7 | 61.1 |