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. 2023 Mar 27;61(4):e00024-23. doi: 10.1128/jcm.00024-23

TABLE 2.

1H and 13C chemical shifts (ppm) of 36A and 36B capsule PS obtained at 35°Ca

Serotype Residue Label NMR chemical shift (proton/carbon shift) (ppm)
H1/C1 H2/C2 H3/C3 H4/C4 H5/C5 H6a,H6b/C6 N-Ac 31P
36A →4-α-d-Glcp-(1→ A 4.54/104.8 3.38/75.1 3.68/76.3 3.68/81.4 3.55/76.6 3.74,3.89/62.3
→6-β-d-ManNAc-(1→ B 4.92/101.9 4.67/55.1 3.98/80.1 3.87/68.5 3.63/77.1 4.16,4.23/66.4 2.11/24.3 1.66
α-d-Glcp-(1→ C 5.26/102.5 3.56/73.9 3.65/75.0 3.43/71.6 3.83/74.3 3.78,3.88/62.6
β-d-Galp-(1→ D 4.56/104.8 3.61/73.1 3.71/74.8 3.97/72.7 4.06/84.4 3.83,3.91/63.1
→1-d-Rib-ol-(5→ E 3.77,3.94/69.3 4.04/71.8 3.90/75.9 3.97/70.8 4.05,4.13/69.0
→5-α-d-Galf-(1→ F 5.09/109.9 4.11/83.0 4.11/78.8 4.00/85.2 3.77/73.4 4.06,4.08/73.5
36B →4-α-d-Glcp-(1→ A 4.54/104.8 3.38/75.1 3.68/76.3 3.68/81.4 3.55/76.6 3.74,3.89/62.3
→6-β-d-ManNAc-(1→ B′ 4.93/101.9 4.68/55.1 4.00/79.1 3.85/68.5 3.63/77.2 4.16,4.23/66.4 2.11/24.3 1.66
α-d-Galp-(1→ C′ 5.30/102.5 3.83/70.6 3.76/71.5 3.99/71.5 4.20/73.4 3.77,3.78/63.7
β-d-Galp-(1→ D 4.56/104.8 3.61/73.1 3.71/74.8 3.97/72.7 4.06/84.4 3.83,3.91/63.1
→1-d-Rib-ol-(5→ E 3.77,3.94/69.3 4.04/71.8 3.90/75.9 3.97/70.8 4.05,4.13/69.0
→5-α-d-Galf-(1→ F 5.09/109.9 4.11/83.0 4.11/78.8 4.00/85.2 3.77/73.4 4.06,4.08/73.5
a

Each carbohydrate residue is labeled with a unique letter for 36A (A to F) and 36B (A to F). Proton and carbon are indicated by letters H and C, respectively, and the numbers associated with them indicate their respective chemical shift values. A slash separates the proton and carbon chemical shifts (ppm). For each residue, the table shows the chemical shifts of every proton and carbon molecule attached to it at different positions. N-Ac, N-acetylation. 31P, phosphate.