Table 1.
1H, 13C, and 31P chemical shifts in Lmo WSLC 1042 WTA in D2O (in ppm)
Assignment of the two minor sets of GlcNAc signals to B2 and B3, respectively, is based on the position of the 5′ cross-peak in the HSQC spectrum, which is expected to be significantly shifted in the absence of Gal. The abbreviations used are: GlcNAc, N-acetylglucosamine; OAc, O-acetyl group; Glc, glucose.
| Unit | 1 | 2 | 3 | 4 | 5 | 6 | NAc | OAc | 31P | |
|---|---|---|---|---|---|---|---|---|---|---|
| Rbo (A) | 1H | 4.03/3.90 | 3.70 | 3.74 | 3.82 | 3.78/3.69 | NAa | NA | NA | |
| 13C | 66.5 | 70.2 | 70.6 | 82.1 | 60.6 | NA | NA | NA | ||
| GlcNAc-3-Glc-4-P-6-Gal (B1) | 1H | 4.74 | 3.92 | 3.99 | 4.04 | 3.97 | 3.84 | 2.00 | −1.1 | |
| 13C | 100.3 | 55.1 | 77.9 | 73.1 | 73.7 | 66.6 | 22.5 | |||
| GlcNAc-3-OAc-4-P-6-Gal (B2) | 1H | 4.73 | 3.85 | 5.10 | 4.25 | 3.82 | NDb | 1.93. | 2.04 | −0.9 |
| 13C | 100.3 | 54.1 | 74.3 | 71.9 | 73.3 | ND | 22.1 | 20.5 | ||
| GlcNAc-3-OAc-4-P (B3) | 1H | 4.73 | 3.85 | 5.09 | 4.12 | 3.59 | ND | 1.93 | 2.04 | −0.2 |
| 13C | 100.3 | 54.1 | 74.1 | 71.6 | 74.8 | ND | 22.1 | 20.5 | ||
| Glc (C) | 1H | 4.46 | 3.26 | 3.36 | 3.36 | 3.26 | 3.82/3.63 | NA | NA | |
| 13C | 101.9 | 72.9 | 75.4 | 69.4 | 75.5 | 60.4 | NA | NA | ||
| Gal (D) | 1H | 4.97 | 3.72 | 3.83 | 3.90 | 3.94 | 3.65 | NA | NA | |
| 13C | 98.3 | 68.4 | 69.4 | 69.2 | 70.8 | 71.2 | NA | NA |
a NA, not applicable.
b ND, not detected.