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pKa values in low salt of some backbone carbonyl carbons that displayed pH-dependent chemical shift differences; the values are determined within ±<0.1 pH units
| Residue | pKa value from carbonyl carbon | Δppm |
|---|---|---|
| Y3 | 4.9 | −0.3 |
| K4 | 4.7 | −0.4 |
| G9 | 4.5 | 0.9 |
| K10 | 3.9 | 1.0 |
| G14 | 4.4/6.8 | −0.2/0.2 |
| T17 | 4.6 | 0.2 |
| E19 | 3.8 | 0.3 |
| V21 | 3.0 | −0.4 |
| A23 | 3.0 | 0.5 |
| K28 | 4.0 | 0.3 |
| Q32 | 4.1 | −0.7 |
| D36 | 4.1 | 1.3 |
| G38 | 6.6 | 0.2 |
| G41 | 3.1 | 0.2 |
| E42 | 5.1 | 0.2 |
| D47 | 3.2 | 1.3 |
| A48 | 3.4 | 0.5 |
| T49 | 3.7 | −0.3 |
| T51 | 5.1 | -0.3 |
| T53 | 4.7 | 0.2 |
