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Histidine Side Chain 1H and 15N Chemical Shifts and pKa Values in 0 and 50 mM Phosphate
| Residue | Atom | Sodium phosphate (mM) | pKa | δAH+ (ppm) | δA (ppm) |
|---|---|---|---|---|---|
| His 25 | Hɛ1 | 0 | 5.7 | 8.6988 | 7.8069 |
| 50 | 5.9 | 8.6604 | 7.8069 | ||
| Hδ2 | 0 | 5.6 | 7.3276 | 6.9035 | |
| 50 | 5.8 | 7.2817 | 6.9239 | ||
| Nɛ2 | 0 | 5.7 | 189.5488 | 194.7319 | |
| 50 | 5.7 | 189.5682 | 194.3376 | ||
| His 17 | Hɛ1 | 0 | 6.6 | 8.6791 | 7.7668 |
| 50 | 6.7 | 8.6586 | 7.7599 | ||
| Hδ2 | 0 | 6.5 | 7.4307 | 7.060 | |
| 50 | 6.7 | 7.4061 | 7.0288 | ||
| Nɛ2 | 0 | 6.7 | 189.1804 | 193.0362 | |
| 50 | 6.6 | 189.2218 | 192.720 |
