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Limiting values of 15N chemical shift at high-pH a
| Tautomer | Canonical (ppm) |
DFT-Computed (ppm) |
||
|---|---|---|---|---|
| 15Nε2 | 15Nδ1 | 15Nε2 | 15Nδ1 | |
| Nδ1-H | 249.5 | 167.5 | 266.5 | 183.5 |
| Nε2-H | 167.5 | 249.5 | 167.5 | 261.5 |
The canonical limiting values are those listed by Pelton et al. (13). See the text for details about the derivation of the DFT-computed limiting values.
