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Best fits of the 51 V-hyperfine parameters (Eq. 1) of VO2+ bound to various equatorial ligands of sCD39 under different conditions.
| Calculated | ||||||
| Species | Most Probable Equatorial Ligands | |||||
| g|| | A|| | |||||
| T | 1.9445 | 504.25 | RNH2 | RCOO | Pi | Pi |
| D1 | 1.9390 | 520.95 | H2O | RCOO | Pi | Pi |
| D2 | 1.9435 | 490.01 | ROH | RCOO | RCOO | Pi |
| V | 1.9500 | 485.36 | ROH | ROH | H2O | H2O |
