Table 2.
The calculated 4'-18O BIEs from interconversion of tautomers of OxyT. BIEs were calculated using ISOEFF98 and Gaussian09.
Interconversion of Tautomers | 4'-18O BIEs |
---|---|
4'-keto-N3'H-OxyT to 4'-keto-N1'H-OxyT | 0.998 |
4'-enol-OxyT to 4'-keto-N3'H-OxyT | 0.999 |
4'-enol-OxyT to 4'-keto-N1'H-OxyT | 1.002 |