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. Author manuscript; available in PMC: 2015 Jan 17.
Published in final edited form as: ACS Chem Biol. 2013 Nov 19;9(1):227–236. doi: 10.1021/cb400581f

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