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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

Figure 3.

Figure 3

A. FTIR spectra of OxyT in TPP buffer taken at various temperatures (5 °C – 90 °C); B. 2D IR spectrum of OxyT under the same solvent condition at 10 °C; C. DFT calculated IR spectra for the three OxyT tautomers using QChem. The frequencies have been scaled by 0.9614; D. Temperature dependence of populations of tautomers of OxyT. The populations were obtained from fitting the variable temperature FTIR spectra (Figure S6). Representative error bars are shown at 90 °C and are roughly independent of temperature.