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. Author manuscript; available in PMC: 2010 Aug 13.
Published in final edited form as: J Phys Chem B. 2009 Aug 13;113(32):11260–11273. doi: 10.1021/jp900245s

Figure 4. 2D-IR spectra of Villin headpiece at 23° C.

Figure 4

Real part of the absorptive 2D-IR spectrum of HP35 in neat D2O (T = 0) at 23° C focusing on: (a) the whole frequency range for the carbonyl stretches; (b) the diagonal peaks from Asp and Glu ionizable side chains; (c) the cross peaks arising due to the coupling between the ionizable side chains and the main amide-I bands; and (d) the cross peaks arising between the COOH side chain of Asp and Glu and the TFA.