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. Author manuscript; available in PMC: 2021 Aug 12.
Published in final edited form as: Chem Rev. 2020 Jun 29;120(15):7152–7218. doi: 10.1021/acs.chemrev.9b00813

Figure 11.

Figure 11.

Experimental (black) and simulated (red) linear IR spectra of a 310-helical hexapeptide Z-Aib-L-Leu-(Aib)2-Gly-OtBu in CDCl3 in the amide I and II regions.217 B1, B2, and B3 are six-site potential models,229 K is a four-site field/gradient model,318 G is a four-site potential model,217 and Em is a semiempirical model.78 The local amide I frequency was shifted from the gas phase value by the value reported in each panel. Reproduced from Figure 8 of Ref.217. Copyright 2010 The American Chemical Society.