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. Author manuscript; available in PMC: 2008 Jul 30.
Published in final edited form as: J Phys Chem B. 2008 May 13;112(22):6814–6827. doi: 10.1021/jp709730b

Figure 5.

Figure 5

Bond length alternation along the polyene chain of the PSB 11-cis-retinal chromophore of Rh. Comparison of (a) the MM-fitted values in the X-ray structures (pdb codes: 1U19,29 1L9H,36 1F88,37 and 1HZX;38 chain A), an NMR structure with pdb code of 1JFP,39 and the high resolution double-quantum solid-state NMR data62 for the C10–C15 moiety including vibrational correction that have confidence level of ± 0.025 Å, (b) the results of present ONIOM calculations, and (c) NMR experiments and DFT-EE results.