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. Author manuscript; available in PMC: 2010 Mar 31.
Published in final edited form as: Proteins. 2007 Feb 15;66(3):559–574. doi: 10.1002/prot.21175

TABLE I.

Retinal Bond Orientations, θ (°)

System C5 C9 C13
Ground state 2H-NMRa 70 ± 3 128 ± 3 68 ± 2
Ground state simulationb,c 75 ± 11 129 ± 11 59 ± 14
Postisomerization simulationc,d 137 ± 15 80 ± 35 67 ± 15
a

NMR data from Salgado et al.29 Note that the bond orientation θ was not distinguished from its supplement π − θ in the NMR measurements. Errors correspond to inverse curvature matrix of the χ2 hypersurface utilized for the nonlinear regression fits.

b

40-ns Dark-adapted state simulation data from our previous work in Ref. 20.

c

Errors correspond to the standard deviation from the average values given.

d

150-ns Postphotoisomerization simulation data from this work.