A structural study of peptides and proteins containing L-alanine residues by 13 C NMR spectroscopy combined with ab initio chemical shift calculations
N Asakawa, H Kurosu, I Ando, A Shoji…
Index: Asakawa; Kurosu; Ando; Shoji; Ozaki Journal of Molecular Structure, 1994 , vol. 317, # 1-2 p. 119 - 129
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Citation Number: 37
Abstract
Abstract From the observation of solid-state 13 C NMR chemical shifts of l-alanine residues which are contained in some peptides, and the 13 C chemical shift calculations employing the coupled-Hartree—Fock method with gauge-invariant-atomic-orbital, it was found that the 13 C chemical shift of the C β-carbon in the l-alanine residue is related to the main-chain dihedral angles, φψ, but that of the C α-carbon is affected not only by dihedral angles but ...
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