N. Asakawa, H. Kurosu, I. Ando
Jan 20, 1994
Citations
0
Influential Citations
21
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract From the observation of solid-state 13C NMR chemical shifts of l -alanine residues which are contained in some peptides, and the 13C chemical shift calculations employing the coupled-Hartree—Fock method with gauge-invariant-atomic-orbital, it was found that the 13C chemical shift of the Cβ-carbon in the l -alanine residue is related to the main-chain dihedral angles, φψ, but that of the Cα-carbon is affected not only by dihedral angles but also by hodrogen-bonding structure. These results were successfully applied to the structural study of proteins in solution, ribonuclease H from Escherichia coli and basic pancreatic trypsin inhibitor.