Determination of Dihedral Angles in Peptides through Experimental and Theoretical Studies of α-Carbon Chemical Shielding Tensors

摘要

A simple method for the determination of backbone dihedral angles in peptides and proteins is presented. The chemical-shift anisotropies (CSA) of the central alanine α-carbon in powdered crystalline tricpeptides, whose structures have been determined previously by X-ray crystallography, were measured by cross-polarization magic- angle-spinning nuclear magnetic resonance.