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Dihedral‐angle dependence of the vicinal 15 N, 13 C spin‐coupling constants. A new NMR parameter for the conformational analysis of amino acids and peptides
Author(s) -
Kainosho Masatsune,
Tsuji Takashi
Publication year - 1981
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270170111
Subject(s) - vicinal , dihedral angle , coupling constant , chemistry , j coupling , amino acid , spin (aerodynamics) , crystallography , coupling (piping) , stereochemistry , computational chemistry , nuclear magnetic resonance spectroscopy , physics , materials science , molecule , organic chemistry , thermodynamics , quantum mechanics , hydrogen bond , biochemistry , metallurgy
The first successful observation of the vicinal 15 N, 13 C spin‐coupling constants in a series of amino acids, comprising Val, Ile, Leu and Thr, in which the α‐nitrogens are fully replaced with 15 N, is described. A Karplus‐type dihedral‐angle dependence was noted for the coupling constants between the α‐nitrogen and γ‐carbon nuclei which may, in turn, be applied to the conformational analysis of other amino acids and small peptides. The potential usefulness and limitation of this new parameter in such applications is briefly discussed.