The NT1 values of the 13C atoms and the proton-proton scalar coupling established the existence of multiple conformations in N-acetyl-D-alloisoleucine. The principal (x1; X2,1) conformations in solution are those which exist in the crystal. Selective and nonselective proton spin-lattice relaxation rates of the NH, Hα, Hβ, Hγ11, Hγ12, Hγ2, and Hδ yielded Fi ratios (nonselective/monoselective relaxation rate) and cross-relaxation rates, a. The proton relaxation rates yielded correlation times and side chain conformational information and removed the 3Jv ø degeneracy. The proton relaxation mechanism is, within experimental error, exclusively dipolar. This combined scalar coupling constant, 13C, and proton relaxation study of stereochemistry, motion, and relaxation of the first-order couplcd amino acid N-acetyl-D-alloisoleucine establishes the potential of proton relaxation spectroscopy as a technique for studying individual amino acid residues in peptides and proteins. © 1980, American Chemical Society. All rights reserved.

Niccolai, N., Miles, M.P., Hehir, S.P., Gibbons, W.A. (1980). Solution structure, dynamics, and proton relaxation mechanisms of natural products and biopolymers. N-acetyl-D-alloisoleucine. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 102(4), 1412-1415 [10.1021/ja00524a030].

Solution structure, dynamics, and proton relaxation mechanisms of natural products and biopolymers. N-acetyl-D-alloisoleucine

Niccolai, Neri;
1980-01-01

Abstract

The NT1 values of the 13C atoms and the proton-proton scalar coupling established the existence of multiple conformations in N-acetyl-D-alloisoleucine. The principal (x1; X2,1) conformations in solution are those which exist in the crystal. Selective and nonselective proton spin-lattice relaxation rates of the NH, Hα, Hβ, Hγ11, Hγ12, Hγ2, and Hδ yielded Fi ratios (nonselective/monoselective relaxation rate) and cross-relaxation rates, a. The proton relaxation rates yielded correlation times and side chain conformational information and removed the 3Jv ø degeneracy. The proton relaxation mechanism is, within experimental error, exclusively dipolar. This combined scalar coupling constant, 13C, and proton relaxation study of stereochemistry, motion, and relaxation of the first-order couplcd amino acid N-acetyl-D-alloisoleucine establishes the potential of proton relaxation spectroscopy as a technique for studying individual amino acid residues in peptides and proteins. © 1980, American Chemical Society. All rights reserved.
1980
Niccolai, N., Miles, M.P., Hehir, S.P., Gibbons, W.A. (1980). Solution structure, dynamics, and proton relaxation mechanisms of natural products and biopolymers. N-acetyl-D-alloisoleucine. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 102(4), 1412-1415 [10.1021/ja00524a030].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11365/33087
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