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- W2043131405 abstract "Abstract High-precision heteronuclear three-bond coupling constants including3J(HN, C′),3J(HN, Cβ),3J(Hα,Cγ), and3J(Hβ, C′) are determined for the nonproline residues in uniformly13C-enrichedantamanide,cyclo-(-Val1-Pro2-Pro3-Ala4-Phe5-Phe6-Pro7-Pro8-Phe9- Phe10-), using quantitative numerical 2D NMR spectrum evaluation based on the product-operator formalism. The experimental basis comprises two-dimensional1H,13C-heteronuclear relayed E.COSY spectra [J. M. Schmidt, R. R. Ernst, S. Aimoto, and M. Kainosho,J. Biomol. NMR6,95 (1995)], the multiplet patterns of which are subjected to iterative least-squares 2D multiplet-simulation procedures. Accuracy and precision of the spectrum fit are assessed byFstatistics and analysis of variances (ANOVA) leading to confidence intervals for the optimized spin-system parameters. The long-range J coupling constants obtained and their standard deviations provide the experimental foundation for a later detailed analysis of φ and χ1dihedral-angle equilibrium conformations contributing to the flexible peptide structure." @default.
- W2043131405 created "2016-06-24" @default.
- W2043131405 creator A5014971364 @default.
- W2043131405 date "1997-02-01" @default.
- W2043131405 modified "2023-09-27" @default.
- W2043131405 title "Conformational Equilibria in Polypeptides. I. Determination of Accurate3JHCCoupling Constants in Antamanide by 2D NMR Multiplet Simulation" @default.
- W2043131405 doi "https://doi.org/10.1006/jmre.1996.1034" @default.
- W2043131405 hasPublicationYear "1997" @default.
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