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13C-NMR chemical shifts and the conformations of rigid polypeptides

✍ Scribed by Alan E. Tonelli

Publisher
Wiley (John Wiley & Sons)
Year
1984
Tongue
English
Weight
592 KB
Volume
23
Category
Article
ISSN
0006-3525

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✦ Synopsis

Abstract

^13^C‐nmr chemical shifts of backbone carbonyl and side‐chain β‐carbons in polypeptides provide structural information. Recent utilization of substituent effects on ^13^C‐nmr chemical shifts (principally γ‐effects) has permitted the rationalization of their sequence and conformation dependence when observed in linear, flexible polypeptides. In this report, we apply the γ‐effect method to study the ^13^C‐nmr chemical shifts observed in solution and in the solid state for the backbone carbonyl and side‐chain β‐carbons in conformationally rigid polypeptides, which are usually cyclic. As found previously for flexible, linear polypetides, the relative ^13^C‐nmr chemical shifts observed for the backbone carbonyl and side‐chain β‐carbons in conformationally rigid polypeptides are predictable from knowledge of their peptide residue sequence (primary structure) and conformation (secondary structure) via the γ‐effect method.

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