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Proline ring conformations corresponding to a bistable jump model from 13 C spin‐lattice relaxation times
Author(s) -
Shekar S. C.,
Easwaran K. R. K.
Publication year - 1982
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360210802
Subject(s) - bistability , chemistry , formalism (music) , temperature jump , lattice (music) , crystallography , molecular physics , computational chemistry , physics , quantum mechanics , musical , art , acoustics , visual arts
A formalism for extracting the conformations of a proline ring based on the bistable jump model of R. E. London [(1978) J. Am. Chem. Soc. 100 , 2678–2685] from 13 C spin‐lattice relaxation times ( T 1 ) is given. The method is such that the relaxation data are only partially used to generate the conformations; these conformations are constrained to satisfy the rest of the relaxation data and to yield acceptable ring geometry. An alternate equation for T 1 of 13 C nuclei to that of London is given. The formalism is illustrated through an example.