Electron spin-nuclear spin cross-correlation effects on multiplet splittings in paramagnetic proteins.
The effects of cross-correlation between Curie spin-nuclear dipole and nuclear dipole-nuclear dipole interactions on the linewidths and resonance frequencies of the individual lines of an AX multiplet in paramagnetic systems have been calculated. The implication of the relaxation-induced frequency shift of the lines (dynamic frequency shift) for the accurate measurement of residual dipolar couplings in field-oriented systems has been discussed. Our simulations indicate that these effects may play a role in the precise measurement of residual dipolar couplings in systems which belong to the small and intermediate tumbling regime, i.e., correlation times less than 5 ns.
Ghose
R
R
Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA.
Prestegard
J H
JH
D004578:Electron Spin Resonance Spectroscopy; D006801:Humans; D011506:Proteins / Q000737:chemistry*
D011506:Proteins