Electron spin-nuclear spin cross-correlation effects on multiplet splittings in paramagnetic proteins

J Magn Reson. 1997 Oct;128(2):138-43. doi: 10.1006/jmre.1997.1227.


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.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Electron Spin Resonance Spectroscopy*
  • Humans
  • Proteins / chemistry*


  • Proteins