Paramagnetic Pseudocontact Shift Restraint

Nuclei experience a pseudocontact shift in the presence of certain paramagnetic metals. The extent of the shift is related to the distance between the nucleus and the paramagnetic metal and the orientation of the metal suspectibility tensor.

The values of the magnetic anisotropy tensor are not known a priori and must be fit using the restraints and the calculated structures. See Banci et al. (2004) for details.


Xplor-NIH 2023-11-10