I. Bertini et al., FROM NOESY CROSS PEAKS TO STRUCTURAL CONSTRAINTS IN A PARAMAGNETIC METALLOPROTEIN, Magnetic resonance in chemistry, 34(11), 1996, pp. 948-950
A method to take into account the effect of paramagnetic enhancements
of nuclear relaxation rates when extracting distance constraints from
the intensity of dipolar connectivities is presented, It is based on r
ecalculating the intensity of NOESY cross peaks from a structure with
consideration of paramagnetic relaxation. The method can be integrated
into any standard structure calculation procedure, and provides a sig
nificant improvement of resolution in the neighborhood of the paramagn
etic center.