PRE Calculator (simple version)

Reference (please quote when using this program):

Anthis, N.J. & Clore, G.M. (2015) Visualizing transient dark states by NMR spectroscopy. Q. Rev. Biophys. 48, 35-116. Pubmed PDF

Input your parameters to calculate the longitudinal and transverse paramagnetic relaxation enhancement (PRE) rates for a molecule:

B0 field (MHz):

Distance between nucleus and paramagnetic center (Å):

Electron spin number:

Rotational correlation time (ns):

Electron relaxation time (ns):

Order parameter (S2, 0 - 1):

Nucleus type (1H, 13C, or 15N):

All PRE calculators: