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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases
bit Xplor-NIH VMD-XPLOR
PRE

PRE

For each PREPot term, print the root mean square fit of calculated to experimental values, the Q-factor, the correlation, the overall correlation time and the number of violations of this term.

Please see
J. Iwahara, C.D. Schwieters and G.M. Clore. "Ensemble approach for NMR structure refinement against 1H paramagnetic relaxation enhancement data arising from a flexible paramagnetic group attached to a macromolecule," J. Am. Chem. Soc. 126, 5879-5896 (2004).

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