Modeling Errors in NOE Data with a Log-normal Distribution Improves the Quality of NMR Structures

摘要

Nuclear Overhauser effect (NOE) data are routinely used to determine the structure of biomolecules.In a first-order approximation,the isolated spin pair approximation (ISPA) relates the intensity of an NOE to the inverse sixth power of the inter-proton distance.Molecular motion,spin diffusion,and experimental noise lead to additional contributions to cross-relaxation rates not captured by the ISPA.Calculated intensities will therefore differ from the true values.