The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis.

ABSTRACT: Multidimensional NMR spectra are the basis for studying proteins by NMR spectroscopy and crucial for the development and evaluation of methods for biomolecular NMR data analysis. Nevertheless, in contrast to derived data such as chemical shift assignments in the BMRB and protein structures in the PDB databases, this primary data is in general not publicly archived. To change this unsatisfactory situation, we present a standardized set of solution NMR data comprising 1329 2-4-dimensional NMR spectra and associated reference (chemical shift assignments, structures) and derived (peak lists, restraints for structure calculation, etc.) annotations. With the 100-protein NMR spectra dataset that was originally compiled for the development of the ARTINA deep learning-based spectra analysis method,

SUBMITTER: Klukowski P 

PROVIDER: S-EPMC10767026 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature