Relaxation dispersion data in "Learning millisecond protein dynamics from what is missing in NMR spectra"
Authors/Creators
Description
This repository contains
Fig5_archive.zip: Datasets comprising raw R2,eff values for all possible processed residues for the following proteins:
AQADK: Adenylate kinase, Shared by K. Henzler-Wildman (Henzler-Wildman et al. 2007)
BLAC: Beta-lactamase (TEM-1), Shared by M. Ubbink (Elings et al. 2019)
BLVRB: Biliverdin reductase B, Shared by E. Eisenmesser
CYPA: Cyclophilin A, Kern lab archive
KRAS: K-Ras, Publicly available at 10.5061/dryad.j6q573nm0
VHR: VH1-related phosphatase, Taken from V. Beaumont (2019) dissertation
Fig6_archive.zip: 15N CPMG relaxation dispersion data (R2,eff values) and analysis scripts used to prospectively test the Dyna-1 model on two proteins:
- Chi19 (Streptomyces coelicolor chitinase 19A): 205-residue enzyme
- Hypo (hypothetical protein YjbJ / UPF0234, PDB: 1RYK): 70-residue protein
If you use this data, please cite:
Wayment-Steele, H.K., El Nesr, G., et al. "Learning millisecond protein dynamics from what is missing in NMR spectra." Nature (2026).
Files
Fig5_archive.zip
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(47.2 MB)
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