Solution Domain Dynamics of Monomeric SARS-CoV-2 Main Protease Revealed by Optimized NMR Residual Dipolar Coupling Measurements.

Bruker-format pulse sequence code, data, macros, and XPLOR input files for the paper titled “Solution Domain Dynamics of Monomeric SARS-CoV-2 Main Protease Revealed by Optimized NMR Residual Dipolar Coupling Measurements.” The XPLOR-NIH folder contains the scripts, input files, and all restraints used for structure calculations. The AlphaFold folder contains all the AlphaFold2 predicted structures. Pulse sequence code for the quantitative-J and TATER methods is provided in the Pulse Programs folder. The setup macros for each experiment can be found in the BrukerAu Macros folder, and the CCPN macro for extracting RDCs is located in the CCPN Macros folder.