Titration_DB: NMR-monitored protein pH titration chemical shift data.

This archive contains a backup of the NMR titration_db database raw chemical shift data.<br> Reference: D. Farrell et al., “Titration_DB: Storage and analysis of NMR-monitored protein pH titration curves.,” Proteins, vol. 78, no. 4, pp. 843–857, 2009. This data was formerly hosted on an interactive website which is no longer active. The files are stored as csv format, one per protein. They are also split into three folders according to the nuclei whose chemical shifts were used to detect the measurement (1H,13C or 15 N). Much of this data was obtained from literature. A table in the zip file (titration_dataset_info.csv) associates the protein name with the original paper. Note that the database stored the pka values fit using a model to each residue dataset. This is not stored here. Also present is a file titdb.fs. This is a binary file that can only be opened using the PEATDB software. PEATDB (Protein Engineering Analysis Tool - Database) was an application for sharing, analysing and storing experimental and theoretical data from Protein Engineering experiments.<br> This is now legacy software and no longer maintained. It was used to allow interactive fitting of the titration data using the Ekin module.<br> It is still possible to install this software if you really need to. It is stored on github at https://github.com/dmnfarrell/peat. D. Farrell May 2019