What is the NMR Mapper?
NMR mapper converts raw NMR titration data into actionable information - chemical shift perturbation plots and 3D structural maps.
Imagine tracing positions of 200 NMR signals in a series of 30 spectra, and then mapping the results onto primary or 3D structure. NMR Mapper does this automatically.
How to use the NMR Mapper?
- Record NMR titration series (automated or manual)
- Upload the Bruker spectra from titrations and the peak list with peaks of interest into the Mapper web tool.
- [Optional] Provide PDB structure (residue numbers need to match the peaklist assignments) - to obtain the CSP mapping on the structure.
- Wait until Mapper traces the peaks, and outputs peak trajectories and peak intensity changes.