This visualization shows predicted chemical shift deltas calculated by SPARTA.
SPARTA is a database system for empirical prediction of backbone chemical shifts (N, HN, HA, CA, CB, CO) using a combination of backbone phi, psi torsion angles and sidechain chi1 angles from a given protein with known PDB coordinates. The SPARTA approach is an extension of the well-known observation that many kinds of secondary chemical shifts (i.e. differences between chemical shifts and their corresponding random coil values) are highly correlated with aspects of protein secondary structure. The goal of SPARTA is to use phi, psi, chi1 torsion angles and sequence information from proteins structure in order to make quantitative predictions for the backbone chemical shifts.
This visualization shows predicted chemical shift deltas for H, HA, C, CA, CB, and N. The leftmost view controls the model for which the delta shifts are shown. (Note that, when showing the values for the average of all models, drilling down on the data will show a model number of 0.)