(a) Accuracy of identifying Smotifs from CS data using structural fingerprints. Accuracy of selection (in RMSD) is shown as a function of loop length for the helix-helix sub-type. The best available Smotifs present in the library (theoretical limit), the best Smotif selected by CS matching and the average of the top 8 Smotif selected are shown in green, blue and red, respectively. Standard deviations are shown. (b) Illustration of pre-calculated structural weights for each type of CS. For each residue type, preceding residue type, atom type the secondary structural preferences are obtained (helical, strand and coil in blue, red and green, respectively). The largest relative frequency is reduced by the second largest value for each normalized chemical shift value to obtain a relative weight (in black), which correlates with the information content carried by the normalized chemical shift value. The example shown here corresponds to the C atom of the Ala-Met dipeptide.