Fig. 7.

Plots of δ versus predicted chemical shift (δ_pred), calculated by Pace regression as described in the text. a–h Data for triplets that are fully canonical (a) (rmsd = 0.050) or include a single non-canonical element, b 3′-terminal residue (3ter), rmsd = 0.054; c loop, bulge or stacked non-BP residue immediately 5′ to the triplet, rmsd = 0.066; d GU wobble at the center of an otherwise canonical triplet (GU), rmsd = 0.073; e loop, bulge or stacked non-BP residue immediately 3′ to the triplet (3ter), rmsd = 0.053; f 5′-terminal residue within the triplet (5ter), rmsd = 0.054; g 5′-residue of the triplet is involved in a GU wobble interaction (preWob), rmsd = 0.057; h 3′-residue of the triplet is involved in a GU wobble interaction (sucWob), rmsd = 0.057; i all data, including triplets with multiple non-canonical elements, rmsd = 0.056