Fig. 2.

Chemical shift deviations from the random coil values in the protein nsp3(513–651). Values of ΔδC^α and ΔδC^β were determined within the program package ATNOS/CANDID (Herrmann et al. 2002a, b) by subtracting the random coil shifts from the experimentally determined chemical shifts. The Δδ_i value for a residue i represents a three-point average over the three consecutive residues i − 1, i and i + 1, calculated as Δδ_i =  (Metzler et al. 1993). A positive value for Δδ_i indicates that residue i is located in a regular helical structure, while a negative value indicates its location in a regular β-strand. Tentative positions for regular secondary structures indicated at the top of the figure, were obtained with the criterion that |Δδ_i| ≥ 1 for three or more contiguous residues