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Calculated NMR restraint values versus experiment. Calculated numbers are the average and SD of back-calculated distances from NOE atom pairs sampled during 10 (a) −Mg2+ and (b) +Mg2+ simulations, colored by intra SLI (black), intra SLV (red) and inter SLI-SLV (blue) NOEs, and (c) RDC restraints calculated for 1000 frames per Mg2+ simulation colored by simulation. The linear fit and correlation coefficient for the combined data is presented. To see this figure in color, go online.
