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Comparison between experimental and MD-derived order parameters for D3. Order parameters obtained for C1′, C3′ and C6/8 from the Modelfree analysis of R1, R2: 1,2 as lower index and the heteronuclear NOE are shown as filled diamonds. Order parameters extracted from the MD trajectory for the 10 converged residues are shown as open diamonds. Individual order parameters have been extracted for the two symmetry-related strands of D3.
