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. 2009 Nov 11;38(2):683–694. doi: 10.1093/nar/gkp956

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© The Author(s) 2009. Published by Oxford University Press.

This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.5/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 3. — Superposition of 20 structures with the lowest overall energy after refinement in explicit water as calculated with different NMR data sets (A–D). The RMSD is related to overall (residues 2–13), stem (residues 2–6, 10–13) and loop (residues 6–9). (A) Only NOE distance restraints (orange). (B) NOEs + RDCs (blue). (C) NOEs + dihedrals (green). (D) NOEs + dihedrals + RDCs (red). The RDCs were backcalculated using the software PALES (66) and the correlation coefficients are only mentioned for those structures that are calculated without this restraint data set.