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. Author manuscript; available in PMC: 2010 Jul 15.
Published in final edited form as: J Am Chem Soc. 2009 Jul 15;131(27):9532–9537. doi: 10.1021/ja902436g

Figure 4.

Figure 4

Correlation between experimental and calculated 1HN-PRE values for structures computed via optimization of the protein backbone with simultaneous (A and B) or previous (C) optimization of the paramagnetic probe conformer(s). Plot A stems from a single-conformer probe representation, while plots B and C result from a three-conformer ensemble. The average overall Q-factor is indicated. See Table 1 for details.