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. Author manuscript; available in PMC: 2020 Aug 13.
Published in final edited form as: J Chem Theory Comput. 2019 Jul 10;15(8):4708–4720. doi: 10.1021/acs.jctc.9b00397

Figure 3.

Figure 3.

Calculated (lines) and experimental (grey bars) PRE effects induced by paramagnetic spin labelling at residues 7 (top row) and 61 (bottom row). Red and green traces are calculated from independent control and folding simulations, respectively.