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. Author manuscript; available in PMC: 2019 Jul 5.
Published in final edited form as: J Phys Chem B. 2018 Jun 21;122(26):6673–6689. doi: 10.1021/acs.jpcb.8b02144

Figure 3. Comparison of the correspondence between MD-derived and experimental chemical shifts.

Figure 3

The correlation coefficients (left column) and RMSEs (right column) for the chemical shift correspondence for EnHD (top row) and RNase H (bottom row) are shown, stratified by nucleus type.