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. Author manuscript; available in PMC: 2016 Feb 12.
Published in final edited form as: Angew Chem Int Ed Engl. 2015 Dec 10;55(4):1350–1354. doi: 10.1002/anie.201508898

Figure 3.

Figure 3

Model for first principles calculations of chemical shifts in the β subunit enzyme active site of tryptophan synthase. Side chains are shown in wireframe and the PLP-substrate as ball and stick.