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Correlation between observed and calculated pseudocontact shifts for Synechococcus Fe(III)GlbN-A after structural refinement using Δδ as restraints in addition to nuclear Overhauser effects, hydrogen bonds, and dihedral angles (δpc,calc = 0.997Δδ − 0.019, R2 = 0.9924). χ tensor information is provided in the Figures S19–S21
