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. 2021 Mar 1;296:100492. doi: 10.1016/j.jbc.2021.100492

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© 2021 The Authors

This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

Comparison of (3MPA/NO)-bound Av3MDO HYSCORE data (¹H region) collected at six field positions (173–200 mT) to simulations using parameters from the DFT optimized model. In each panel, experimental spectra are represented by the color contours, whereas simulations are overlaid in black contours. Data were collected from 173 to 200 mT using the following instrumental parameters: microwave frequency, 9.78 GHz; temperature, 5 K; pulse repetition rate, 1.25 kHz; τ, 120 ns. Additional instrumental parameters are described in detail in Experimental procedures.