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1H-HYSCORE simulations (red contours) for the 5 protons of His-99, His-255 and taurine that are closest to the {FeNO}7 paramagnetic center for TauD[taurine]NO. Spin Hamiltonian parameters for the simulations are provided in Table 2. Plotting thresholds for the simulations were adjusted to facilitate comparison with the experimental data (colored contours).
