The hfcs reported by Chrysina et al. and Marchiori et al. were obtained from simulations of their EDNMR spectra using the salt routine which simulates ENDOR spectra. Implementing the EDNMR specific horseradish routine we now use the two hyperfine coupling parameter sets, open cubane and closed cubane, in Table , to simulate the exact EDNMR spectra at 94 GHz (Figure ). The EDNMR spectra are simulated at the low, 1.98 T, and high, 4.4 T, field positions of the W-band EPR spectrum to selectively observe only the single quantum EPR transition, ms = |-3>  |-2>, of the methanol treated species as described previously. Simulations were performed individually for the coupling to each Mn nucleus and then summed, following an approach previously used in the analysis of ENDOR data with couplings to multiple nuclei, before application of a Lorentzian function with a FWHM = 400 MHz to correct for the inhomogeneities of the B1 field across Table : Calculated isotropic (Aiso) and anisotropic (Tnn) Mn and (black); simulated spectra using the hfcs from Table