Before revision:  The 9 GHz EPR spectrum of the Aurora-A kinase was measured in order to study the dynamics of the MTSL spin label attached within the activation loop , MD provided information about the different motional contributions to the overall dynamics of the MTSL and about interactions between the MTSL and the residues of the protein . Data obtained from MD were seen to be in good agreement with those obtained from QM performed in previous work and with the experimental EPR data .
After revision:  The 9 GHz EPR spectrum of the Aurora-A kinase was measured in order to study the dynamics of the MTSL spin label attached within the activation loop , MD provided information about the different motional contributions to the overall dynamics of the MTSL and about interactions between the MTSL and the residues of the protein and spin label occurred on comparable timescales .