This is a little (okay, a lot) overdue, but hey, I published a paper last year! As first author! Here's the cite, if anyone's interested:
Jordan, DM, KM Mills, I Andricioaei, A Bhattacharya, K Palmo, ERP Zuiderweg, "Parameterization of peptide 13C carbonyl chemical shielding anisotropy in Molecular Dynamics simulations." ChemPhysChem 8 (9) 1375-
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