Strychnine.m
Spin system of strychnine. Isotropic chemical shifts and J-couplings are taken from "200 and more NMR experiments: a practical course" by by Berger and Braun. Coordinates taken as those of the major confor- mer of strychnine proposed in http://dx.doi.org/10.1039/C0CC04114A Syntax:
[sys,inter]=strychnine(spins)
The 'spins' parameter is a cell array containing the isotopes to im- port, e.g. {'1H','13C'}.
Note: 13C-13C J-couplings are not provided - this file is only suitable for natural abundance 13C simulations.
Note: CSA tensors are not provided - relaxation theory treatments on top of this file would not account for CSA relaxation.
Note: only shifts and coordinates are provided for 15N nuclei.