We illustrate the approaches developed herein using the NiSAL-HDPT complex as an example. We follow a computational strategy similar to the one recently established for the calculation of field-independent shifts of this complex. For simplicity, we neglect the diamagnetic contribution to shielding and focus on the Fermi contact and pseudocontact paramagnetic shifts. The division into these two contributions is not unambiguous. Within the spin Hamiltonian approximation, the former corresponds to the part caused by the isotropic hyperfine coupling constant, while the latter derives from the anisotropic part of the hyperfine coupling tensor A.