Chemical shift tensor - the heart of NMR: Insights into biological aspects of proteins.

1.1 A brief account of the chemical shift The chemical shift of a nucleus, i, in a molecule arises from the nuclear shielding effect of an applied magnetic field, caused by an induced magnetic field resulting from circulation of surrounding electrons [1–6]. The magnitude of such an induced magnetic field is proportional to the strength of the applied external magnetic field B0, so that the effective field Beff at the nucleus is given as Beff=B0(1−σi) (1) where σi is the second-rank nuclear shielding tensor and 1 is the unit matrix. In normal NMR experiments B0 is a uniform field along the z-axis; therefore, σi= σizz. The resonance NMR frequency, νi, of a given nucleus in a molecule is thus related to its gyromagnetic ratio, γi, as given by

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