The pseudocontact shifts in paramagnetic metalloproteins

In paramagnetic metalloproteins there are many nuclei close to the paramagnetic center as a result of the folding of the protein chain. Such nuclei, if separated 

Once the Ax values and the molecular directions are obtained, the metal centered pseudocontact shifts can be calculated of nuclei which experience also contact and ligand centered pseudocontact shifts. With this procedure the contact plus ligand centered pseudocontact shift (which is small [100]) have been calculated for several systems. In Table 2.11 the data relative to the low spin iron(III) containing heme in cytochrome b are reported [101]. 

Besides low spin ferric heme containing proteins [102,103], four- [104] and five-coordinated [105] high spin cobalt(II)-containing proteins have been studied. Lanthanides have been used from the early times of NMR of paramagnetic molecules [106-108]. 

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