Table 6.

Contributions to the sum of the average contact and ligand-centered pseudocontact shifts (ppm) for selected heme nuclei of Pa WT^a

	${\rho }_{\mathit{meso}}^{\pi }$	${\rho }_{\beta -\mathit{pyrrole}}^{\pi }$	${\rho }_{\alpha -\mathit{pyrrole}}^{\pi }$	${\rho }_{N-\mathit{pyrrole}}^{\pi }$
1H meso	1.5	-	-	-
13C methyl	-	−50.9	-	-
13C meso	−6.9	-	−36.2	-
13C β-pyrrole	-	25.0	−18.1	-
13C α-pyrrole	3.7	−50.9	27	−70.4

^aThe contributions from the spin density on each of the nuclei are shown independently. The data shown are for Pa WT at 25 °C, in units of ppm.