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. Author manuscript; available in PMC: 2014 Nov 18.
Published in final edited form as: Inorg Chem. 2013 Nov 4;52(22):10.1021/ic401250d. doi: 10.1021/ic401250d

Table 4.

Calculated average spin densities for selected heme nuclei of Pa WT and comparison to Pa F7A

Pa WT (F7A–WT)
meso 13C −0.00090 4.3 × 10−4
β-pyrrole 13C 0.012 −2.1 × 10−4
α-pyrrole 13C 0.0044 4.2 × 10−4
N-pyrrole 13C 0.017 8.1 × 10−4