Table 2.

Distance-based proposed assignment of the paramagnetic NMR spectrum of oxidized MitoNEET. In the assignment columns, bold text indicates the proposed assignment according to 1D NOE experiments.

Cys-72	Assignment	Cys-74	Assignment	Cys-83	Assignment	His-87	Assignment
Dist to Fe ${}_{\mathrm{1}}$  Å		Dist to Fe ${}_{\mathrm{1}}$  Å		Dist to Fe ${}_{\mathrm{2}}$  Å		Dist to Fe ${}_{\mathrm{2}}$  Å
H ${}_{\mathrm{N}}$ 5.54	8.61	H ${}_{\mathrm{N}}$ 3.54	Beyond detection	H ${}_{\mathrm{N}}$ 5.61	${}^{\mathrm{a}}$	H ${}_{\mathrm{N}}$ 3.16	Beyond detection
H ${}^{\mathit{\alpha }}$ 3.21	Beyond detection	H ${}^{\mathit{\alpha }}$ 4.90	Signal F/n.o.	H ${}^{\mathit{\alpha }}$ 3.39	Beyond detection	H ${}^{\mathit{\alpha }}$ 4.99	${}^{\mathrm{b}}$
H ${}^{\mathit{\beta }\mathrm{2}}$ 3.47	Beyond detection	H ${}^{\mathit{\beta }\mathrm{2}}$ 4.25	Signal A–E	H ${}^{\mathit{\beta }\mathrm{2}}$ 3.33	Beyond detection	H ${}^{\mathit{\beta }\mathrm{2}}$ 4.39	n.o./Signal F
			Signal D
H ${}^{\mathit{\beta }\mathrm{3}}$ 4.35	Signal A–E	H ${}^{\mathit{\beta }\mathrm{3}}$ 3.27	Beyond detection	H ${}^{\mathit{\beta }\mathrm{3}}$ 4.32	Signal A–E	H ${}^{\mathit{\beta }\mathrm{3}}$ 2.98	Beyond detection
	Signal E				Signal C
						H ${}^{\mathit{\epsilon }\mathrm{1}}$ 3.06	Beyond detection
						H ${}_{\mathrm{N}}^{\mathit{\epsilon }\mathrm{2}}$ 4.94	Signal B
						H ${}^{\mathit{\delta }\mathrm{2}}$ 5.18	Signal A–E
							Signal A

${}^{\mathrm{a}}$  To be assigned from HSQC-AP experiments. ${}^{\mathrm{b}}$  Not affected by paramagnetic shift. n.o.: not observed.