. Author manuscript; available in PMC: 2008 Sep 2.

Published in final edited form as: Biochemistry. 2007 Apr 4;46(17):4943–4950. doi: 10.1021/bi061738h

Table 1.

Unambiguous distance constraints calculated from paramagnetic line broadening effects and used in the structural determination

Atom	I_ox/I_red	R₂^SP (Hz)	r^a (Å)
E35 (NH)	N/A^b	N/A^b	20 + 4Å
I37 (NH)	N/A^b	N/A^b	20 + 4Å
Y24 (NH)	0.209	80.8	22.4 ± 4Å
Q44 (HE21)	0.330	54.9	24.7 ± 4Å
Q44 (HE22)	0.330	54.9	24.7 ± 4Å
N46 (HD21)	0.330	54.9	24.7 ± 4Å
N46 (HD22)	0.330	54.9	24.7 ± 4Å
A22 (NH)	0.376	45.6	24.3 ± 4Å
A86 (NH)	0.504	30.4	25.4 ± 4Å
W48 (NH)	0.533	31.5	25.3 ± 4Å
W69 (HE1)	0.541	25.3	26.0 ± 4Å
A85 (NH)	0.574	26.2	25.9 ± 4Å
T89 (NH)	0.593	27.6	25.7 ± 4Å

Notes: Distance constraints between the spin label and the amide or sidechain protons of individual residues.

The peaks in the oxidized spectrum are too broad to be observed. In these cases, the distance constraints were set with upper bounds 20 Å plus 4 Å and no lower bound was used. Details are described in the Materials and Methods section.