. Author manuscript; available in PMC: 2010 Jul 15.

Published in final edited form as: J Am Chem Soc. 2009 Jul 15;131(27):9532–9537. doi: 10.1021/ja902436g

Table 2.

Correlation Between Experimental PREs and Those Calculated from Paramagnetic Probe Side Chains Optimized on the Fixed Backbone X-ray Coordinates of Bound GlnBP^a

	1 conformer^b	3 conformers^b
Overall Q (163)^c	0.29 ± 0.00	0.22 ± 0.00
Intra-domain Q (86)^c	0.29 ± 0.00	0.23 ± 0.00
Inter-domain Q (67)^c	0.28 ± 0.00	0.22 ± 0.00

Statistics on the 10 lowest-PRE energy structures out of 200.

Representation of paramagnetic probe.

Average PRE Q-factor for corresponding data set (number of restraints indicated in parenthesis).