. Author manuscript; available in PMC: 2012 Mar 9.

Published in final edited form as: Structure. 2011 Mar 9;19(3):349–360. doi: 10.1016/j.str.2010.12.018

Table 2.

NRC NMR solution structure statistics

RMSD statistics		NOE distance constraints
Number of residues	86 (12–97)^a	Total	1354
Backbone (Ǻ)	1.00±0.26	Intraresidual (i,i)	327
Heavy atom (Ǻ)	1.92±0.24	Sequential (i,i+1)	358

¹⁵N-¹H RDC		Short-range (i,i+2)	127

Number of constraints	53	Medium-range (i,i+3)	175
D_P = 14.06	\| =0.545	Long-range (i,i+j; j ≥ i + 4 )	367

NMR structure calculation is performed using CYANA via the UNIO interface as described in Supplementary Material. The structure statistics are obtained from the ensemble of 20 models generated at the end of 7 successive CYANA runs. N- and C-terminal residues with a low density of NOEs are excluded from RMSD calculations. RDC data were used at a late stage of refinement for further optimization of the models using XPLOR-NIH (Supplementary Material). Axiality (D_P) and rhombicity (|) are calculated from RDC data and the refined structure by XPLOR-NIH.

Residue range used for RMSD calculations.