Table 1.

NMR and structure refinement statistics.

Experimental restraints used in structure calculation and refinement
Distance restraints
NOE restraints	447
hydrogen bond restraints	17
MTSL PRE restraints	18
Orientation restraints
HN RDC restraints	55
Dihedral angle restraints
fromTALOS	41
Micelle depth restraints
Mn PRE restraints	2
aStructure statistics parameters (RMSD)
Violations from restraints
Distance restraints (Å)	0.082
Dihedral angle restraints (°)	2.029
HN RDC restraints (Hz)	0.310
b HN RDC R factor (Hz)	0.070
Deviation from idealized geometry
bonds (Å)	0.005
angles (°)	0.804
impropers (°)	0.764
c φ/ψ in most favored region (%)	88.5
dAverage pairwise RMSD
backbone atoms (Å)	0.128
heavy atoms (Å)	7.515
dAverage RMSD from mean structure
backbone atoms (Å)	0.882
heavy atoms (Å)	5.257

^aCalculated for 20 lowest energy structures out of a total 40 calculated structures.

^bCalculated according to Clore and Garrett (38).

^cCalculated with PROCHECK.

^dCalculated for the structured regions of the protein from residues 13–44 and 60–69.