Table 1.

Structure statistics

NOE restraints
Total	1,086
Intraresidue	548
Sequential	263
Medium range	87
Long range	188
φ dihedral angle restraints	26
Hydrogen bond restraints	30
Deviation from experimental restraints
Distance restraints, Å	0.014  ±  0.003
Dihedral restraints, deg	0.17  ±  0.09
Deviation from idealized covalent geometry
Bonds, Å	0.002  ±  0.000
Angles, deg	0.48  ±  0.01
Impropers, deg	0.359  ±  0.005
Backbone rms deviation, Å
〈SA〉 to 〈〉 residues A147-L226	1.45  ±  0.16
〈SA〉 to 〈〉 all β-strands	0.80  ±  0.08

〈SA〉 stands for the ensemble of 20 NMR structures and 〈〉 is the average structure of the ensemble calculated by using x-plor. The parameter used to calculate the van der Waals (vdw) repulsion energy was 0.75 rather than 0.80 (47).