Structural restraints
NOE-derived distance restraints
Intraresidue  439
Sequential  325
Medium (2 ≤ ∣i − j∣ ≤ 4)  337
Long (∣i − j∣> 4)  140
Total  1241



Cross-peak intensity categories
Very strong (0–2.3 Å)  23
Strong (0–2.8 Å)  219
Medium (0–3.5 Å)  641
Weak (0–5.0 Å)  358
Total  1241



Statistics for accepted structures
Number of accepted structures  45
CNS energy terms (kcal mol− 1) (mean ± SD)
 E (total)  633.1 ± 11.3
 E (van der Waals)  307.5 ± 3.9
 E (distance restraints)  35.6 ± 3.9
No distance violations greater than 0.35 Å
rmsd from the ideal geometry used within XPLOR
 Bond lengths (Å)  0.0065
 Bond angles (°)  0.68
 Improper angles (°)  0.37
Ramachandran statistics (%)
Residues 4–84  Residues 4–99
Most favored  93.5  94.0
Additionally allowed  6.1  5.6
Generously allowed  0.2  0.2
Disallowed  0.2  0.1
Atomic rmsd (Å) from the average structure (mean ± SD)
Residues 4–84  Residues 4–99
N, Cα, C atoms  0.41 ± 0.13  0.47 ± 0.13
All heavy atoms  0.92 ± 0.15  0.97 ± 0.13