Table 1. Structural statistics of the 12 lowest energy structures.
NMR derived constraints | Number of constraints |
Total distances (NOE) | 1038 |
Intraresidual distances (i = j) | 606 |
Sequential distances (|i−j| = 1) | 329 |
Short range distances (1<|i−j|≤4) | 92 |
Long range distances (|i−j|>4) | 11 |
Dihedral angle restraints | 226 |
J-coupling constant restraints | 80 |
Chemical shifts for CA/CB | 166 |