Structural statistics: str target upper limits van der Waals torsion angles RDCs function # rms max # sum max # rms max # rms max 1 0.30 0 0.0003 0.02 2 0.9 0.25 0 0.0343 0.26 0 0.0760 0.58 2 0.36 8 0.0018 0.06 2 1.2 0.26 0 0.0865 0.43 0 0.1033 0.83 3 0.37 4 0.0014 0.05 2 1.1 0.26 0 0.0225 0.13 0 0.1449 1.02 4 0.37 8 0.0032 0.14 2 1.1 0.25 0 0.0220 0.17 0 0.0531 0.30 5 0.34 5 0.0036 0.17 2 1.0 0.26 0 0.0123 0.10 0 0.1036 0.74 6 0.34 4 0.0024 0.11 2 1.2 0.25 0 0.0166 0.11 0 0.1170 0.86 7 0.40 3 0.0026 0.11 2 1.1 0.26 0 0.0577 0.39 0 0.1081 0.67 8 0.35 3 0.0034 0.17 2 1.2 0.26 0 0.1599 1.21 0 0.1332 0.80 9 0.36 3 0.0026 0.13 2 1.2 0.26 0 0.0523 0.32 0 0.0838 0.52 10 0.35 9 0.0031 0.14 2 1.2 0.25 0 0.0202 0.17 0 0.1432 0.95 11 0.39 7 0.0039 0.15 2 1.2 0.26 0 0.0172 0.14 0 0.0967 0.66 12 0.39 4 0.0030 0.15 2 1.3 0.26 0 0.0495 0.37 0 0.1148 0.65 13 0.39 5 0.0021 0.08 2 1.4 0.26 0 0.1496 1.16 0 0.1498 1.03 14 0.44 11 0.0022 0.06 2 1.5 0.26 0 0.0215 0.14 0 0.2532 1.57 15 0.44 10 0.0052 0.23 2 1.2 0.26 0 0.0177 0.11 0 0.1732 1.23 16 0.49 9 0.0027 0.08 2 1.7 0.26 0 0.1400 1.15 0 0.1866 1.32 17 0.44 4 0.0021 0.11 2 1.6 0.26 0 0.0000 0.00 0 0.1094 0.57 18 0.46 5 0.0041 0.21 2 1.5 0.26 0 0.0045 0.04 0 0.0970 0.67 19 0.43 11 0.0049 0.15 2 1.5 0.26 0 0.1710 1.18 0 0.1188 0.74 20 0.43 5 0.0042 0.17 2 1.6 0.25 0 0.0695 0.35 0 0.1899 1.38 Ave 0.39 6 0.0029 0.12 2 1.3 0.26 0 0.0562 0.40 0 0.1278 0.86 +/- 4.61E-02 3 0.0012 0.05 0 0.2 0.00 0 0.0541 0.41 0 0.0450 0.31 Min 0.30 0 0.0003 0.02 2 0.9 0.25 0 0.0000 0.00 0 0.0531 0.30 Max 0.49 11 0.0052 0.23 2 1.7 0.26 0 0.1710 1.21 0 0.2532 1.57 Cut 0.02 0.20 5.00 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLN 53 - HG2 GLN 53 4.19 9 0.03 0.09 + + + ++++ + * peak 752 Upper HA GLU 67 - H LEU 68 3.34 6 0.01 0.05 + + + ++ * peak 367 VdW N ALA 31 - HD2 PRO 32 2.45 20 0.20 0.20 +++++++++++++++++++* VdW CB ALA 31 - CD PRO 32 3.20 20 0.26 0.26 +*++++++++++++++++++ 2 violated distance restraints. 2 violated van der Waals restraints. 0 violated angle restraints. 0 violated residual dipolar coupling restraints. RDC statistics: Orientation 1: Correlation coefficient : 0.986 +/- 0.001 (0.983..0.988, best in conformer 8) Q = rms(Dcalc-Dobs)/rms(Dobs): 16.247 +/- 0.742 % (14.942..18.017) Q normalized by tensor : 13.792 +/- 0.633 % (12.634..15.256) Alignment tensor magnitude : 13.194 +/- 0.151 Hz (12.917..13.514, best 13.228; input 13.228) Alignment tensor rhombicity : 0.288 +/- 0.019 (0.257..0.323, best 0.294; input 0.294) Orientation 2: Correlation coefficient : 0.970 +/- 0.004 (0.963..0.976, best in conformer 1) Q = rms(Dcalc-Dobs)/rms(Dobs): 23.403 +/- 1.553 % (20.879..25.908) Q normalized by tensor : 18.720 +/- 1.405 % (16.210..21.021) Alignment tensor magnitude : -1.218 +/- 0.029 Hz (-1.167..-1.268, best -1.247; input -1.247) Alignment tensor rhombicity : 0.368 +/- 0.028 (0.318..0.427, best 0.392; input 0.392) RMSDs for residues 12..66: Average backbone RMSD to mean : 2.00 +/- 0.43 A (1.25..2.89 A; 20 structures) Average heavy atom RMSD to mean : 2.39 +/- 0.37 A (1.84..3.23 A; 20 structures)