Structural statistics: str target upper limits van der Waals torsion angles RDCs function # rms max # sum max # rms max # rms max 1 0.28 0 0.0001 0.00 2 0.7 0.26 0 0.0000 0.00 0 0.0697 0.41 2 0.30 0 0.0002 0.01 2 0.7 0.26 0 0.0004 0.00 0 0.1131 0.81 3 0.31 0 0.0001 0.01 2 0.7 0.26 0 0.0000 0.00 0 0.1190 0.78 4 0.30 2 0.0013 0.06 2 0.8 0.25 0 0.0145 0.12 0 0.1112 0.77 5 0.34 0 0.0003 0.01 2 0.9 0.26 0 0.0000 0.00 0 0.0557 0.37 6 0.32 2 0.0019 0.10 2 0.7 0.26 0 0.0813 0.68 0 0.2790 1.65 7 0.37 3 0.0012 0.05 2 0.8 0.26 0 0.0019 0.02 0 0.0852 0.49 8 0.38 5 0.0018 0.08 2 1.0 0.25 0 0.0379 0.31 0 0.1675 0.82 9 0.36 2 0.0027 0.15 2 0.8 0.26 0 0.0041 0.03 0 0.0928 0.69 10 0.35 2 0.0008 0.04 2 1.0 0.26 0 0.0000 0.00 0 0.0885 0.58 11 0.31 4 0.0026 0.14 2 0.9 0.26 0 0.0538 0.44 0 0.0722 0.51 12 0.33 4 0.0032 0.15 2 0.8 0.26 0 0.0229 0.19 0 0.0473 0.22 13 0.39 5 0.0032 0.14 2 0.8 0.26 0 0.0970 0.81 0 0.1242 0.72 14 0.34 2 0.0025 0.14 2 0.9 0.26 0 0.0000 0.00 0 0.1062 0.77 15 0.36 5 0.0034 0.14 2 0.8 0.26 0 0.0000 0.00 0 0.0730 0.51 16 0.35 7 0.0035 0.14 2 0.9 0.26 0 0.0000 0.00 0 0.0486 0.36 17 0.42 8 0.0022 0.06 2 1.2 0.26 0 0.0876 0.71 0 0.0814 0.45 18 0.38 4 0.0031 0.13 2 0.9 0.26 0 0.0030 0.02 0 0.0836 0.36 19 0.38 7 0.0030 0.12 2 1.3 0.26 0 0.0959 0.79 0 0.0614 0.31 20 0.40 11 0.0047 0.18 2 1.0 0.26 0 0.0337 0.28 0 0.0835 0.41 Ave 0.35 4 0.0021 0.09 2 0.9 0.26 0 0.0267 0.22 0 0.0982 0.60 +/- 3.65E-02 3 0.0013 0.06 0 0.2 0.00 0 0.0353 0.29 0 0.0502 0.30 Min 0.28 0 0.0001 0.00 2 0.7 0.25 0 0.0000 0.00 0 0.0473 0.22 Max 0.42 11 0.0047 0.18 2 1.3 0.26 0 0.0970 0.81 0 0.2790 1.65 Cut 0.02 0.20 5.00 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 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 ++++++++++++*+++++++ 0 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 : 0.987 +/- 0.002 (0.984..0.990, best in conformer 11) Q = rms(Dcalc-Dobs)/rms(Dobs): 15.594 +/- 1.046 % (13.670..17.154) Q normalized by tensor : 13.339 +/- 0.978 % (11.770..14.883) Alignment tensor magnitude : 13.158 +/- 0.170 Hz (12.919..13.588, best 13.191; input 13.191) Alignment tensor rhombicity : 0.265 +/- 0.023 (0.210..0.322, best 0.210; input 0.210) Orientation 2: Correlation coefficient : 0.973 +/- 0.004 (0.962..0.978, best in conformer 1) Q = rms(Dcalc-Dobs)/rms(Dobs): 22.193 +/- 1.511 % (20.196..26.183) Q normalized by tensor : 17.644 +/- 1.375 % (15.786..21.425) Alignment tensor magnitude : -1.233 +/- 0.030 Hz (-1.182..-1.287, best -1.220; input -1.220) Alignment tensor rhombicity : 0.343 +/- 0.016 (0.304..0.376, best 0.319; input 0.319) RMSDs for residues 12..66: Average backbone RMSD to mean : 2.10 +/- 0.52 A (1.32..3.35 A; 20 structures) Average heavy atom RMSD to mean : 2.47 +/- 0.45 A (1.85..3.75 A; 20 structures)