1V6B

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	20mM Sodium Phosphate buffer, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O	90% H2O/10% D2O	120mM	6.0	ambient	298
2	3D_13C-separated_NOESY	20mM Sodium Phosphate buffer, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O	90% H2O/10% D2O	120mM	6.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)