ISDA: 2HZD

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	3D_13C-separated_NOESY	1.3 mM TEA U-15N, 13C, 100 mM phosphate buffer, 95% H2O, 5% D2O	100 mM NaCl	100 mM phosphate buffer, 95% H2O, 5% D2O	5.85	1	285
2	3D_15N-separated_NOESY	1.3 mM TEA U-15N, 13C, 100 mM phosphate buffer, 95% H2O, 5% D2O	100 mM NaCl	100 mM phosphate buffer, 95% H2O, 5% D2O	5.85	1	285

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength

NMR Refinement

Method	Details	Software
torsion angle dynamics, simulated annealing	?	1

NMR Ensemble Information

Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	25
Representative Model	1 (lowest energy)

Computation: NMR Software

#	Classification	Version	Software Name	Author