Experiment: 1LS4

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1 mM apolipophorin-III, 15N/13C uniformly labeled, 200 mM phosphate buffer, 0.5 mM sodium Azide	95% H2O/5% D2O	200 mM phosphate	6.4	1 atm	303
2	3D_13C-separated_NOESY	1 mM apolipophorin-III, 15N/13C uniformly labeled, 200 mM phosphate buffer, 0.5 mM sodium Azide	95% H2O/5% D2O	200 mM phosphate	6.4	1 atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	50
Conformers Submitted Total Number	21
Representative Model	1 (minimized average structure)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	X-PLOR	3.851	Brunger
2	processing	NMRPipe	2.1	F. Delaglio
3	refinement	X-PLOR	3.851	Brunger

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.