1BA4

THE SOLUTION STRUCTURE OF AMYLOID BETA-PEPTIDE (1-40) IN A WATER-MICELLE ENVIRONMENT. IS THE MEMBRANE-SPANNING DOMAIN WHERE WE THINK IT IS? NMR, 10 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY				5.1		298
2	TOCSY				5.1		298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AMX-500	500
2	Bruker	DRX-500	600
3	Bruker	AMX-600	750
4	Bruker	DRX-750	750

NMR Refinement
Method	Details	Software
SIMULATED ANNEALING USING NOE DISTANCE CONSTRAINTS	REFINEMENT DETAILS CAN BE FOUND IN JOURNAL CITATION ABOVE.	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	LOW ENERGY, VIOLATIONS AND RMSD
Conformers Calculated Total Number	50
Conformers Submitted Total Number	10

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR		BRUNGER
2	structure solution	X-PLOR

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.