1ZWU

30 NMR structures of AcAMP2-like peptide with non natural beta-(2-naphthyl)-alanine residue.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D TOCSY	2.92 mM AcAMP2F18Nal; 20 mM Phosphate buffer; 90% H20, 10% D20	90% H20, 10% D20	100 mM NaCl	5.6	ambient	298
2	2D NOESY	2.92 mM AcAMP2F18Nal; 20 mM Phosphate buffer; 90% H20, 10% D20	90% H20, 10% D20	100 mM NaCl	5.6	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AMX	500

NMR Refinement
Method	Details	Software
The structures are based on 348 NOE-derived distance constraints and 18 come from cys-cys disulfide bridges		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	50
Conformers Submitted Total Number	30
Representative Model	5 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.2	Bruker
2	data analysis	XEASY	1.3.13	Wuthrich
3	structure solution	DYANA	1.5	Guentert
4	refinement	Amber	5.0	Kollman

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.