Experiment: 1YT6

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	5mM peptide SD; 50mM phosphate buffer; 90% H2O, 10% D2O	90% H2O/10% D2O	NA	5.0	ambient	298
2	2D TOCSY	5mM peptide SD; 50mM phosphate buffer; 90% H2O, 10% D2O	90% H2O/10% D2O	NA	5.0	ambient	298
3	DQF-COSY	5mM peptide SD; 50mM phosphate buffer; 90% H2O, 10% D2O	90% H2O/10% D2O	NA	5.0	ambient	298
4	2D ROESY	5mM peptide SD; 50mM phosphate buffer; 90% H2O, 10% D2O	90% H2O/10% D2O	NA	5.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	all calculated structures submitted
Conformers Calculated Total Number	50
Conformers Submitted Total Number	50
Representative Model	36 (lowest energy)

Additional NMR Experimental Information
Details	This structure was determined using standard 2D homonuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker
2	processing	XwinNMR	2.6	Bruker
3	data analysis	Sparky	3	Goddard and Kneller
4	refinement	CNS	1.0	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 R01GM157729.