Experiment: 7T6G

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	0.5 mM AIP2-20	90% H2O/10% D2O	0	4	AMBIENT atm	290	Bruker AVANCE 600
2	2D 1H-1H COSY	0.5 mM AIP2-20	90% H2O/10% D2O	0	4	AMBIENT atm	290	Bruker AVANCE 600
3	2D 1H-1H TOCSY	0.5 mM AIP2-20	90% H2O/10% D2O	0	4	AMBIENT atm	290	Bruker AVANCE 600
4	2D 1H-13C HSQC	0.5 mM AIP2-20	90% H2O/10% D2O	0	4	AMBIENT atm	290	Bruker AVANCE 600
5	2D 1H-15N HSQC	0.5 mM AIP2-20	90% H2O/10% D2O	0	4	AMBIENT atm	290	Bruker AVANCE 600

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

NMR Refinement
Method	Details	Software
torsion angle dynamics		TopSpin

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	50
Conformers Submitted Total Number	15
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin		Bruker Biospin
2	chemical shift assignment	CcpNmr Analysis	3.98.13	CCPN
3	structure calculation	CYANA		Guntert, Mumenthaler and Wuthrich

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.