ISDA: 2N7D

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	2D 1H-15N HSQC	25 mM sodium phosphate, 100 mM sodium chloride, 95% H2O/5% D2O	0.1	95% H2O/5% D2O	6.5	ambient	298
2	3D HNCACB	25 mM sodium phosphate, 100 mM sodium chloride, 95% H2O/5% D2O	0.1	95% H2O/5% D2O	6.5	ambient	298
3	3D CBCA(CO)NH	25 mM sodium phosphate, 100 mM sodium chloride, 95% H2O/5% D2O	0.1	95% H2O/5% D2O	6.5	ambient	298
4	3D HCCH-TOCSY	25 mM sodium phosphate, 100 mM sodium chloride, 95% H2O/5% D2O	0.1	95% H2O/5% D2O	6.5	ambient	298
5	3D 1H-13C NOESY	25 mM sodium phosphate, 100 mM sodium chloride, 95% H2O/5% D2O	0.1	95% H2O/5% D2O	6.5	ambient	298
6	3D 1H-15N NOESY	25 mM sodium phosphate, 100 mM sodium chloride, 95% H2O/5% D2O	0.1	95% H2O/5% D2O	6.5	ambient	298
7	3D HNCO	25 mM sodium phosphate, 100 mM sodium chloride, 95% H2O/5% D2O	0.1	95% H2O/5% D2O	6.5	ambient	298

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength

NMR Refinement

Method	Details	Software
torsion angle dynamics, molecular dynamics	?	1

NMR Ensemble Information

Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	40
Representative Model	1 (lowest energy)

Computation: NMR Software

#	Classification	Version	Software Name	Author
1	refinement	?	YASARA	YASARA
2	refinement	?	CYANA	Guntert, Mumenthaler and Wuthrich