ISDA: 2N8E

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	2D 1H-1H TOCSY	1 mM protein, 90% H2O/10% D2O	?	90% H2O/10% D2O	3.5	ambient	298
2	2D 1H-1H NOESY	1 mM protein, 90% H2O/10% D2O	?	90% H2O/10% D2O	3.5	ambient	298
3	2D DQF-COSY	1 mM protein, 90% H2O/10% D2O	?	90% H2O/10% D2O	3.5	ambient	298
4	2D 1H-15N HSQC	1 mM protein, 90% H2O/10% D2O	?	90% H2O/10% D2O	3.5	ambient	298
5	2D 1H-13C HSQC	1 mM protein, 90% H2O/10% D2O	?	90% H2O/10% D2O	3.5	ambient	298

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600

NMR Refinement

Method	Details	Software
simulated annealing	?	1

NMR Ensemble Information

Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software

#	Classification	Version	Software Name	Author
1	refinement	?	CNS	Brunger, Adams, Clore, Gros, Nilges and Read
2	geometry optimization	?	TALOS	Cornilescu, Delaglio and Bax
3	structure solution	?	CYANA	Guntert, Mumenthaler and Wuthrich
4	collection	?	TopSpin	Bruker Biospin
5	data analysis	?	CCPN	CCPN