ISDA: 2FCG

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	2D NOESY	2 mM peptide and 80 mM SDS	80	10% D2O/90%H2O	5.4	1	298
2	2D TOCSY	2 mM peptide and 80 mM SDS	80	10% D2O/90%H2O	5.4	1	298
3	DQF-COSY	2 mM peptide and 80 mM SDS	80	10% D2O/90%H2O	5.4	1	298
4	(H1,H13) HSQC	2 mM peptide and 80 mM SDS	80	10% D2O/90%H2O	5.4	1	298
5	(H1,N15) HSQC	2 mM peptide and 80 mM SDS	80	10% D2O/90%H2O	5.4	1	298

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600

NMR Refinement

Method	Details	Software
simulated annealing	?	1

NMR Ensemble Information

Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software

#	Classification	Version	Software Name	Author
1	structure solution	1.0	Xplor-NIH	CD Schwieters, J Kuszewski, N Tjandra, GM Clore
2	data analysis	1.0	PIPP	Dan Garrett
3	processing	2.1	NMRPipe	Frank Delaglio
4	refinement	1999	TALOS	Cornilescu, Frank Delaglio, Ad Bax