ISDA: 2L8L

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	3D HCCH-COSY	50 mM sodium phosphate, 100 mM sodium chloride, 1 mM sodium azide, 0.15-0.2 mM [U-98% 13C; U-98% 15N] protein, 90% H2O/10% D2O	150	90% H2O/10% D2O	7	ambient	298
2	3D HNCACB	50 mM sodium phosphate, 100 mM sodium chloride, 1 mM sodium azide, 0.15-0.2 mM [U-98% 13C; U-98% 15N] protein, 90% H2O/10% D2O	150	90% H2O/10% D2O	7	ambient	298
3	3D 1H-13C NOESY aliphatic	50 mM sodium phosphate, 100 mM sodium chloride, 1 mM sodium azide, 0.15-0.2 mM [U-98% 13C; U-98% 15N] protein, 90% H2O/10% D2O	150	90% H2O/10% D2O	7	ambient	298

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength

NMR Refinement

Method	Details	Software
simulated annealing	?	1

NMR Ensemble Information

Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software

#	Classification	Version	Software Name	Author
1	chemical shift assignment	?	Sparky	Goddard
2	structure solution	?	X-PLOR NIH	Schwieters, Kuszewski, Tjandra and Clore
3	refinement	?	X-PLOR NIH	?