ISDA: 1OZS

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	3D_13C-separated_NOESY	13C/15N-cCTnC in complex with 13C/15N-cIp	0.1	100 mM KCl, 10 mM Imidazole, 20mM CaCl2, 1mM DSS, pH 6.7	6.7	1	303
2	HNHA	13C/15N-cCTnC in complex with 13C/15N-cIp	0.1	100 mM KCl, 10 mM Imidazole, 20mM CaCl2, 1mM DSS, pH 6.7	6.7	1	303
3	3D_15N-separated_NOESY	13C/15N-cCTnC in complex with 13C/15N-cIp	0.1	100 mM KCl, 10 mM Imidazole, 20mM CaCl2, 1mM DSS, pH 6.7	6.7	1	303
4	3D_13C-TOCSY	13C/15N-cCTnC in complex with 13C/15N-cIp	0.1	100 mM KCl, 10 mM Imidazole, 20mM CaCl2, 1mM DSS, pH 6.7	6.7	1	303
5	3D_15N-TOCSY	13C/15N-cCTnC in complex with 13C/15N-cIp	0.1	100 mM KCl, 10 mM Imidazole, 20mM CaCl2, 1mM DSS, pH 6.7	6.7	1	303

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength

NMR Refinement

Method	Details	Software
100 structures calculated using CNS simulated annealing protocol starting from extended structures	?	1

NMR Ensemble Information

Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	30
Representative Model	()

Computation: NMR Software

#	Classification	Version	Software Name	Author
1	collection	6.1b	VNMR	varian inc.
2	structure solution	1.1	CNS	Brunger
3	processing	1	NMRPipe	Delaglio
4	refinement	1.1	CNS	Brunger