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THREE-DIMENSIONAL STRUCTURES OF THREE ENGINEERED CELLULOSE-BINDING DOMAINS OF CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI, NMR, 18 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	TOCSY				3.9		288
2	COSY				3.9		288
3	NOESY				3.9		288
4	RELAY-COSY				3.9		288

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	VARIAN UNITY 600	600

NMR Refinement
Method	Details	Software
distance geometry		SA/MD

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number	40
Conformers Submitted Total Number	18

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	SA/MD		CLORE,NILGES
2	structure solution	BIOSYM TECHNOLOGIES	TECHNOLOGIES
3	structure solution	Felix
4	structure solution	Insight II

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.