1AEL | pdb_00001ael

NMR STRUCTURE OF APO INTESTINAL FATTY ACID-BINDING PROTEIN, 20 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2-D 1H-HOMONUCLEAR NOESY				7.2		306

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITY	500

NMR Refinement
Method	Details	Software
SIMULATED ANNEALING REFINEMENT		Tinker

NMR Ensemble Information
Conformer Selection Criteria	FINAL PENALTY FUNCTION VALUES LESS THAN 10.0
Conformers Calculated Total Number	21
Conformers Submitted Total Number	20

Additional NMR Experimental Information
Details	LIMITS ON SECONDARY STRUCTURE ELEMENTS WERE DEFINED BY THE PROTON-CARBON CONSENSUS CHEMICAL SHIFT INDEX.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Tinker		PONDER
2	structure solution	Tinker

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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 R01GM157729.