1HOD

NMR STRUCTURE OF D130I MUTANT T3-I2, A 32 RESIDUE PEPTIDE FROM THE ALPHA 2A ADRENERGIC RECEPTOR

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.9 mM PEPTIDE NATURAL ABUNDANCE; 460 mM D38- DODECYLPHOSPHOCHOLINE, 50 mM NACL, 10 mM NAH2PO4, PH 4.5	90% H2O/10% D2O	50 mM NACL	4.50		303.00
2	2D TOCSY	0.9 mM PEPTIDE NATURAL ABUNDANCE; 460 mM D38- DODECYLPHOSPHOCHOLINE, 50 mM NACL, 10 mM NAH2PO4, PH 4.5	90% H2O/10% D2O	50 mM NACL	4.50		303.00
3	2D COSY	0.9 mM PEPTIDE NATURAL ABUNDANCE; 460 mM D38- DODECYLPHOSPHOCHOLINE, 50 mM NACL, 10 mM NAH2PO4, PH 4.5	90% H2O/10% D2O	50 mM NACL	4.50		303.00

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	800

NMR Refinement
Method	Details	Software
SIMULATED ANNEALING IN TORSION ANGLE SPACE		DYANA

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number	1
Representative Model	1 (average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	DYANA		Guntert
2	data analysis	XEASY		Bartels
3	processing	NMRPipe		Delaglio
4	processing	NMRView		Johnson
5	data analysis	SPSCAN		Glaser
6	refinement	DYANA		Guntert

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.