Experiment: 2N28

SOLID-STATE NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D_13C/13C_PDSD	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
2	2D_13C/15N_HETCOR	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
3	2D_13C/13C_TOBSY	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
4	2D_13C-1H_DC/13C_SLF	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
5	2D_15N-1H_DC/13C_SLF	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
6	3D_15N/13CA/13C	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
7	3D_15N/13C'/13C	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
8	3D_1H-15N_DC/15N/13CA_SLF	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298
9	3D_1H-13C_DC/15N/13CA_SLF	8.5 mM [U-100% 13C; U-100% 15N] HIV-1 Virus protein U, 100% H2O	100%H2O	20	7.3	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700

NMR Refinement
Method	Details	Software
simulated annealing	THE ANI COORDINATES HAVE BEEN INCLUDED IN THE RESTRAINT FILE. THE ANI Z AXIS SPECIFIES THE DIRECTION OF THE NORMAL TO THE PLANE OF THE LIPID BILAYER MEMBRANE.	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	1
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger, A.T. et.al.

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 R01GM133198.