Experiment: 1FAF

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-SEPARATED_NOESY- HSQC	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
2	100MS MIXING	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
3	3D_ 13C-SEPARATED_FSCT-HSMQC -NOESY	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
4	100MS MIXING	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
5	3D_13C-SEPARATED_NOESY- HMQC	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
6	100MS MIXING	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
7	3D_ 13C-SEPARATED_NOESY- CTHSQC	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
8	200MS MIXING	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
9	HNCA-J	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
10	HACAHB-COSY	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
11	HNHB	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00
12	H-D EXCHANGE DETECTED BY 15N HSQC	1.7 MM PYJ U-15N; 25 MM PHOSPHATE BUFFER, 100MM KCL		25mM_PHOSPHATE/100mM_KCL	6.00	1 atm	303.00

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500

NMR Refinement
Method	Details	Software
TORSION ANGLE DYNAMICS AND SIMULATED ANNEALING IN CARTESIAN SPACE		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	STRUCTURES WITH FAVORABLE NON-BOND ENERGY,STRUCTURES WITH THE LOWEST ENERGY
Conformers Calculated Total Number	100
Conformers Submitted Total Number	47
Representative Model	12 (n/a)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	XwinNMR	1.3
2	structure solution	SYBYL TRIAD	6.3
3	structure solution	CNS	1.0
4	refinement	CNS	1.0

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.