Experiment: 2XKS

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	CBCACONH	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
2	CCONH	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
3	HCCONH	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
4	HNCA	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
5	HNCO	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
6	HNCOCA	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
7	N15_HSQC	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
8	C_TOCSY	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
9	HNCACB	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
10	H_COSY	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
11	H_TOCSY	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
12	N15_ NOESY	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
13	C13_ARO_HSQC	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
14	C13_HSQC	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
15	HBCBCGCDHD	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
16	C13_ARO_NOESY	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
17	C13_ NOESY	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	750
3	Varian	INOVA	600

NMR Refinement
Method	Details	Software
NONE	THE CCPN NMR ASSIGNMENT AND DATA ANALYSIS APPLICATION.	CcpNmr Analysis

NMR Ensemble Information
Conformer Selection Criteria	LOWEST ENERGY
Conformers Calculated Total Number	30
Conformers Submitted Total Number	30

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED BETA-2-MICROGLOBULIN

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CcpNmr Analysis	1.0	CCPN
2	structure solution	PASD ALGORITHM	1.0
3	structure solution	NMRView	5.22
4	structure solution	NMRPipe	2.5
5	structure solution	ARIA	2.1
6	structure solution	CcpNmr Analysis	2.1
7	structure solution	Xplor-NIH	2.17
8	structure solution	VNMR	6.1C

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.