Experiment: 2WBR

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	CBCACONH	10% WATER/90% D2O			7.0	1.0 atm	298.0
2	CCCONH	10% WATER/90% D2O			7.0	1.0 atm	298.0
3	CCHCOSY	10% WATER/90% D2O			7.0	1.0 atm	298.0
4	CCHNOESY	10% WATER/90% D2O			7.0	1.0 atm	298.0
5	CCHTOCSY	10% WATER/90% D2O			7.0	1.0 atm	298.0
6	CHSQC	10% WATER/90% D2O			7.0	1.0 atm	298.0
7	CNHNOESY	10% WATER/90% D2O			7.0	1.0 atm	298.0
8	HBHACONH	10% WATER/90% D2O			7.0	1.0 atm	298.0
9	HCHNOESY	10% WATER/90% D2O			7.0	1.0 atm	298.0
10	HNCA	10% WATER/90% D2O			7.0	1.0 atm	298.0
11	HNCACO	10% WATER/90% D2O			7.0	1.0 atm	298.0
12	HNCACB	10% WATER/90% D2O			7.0	1.0 atm	298.0
13	HNCO	10% WATER/90% D2O			7.0	1.0 atm	298.0
14	HNHA	10% WATER/90% D2O			7.0	1.0 atm	298.0
15	HNHB	10% WATER/90% D2O			7.0	1.0 atm	298.0
16	HNHNOESY	10% WATER/90% D2O			7.0	1.0 atm	298.0
17	NHSQC	10% WATER/90% D2O			7.0	1.0 atm	298.0
18	NNHNOESY	10% WATER/90% D2O			7.0	1.0 atm	298.0
19	NOESYNON	10% WATER/90% D2O			7.0	1.0 atm	298.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
XPLOR		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	LOWEST RESTRAINT VIOLATIONS
Conformers Calculated Total Number	50
Conformers Submitted Total Number	24
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	NONE

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	2.9.4A	BRUNGER
2	structure solution	Sparky

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.