ISDA: 2CNJ

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	HSQC	5% D2O/ 95% H2O	?		5.5	1.0	298.0
2	TOCSY	5% D2O/ 95% H2O	?		5.5	1.0	298.0
3	NOESY	5% D2O/ 95% H2O	?		5.5	1.0	298.0
4	HNCA	5% D2O/ 95% H2O	?		5.5	1.0	298.0
5	HNCACB	5% D2O/ 95% H2O	?		5.5	1.0	298.0
6	CBCACONH	5% D2O/ 95% H2O	?		5.5	1.0	298.0
7	HCCH- TCOSY	5% D2O/ 95% H2O	?		5.5	1.0	298.0
8	HNHA	5% D2O/ 95% H2O	?		5.5	1.0	298.0
9	HNBA	5% D2O/ 95% H2O	?		5.5	1.0	298.0
10	HNCO	5% D2O/ 95% H2O	?		5.5	1.0	298.0
11	HNCACO	5% D2O/ 95% H2O	?		5.5	1.0	298.0
12	HNCOCA	5% D2O/ 95% H2O	?		5.5	1.0	298.0

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600

NMR Refinement

Method	Details	Software
WATER REFINED IN CNS	WATER REFINED USING RECORRD SCIPTS IN CNS. A.J.NEDERVEEN,J.F.DORELEIJERS,W.VRANKEN, Z.MILLER, C.A.SPRONK, S.B.NABUURS, P.GUNTERT, M.LIVNY, J.L.MARKLEY, M.NILGES, E.L.ULRICH, R.KAPTEIN AND A.M.BONVIN, PROTEINS. RECOORD: A RECALCULATED COORDINATES DATABASE OF 500+ PROTEINS FROM THE PDB USING RESTRAINTS FROM THE BIOMAGRESBANK. PROTEINS 59, 662-672.	1

NMR Ensemble Information

Conformer Selection Criteria	LOWEST ENERGY, LEAST VIOLATION
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	()

Computation: NMR Software

#	Classification	Version	Software Name	Author
1	refinement	?	CNS	BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN
2	structure solution	?	Sparky	?
3	structure solution	?	NMRDraw	?
4	structure solution	?	NMRPipe	?
5	structure solution	?	CNS	?