SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1NOESY90% WATER/10% D2O, 50MM NAPHOS50 mM7.01.0 atm298.0
2HNHA90% WATER/10% D2O, 50MM NAPHOS50 mM7.01.0 atm298.0
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX800
NMR Refinement
MethodDetailsSoftware
WATER REFINEMENTCNS
NMR Ensemble Information
Conformer Selection CriteriaBEST WATER REFINED STRUCTURE
Conformers Calculated Total Number100
Conformers Submitted Total Number1
Additional NMR Experimental Information
DetailsNONE
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCNS1.2BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ, RICE,SIMONSON,WARREN
2structure solutionFelix
3structure solutionCNS