SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker DRX 500
NMR Refinement
Method Details Software
ARIA THE NMR ENSEMBLE HAS BEEN REFINED IN A SHELL OF WATER MOLECULES. REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE AND LINGE ET AL. 1
NMR Ensemble Information
Conformer Selection Criteria LOWEST ENERGY
Conformers Calculated Total Number 100
Conformers Submitted Total Number 10
Representative Model 1 (?)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement 1.2 CNS 1.1, ARIA BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN
2 structure solution ? NMRView ?
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