SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 COSY ? 4.5 1 310
2 TOCSY ? 4.5 1 310
3 NOESY ? 4.5 1 310
4 NOESY-HSQC ? 4.5 1 310
5 TOCSY-HSQC ? 4.5 1 310
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
simulated annealing REFINEMENT DETAILS CAN BE FOUND IN THE JOURNAL CITATION ABOVE 1
NMR Ensemble Information
Conformer Selection Criteria LOW ENERGY AND AGREEMENT WITH EXPERIMENTAL RESTRAINTS
Conformers Calculated Total Number 100
Conformers Submitted Total Number 55
Representative Model ()
Computation: NMR Software
# Classification Version Software Name Author
1 refinement 3.851 X-PLOR BRUNGER
2 structure solution 3.851 X-PLOR ?
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