SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 HOMO 90/10 H2O/D2O 0.01M 7.4 1 298
2 HETERONUCLEAR NMR 2D 90/10 H2O/D2O 0.01M 7.4 1 298
3 3D 90/10 H2O/D2O 0.01M 7.4 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
DG, SIMULATED ANNEALING REFINEMENT DETAILS IN PRIMARY REFERENCE 1
NMR Ensemble Information
Conformer Selection Criteria LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model ()
Computation: NMR Software
# Classification Version Software Name Author
1 refinement 3.85 X-PLOR BRUNGER
2 structure solution 3.85 X-PLOR ?
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