SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D DQF-COSY 10.0 MG/ML, DMSO-d6 ? ? 3.7 AMBIENT ATM 295
2 2D 1H-1H TOCSY 10.0 MG/ML, DMSO-d6 ?
3 2D 1H-1H NOESY 10.0 MG/ML, DMSO-d6 ?
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker DRX 500
NMR Refinement
Method Details Software
DGSA-distance geometry simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 50
Conformers Submitted Total Number 1
Representative Model 1 (?)
Computation: NMR Software
# Classification Version Software Name Author
1 structure solution ? TopSpin ?
2 structure solution II Insight II ?
3 refinement II Insight II ?
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