SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-1H NOESY 1.4 mM RET G4-DNA, 1.68 mM BERBERINE, 20 mM Potassium Phosphate Monobasic, 80 mM potassium chloride, 90% H2O/10% D2O 100 90% H2O/10% D2O 6.8 1 293
2 2D 1H-1H TOCSY 1.4 mM RET G4-DNA, 1.68 mM BERBERINE, 20 mM Potassium Phosphate Monobasic, 80 mM potassium chloride, 90% H2O/10% D2O 100 90% H2O/10% D2O 6.8 1 293
3 2D 1H-1H COSY 1.4 mM RET G4-DNA, 1.68 mM BERBERINE, 20 mM Potassium Phosphate Monobasic, 80 mM potassium chloride, 90% H2O/10% D2O 100 90% H2O/10% D2O 6.8 1 293
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Agilent INOVA 600
NMR Refinement
Method Details Software
simulated annealing ? 3
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (closest to the average)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? NMRDraw Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2 chemical shift assignment ? Sparky Goddard
3 structure calculation ? X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
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