SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-1H TOCSY 1.8 mg/mL peptide, 2 % [U-2H] acetic acid, 90% H2O/10% D2O ? 90% H2O/10% D2O 3.5 ambient 283
2 2D 1H-1H NOESY 1.8 mg/mL peptide, 2 % [U-2H] acetic acid, 90% H2O/10% D2O ? 90% H2O/10% D2O 3.5 ambient 283
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian INOVA 600
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 500
Conformers Submitted Total Number 1
Representative Model 1 (minimized average structure)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2 chemical shift assignment ? NMRView Johnson, One Moon Scientific
3 structure solution ? CYANA Guntert, Mumenthaler and Wuthrich
4 refinement ? CYANA Guntert, Mumenthaler and Wuthrich
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