SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 1.125 mM QARRN peptide, 90% H2O/10% D2O 10 90% H2O/10% D2O 6.0 1 277.15
2 2D 1H-1H TOCSY 1.125 mM QARRN peptide, 90% H2O/10% D2O 10 90% H2O/10% D2O 6.0 1 277.15
3 2D 1H-13C HSQC 1.125 mM QARRN peptide, 90% H2O/10% D2O 10 90% H2O/10% D2O 6.0 1 277.15
4 2D 1H-1H NOESY 1.125 mM QARRN peptide, 90% H2O/10% D2O 10 90% H2O/10% D2O 6.0 1 277.15
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE NEO 1200
NMR Refinement
Method Details Software
torsion angle dynamics ? 2
NMR Ensemble Information
Conformer Selection Criteria all calculated structures submitted
Conformers Calculated Total Number 20
Conformers Submitted Total Number 20
Representative Model 1 (target function)
Computation: NMR Software
# Classification Version Software Name Author
2 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
3 chemical shift assignment ? Poky Manthey, Tonelli, Clos II, Rahimi, Markley and Lee
4 peak picking ? Poky Manthey, Tonelli, Clos II, Rahimi, Markley and Lee
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