SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_15N-separated_NOESY 1mM FixJC U-15N,13C; 20mM NaHPO4-NaH2PO4 (pH 5.5), 100mM NaCl, 50mM Na2SO4; 90% H2O, 10% D2O ? 90% H2O/10% D2O 5.5 1 298
2 3D_13C-separated_NOESY 1mM FixJC U-15N,13C; 20mM NaHPO4-NaH2PO4 (pH 5.5), 100mM NaCl, 50mM Na2SO4; 90% H2O, 10% D2O ? 90% H2O/10% D2O 5.5 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker DRX 600
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 80
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 2.6 XwinNMR ?
2 processing 2.7 Azara Boucher, W.
3 data analysis 3.3 ANSIG Kraulis, P.
4 structure solution 1.0 CNS ?
5 refinement 1.0 CNS ?
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