SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-1H NOESY 1 mM AV20, 0.1 mM SDS, 90% H2O/10% D2O 20 90% H2O/10% D2O 5.2 1 298
2 2D 1H-1H TOCSY 1 mM AV20, 0.1 mM SDS, 90% H2O/10% D2O 20 90% H2O/10% D2O 5.2 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE 700
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement 2.1 CYANA Guntert, Mumenthaler and Wuthrich
2 structure calculation 2.1 CYANA Guntert, Mumenthaler and Wuthrich
3 chemical shift assignment 3.114 Sparky Goddard
4 processing ? TopSpin Bruker Biospin
5 collection 3.7 TopSpin Bruker Biospin
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