SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 JEOL ECA 600
NMR Refinement
Method Details Software
molecular dynamics ? 1
NMR Ensemble Information
Conformer Selection Criteria all calculated structures submitted
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (target function)
Computation: NMR Software
# Classification Version Software Name Author
1 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
2 data analysis ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3 peak picking ? Sparky Goddard
4 chemical shift assignment ? Sparky Goddard
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