SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 ? ? 0
NMR Refinement
Method Details Software
molecular dynamics ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with acceptable covalent geometry
Conformers Calculated Total Number 321
Conformers Submitted Total Number 301
Representative Model 1 (closest to the average)
Computation: NMR Software
# Classification Version Software Name Author
1 geometry optimization ? GROMOS van Gunsteren and Berendsen
2 refinement ? GROMOS van Gunsteren and Berendsen
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