SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian INOVA 500
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria all calculated structures submitted, back calculated data agree with experimental NOESY spectrum
Conformers Calculated Total Number 20
Conformers Submitted Total Number 20
Representative Model 1 (closest to the average)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 6b VNMR varian, inc.
2 data analysis 98.0 Felix accelrys
3 iterative matrix relaxation 1 MARDIGRAS James, T.L.
4 structure solution 2.98 Discover accelrys
5 refinement 2.98 Discover accelrys
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