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 16 (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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