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 UNITY 500
NMR Refinement
Method Details Software
DISTANCE GEOMETRY/ CONSTRAINED MOLECULAR DYNAMICS/SIMULATED ANNEALING ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model ()
Computation: NMR Software
# Classification Version Software Name Author
1 refinement ? Tinker PONDER
2 structure calculation ? Tinker PONDER
3 structure calculation ? SYBYL Tripos
4 structure calculation ? MOLMOL Koradi, Billeter and Wuthrich
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