SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 NOESY ? 4.6 ? 298
2 COSY ? 4.6 ? 298
3 TOCSY ? 4.6 ? 298
4 HSQC-NOESY ? 4.6 ? 298
5 HSQC-TOCSY ? 4.6 ? 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
DISTANCE GEOMETRY/ SIMULATED ANNEALING REFINEMENT DETAILS CAN BE FOUND IN THE JRNL REFERENCE. 1
NMR Ensemble Information
Conformer Selection Criteria NO DISTANCE VIOLATION > 0.5A, NO DIHEDRAL VIOLATION > 5 DEGREES
Conformers Calculated Total Number 50
Conformers Submitted Total Number 32
Representative Model ()
Computation: NMR Software
# Classification Version Software Name Author
1 refinement ? X-PLOR BRUNGER
2 structure solution ? X-PLOR ?
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