SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D (1H ? 6.0 1 300
2 1H) NOESY ? 6.0 1 300
3 2D (1H ? 6.0 1 300
4 1H) TOCSY ? 6.0 1 300
5 2D (1H ? 6.0 1 300
6 1H) DQF-COSY ? 6.0 1 300
7 2D 15N-HSQC ? 6.0 1 300
8 3D 15N NOESY-HSQC ? 6.0 1 300
9 3D 15N TOCSY-HSQC ? 6.0 1 300
10 3D 15N-HSQC-NOESY-HSQC ? 6.0 1 300
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
simulated annealing AS DESCRIBED IN CITATION 1
NMR Ensemble Information
Conformer Selection Criteria LOW NOE ENERGY
Conformers Calculated Total Number 50
Conformers Submitted Total Number 45
Representative Model 1 (?)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement ? CNS BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN
2 structure solution ? CNS ?
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