SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D NOESY 3.4 mM KAMP-19, 90% H2O/10% D2O nd 90% H2O/10% D2O 5.4 1 298
2 2D DQF-COSY 3.4 mM KAMP-19, 90% H2O/10% D2O nd 90% H2O/10% D2O 5.4 1 298
3 2D 1H-1H TOCSY 3.4 mM KAMP-19, 90% H2O/10% D2O nd 90% H2O/10% D2O 5.4 1 298
4 2D 1H-15N HSQC 3.4 mM KAMP-19, 90% H2O/10% D2O nd 90% H2O/10% D2O 5.4 1 298
5 2D 1H-13C HSQC 3.4 mM KAMP-19, 90% H2O/10% D2O nd 90% H2O/10% D2O 5.4 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian INOVA 600
NMR Refinement
Method Details Software
simulated annealing High and low temperature 4
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 10
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 structure calculation 1 XPLOR-NIH G. Marius Clore (NIH)
2 chemical shift assignment ? PIPP Garrett
3 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
5 peak picking ? PIPP Garrett
4 refinement ? PIPP Garrett
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