SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D TOCSY 0.69 mM No labelling trpzip2PAK, 90% H2O/10% D2O 28.68 90% H2O/10% D2O 6.1 1 308
2 2D NOESY 0.69 mM No labelling trpzip2PAK, 90% H2O/10% D2O 28.68 90% H2O/10% D2O 6.1 1 308
3 2D 13C HSQC 0.69 mM No labelling trpzip2PAK, 90% H2O/10% D2O 28.68 90% H2O/10% D2O 6.1 1 308
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE NEO 900
NMR Refinement
Method Details Software
torsion angle dynamics ? 4
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (target function)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2 chemical shift assignment ? NMRFAM-SPARKY Goddard-Markley
3 peak picking ? NMRFAM-SPARKY Goddard-Markley
4 structure calculation ? CYANA Guntert
5 refinement ? CYANA Guntert
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