SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
2 3D CBCA(CO)NH 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
3 3D HNCACB 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
4 C(CO)NH TOCSY 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
5 H(CCO)NH-TOCSY 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
15 2D 1H-13C HSQC aliphatic 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
7 3D 1H-13C NOESY aliphatic 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
10 3D 1H-15N NOESY 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
9 TRACT 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
8 2D 1H-13C HSQC aromatic 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
6 3D 1H-13C NOESY aromatic 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
13 2D CBHD 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
12 2D CBHDHE 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
11 3D HNCO 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
16 HN(CA)CO 20 mM sodium phosphate, 100 mM sodium chloride, 5 mM DTT, 0.15 mM DSS, 95% H2O/5% D2O 100 95% H2O/5% D2O 6.0 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
distance geometry ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 400
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement ? Poky Manthey, Tonelli, Clos II, Rahimi, Markley and Lee
2 structure calculation ? X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
3 chemical shift assignment ? Poky Manthey, Tonelli, Clos II, Rahimi, Markley and Lee
4 peak picking ? Poky Manthey, Tonelli, Clos II, Rahimi, Markley and Lee
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