SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D NOESY trans-anti-BPh (carcinogen) covalently bound to 11mer DNA duplex 0.10 aqueous solution with 100 mM NaCl 6.5 1 277
2 P-COSY trans-anti-BPh (carcinogen) covalently bound to 11mer DNA duplex 0.10 aqueous solution with 100 mM NaCl 6.5 1 277
3 1H-31P HSQC trans-anti-BPh (carcinogen) covalently bound to 11mer DNA duplex 0.10 aqueous solution with 100 mM NaCl 6.5 1 277
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
torsion angle dynamics, simulated annealing, relaxation matrix refinements, energe minimization ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 9
Conformers Submitted Total Number 7
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement 3.1 X-PLOR Brunger, A. T.
2 collection 6.1 VNMR Varian Associates Inc.
3 data analysis felix2000 Felix MSI
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