SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D NOESY 2MM HANATOXIN1 0 ? 3.4 1 300
2 DQF-COSY 2MM HANATOXIN1 0 ? 3.4 1 300
3 E-COSY 2MM HANATOXIN1 0 ? 3.4 1 300
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker DRX 600
NMR Refinement
Method Details Software
DYNAMICAL SIMULATED ANNEALING THE STRUCTURES ARE BASED ON A TOTAL OF 539 RESTRAINTS, 509 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 19 DIHEDRAL ANGLE RESTRAINTS,11 DISTANCE RESTRAINTS FROM HYDROGEN BONDS AND DISULFIDE BONDS. 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 21
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 structure solution 1.3 XwinNMR BRUKER
2 structure solution 3.3 ANSIG KRAULIS
3 refinement 3.851 X-PLOR BRUNGER
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