Type: Bruker Avance / Manufacturer: Bruker / Model: Avance / Field strength: 600 MHz
-
Processing
NMR software
Name
Developer
Classification
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
refinement
CYANA
Guntert, MumenthalerandWuthrich
structuresolution
Molmol
Koradi, BilleterandWuthrich
visualisation
TOPSPIN
BrukerBiospin
collection
TOPSPIN
BrukerBiospin
processing
XEASY
Bartelsetal.
chemicalshiftassignment
XEASY
Bartelsetal.
peakpicking
TALOS
Cornilescu, DelaglioandBax
dataanalysis
Refinement
Method: simulated annealing / Software ordinal: 1
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20 / Representative conformer: 1
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