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Structure and dynamics of a DNA GNRA hairpin solved vy high-sensitivity NMR with two independent converging methods, simulated annealing (DYANA) and mesoscopic molecular modelling (BCE/AMBER)

Spectrometer
Experimental method: SOLUTION NMR
Spectrometer IDSpectrometer makerSpectrometer modelSpectrometer typeSpectrometer field strength
1VarianINOVAVarian INOVA750
2VarianUNITYVarian Unity400
Experiment
experiment idconditions idsolution idExperiment type
1112D DQF-COSY
2112D 1H-13C HSQC
3112D 1H-31P COSY
4112D 1H-1H NOESY
5222D 1H-1H NOESY
NMR Sample
conditions idNMR sample pHNMR sample pressureNMR sample temperature
16.8ambient298
26.8ambient274
Conformers
Conformers Calculated Total Number101
Conformers Submitted Total Number21

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