SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
22D 1H-13C HSQC0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
32D 1H-13C HSQC aromatic0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
43D HNCA0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
53D HNCACB0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
63D CBCA(CO)NH0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
73D C(CO)NH0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
83D HNCO0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
93D HCCH-TOCSY0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
103D 1H-15N NOESY0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
113D 1H-13C NOESY aliphatic0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
123D 1H-13C NOESY aromatic0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
133D HN(CA)CO0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_290% H2O/10% D2O2006.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
2BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsTopSpin
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpinBruker Biospin
2processingTopSpinBruker Biospin
3chemical shift assignmentCARAKeller and Wuthrich
4peak pickingCARAKeller and Wuthrich
5structure solutionCYANAGuntert, Mumenthaler and Wuthrich
6refinementCYANA