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aacording to iCING analysis [81]
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2015-12-02
相关数据集
Restraints and Statistics for the Ensemble of 20 Structures.
aAs reported by XPLOR-NIH 2.33 using the standard protein force field.bAs reported by PROCHECK and selected by PSVS 1.4 for residues 17–51, 62–69, 72–114, 116–145.
Figshare2015-12-02 更新20
Experimental and structural statistics for the ensembles of 20 structures of SNF RRM1 and RRM2.
aThe average RMSD between the 20 structures of the lowest AMBER energies and the mean coordinates (±standard deviation). bCalculated with PROCHECK_NMR [61]. cResidues 1–83 in SNF RRM1 were used in the
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The Potential Utility of Predicted One Bond Carbon-Proton Coupling Constants in the Structure Elucidation of Small Organic Molecules by NMR Spectroscopy
NMR spectroscopy is the most popular technique used for structure elucidation of small organic molecules in solution, but incorrect structures are regularly reported. One-bond proton-carbon J-coupling
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Structural statistics.
A 2412NOE cross peaks out of 2727 were assigned by CYANA. All numbers are given for the symmetric dimer. B RMSD of the backbone coordinates to the mean structure. C Analyzed by iCING. No distance/dihe
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Rna-Nmr-Decoys
Atomistic decoy sets for RNAs in PDB that were solved using NMR, and for which NMR chemical shift data is available. Decoy sets consist of: - structures in the corresponding NMR bundle - st
Zenodo2020-09-18 更新00
