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NMR processing:
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Ab initio:
GeNMR
Cyana
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Fragment-based:
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Refinement:
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Structure from chemical shifts:
Fragment-based:
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Torsion angles from chemical shifts:
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Secondary structure from chemical shifts:
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Flexibility from chemical shifts:
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Molecular dynamics:
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Chemical shifts prediction:
From structure:
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From sequence:
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Disordered proteins:
MAXOCC
Format conversion & validation:
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From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
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Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
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Default Solid state NMR of salivary calculi: Proline-rich salivary proteins, citrate, polysaccharides, lipids, and organic–mineral interactions

Solid state NMR of salivary calculi: Proline-rich salivary proteins, citrate, polysaccharides, lipids, and organic–mineral interactions

Publication date: Available online 3 January 2016
Source:Comptes Rendus Chimie

Author(s): Yang Li, David G. Reid, Dominique Bazin, Michel Daudon, Melinda J. Duer

Solid state NMR (ssNMR) can characterize mineral (31P) and organic (13C) components of human salivary stones (n*=*8). All show apatitic 31P spectra. 13C ssNMR indicates more protein, of more consistent composition, than apatitic uroliths, with prominent signals from Tyr, Phe, and His. Citrate and lipids, identified by dipolar dephasing (DD), and polysaccharides are also observable in varying amounts. 13C{31P} rotational echo double resonance (13C{31P} REDOR) identifies carbon atoms in close (






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