Nomenclature and defined standards
- Amino Acid Atom nomenclature conversion table
- Amino Acid Pseudoatom nomenclature conversion table
- Nucleic Acid Pseudoatom nomenclature conversion table
- Atom nomenclature - proton nomenclature for amino acids and nucleic acids
- Amino acid browser - atom nomenclature, structure, properties, abbreviations, and for the 20 common L- amino acids
- Amino acid table references - helix/sheet propensities, pKa values, codons, abbreviations, hydrophobicity, and molecular weights in table formats
- Protein calculator - estimates pI, charge, UV absorbance, etc. From the Scripps Research Institute
Experimentally determined standards
BMRB/XML, BMRB/RDF, and BMRB/JSON
IUPAC recommendations
IUPAC Recommendations 1997:
Parameters and Symbols for use in Nuclear Magnetic Resonance
R. K. Harris, J. Kowalewski, and S. C. De Menezes
Pure & Appl. Chem. (1997), 69, 2489-2495, DOI: 10.1351/pac199769122489
IUPAC Recommendations 1998:
Recommendations for the Presentation of NMR Structures of Proteins and Nucleic Acids
J. L. Markley, A. Bax, Y. Arata, C. W. Hilbers, R. Daptein, B. D. Sykes, P. E Wright, and K. Wüthrich
Pure & Appl. Chem. (1998), 70, 117-142, DOI: 10.1351/pac199870010117 (PDF)
IUPAC Recommendations 2001:
NMR nomenclature. Nuclear spin properties and conventions for chemical shifts
R. K. Harris, E. D. Becker, S. M. Cabral de Menezes, R. Goodfellow, and P. Granger
Pure & Appl. Chem. (2001), 73, 1795-1818, DOI: 10.1351/pac200173111795
IUPAC Recommendations 2008:
Further Conventions for NMR Shielding and Chemical Shifts
R. K. Harris, E. D. Becker, S. M. Cabral de Menezes, P. Granger, R. E. Hoffman, and K. W. Zilm
Pure & Appl. Chem. (2008), 80, No. 1, 59-84, DOI: 10.1351/pac200880010059 (PDF)
Publications describing the STAR format
The STAR File: A New Format for Electronic Data Transfer and Archiving
Hall, S. R.
J. Chem. Inf. Comput. Sci. (1991), 31, 326-333
The STAR File: Detailed Specifications
Hall, S. R. and Spadaccini, N.
J. Chem. Inf. Comput. Sci. (1994), 34, 505-508, 1994
STAR Dictionary Definition Language: Initial Specification
Hall, S. R. and Cook, A. P. F.
J. Chem. Inf. Comput. Sci. (1995), 35, 819-825
The Molecular Information File (MIF): Core Specifications of a New Standard Format for Chemical Data
Allen, F. H., Barnard, J. M., Cook, A. P. F., and Hall, S. R.
J. Chem. Inf. Comput. Sci. (1995), 35, 412-427
Extensions to the STAR File Syntax
Spadaccini, N. and Hall, S. R.
J. Chem. Inf. Model. (2012), 52 (8), 1901-1906, DOI: 10.1021/ci300074v
Publication describing semantic extension of the NMR-STAR data
Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins
Yokochi, M., Kobayashi, N., Ulrich, E. L., Kinjo, A. R., Iwata, T., Ioannidis, Y. E., Linvy, M., Markley, J.L., Nakamura, H., Kojima, C. and Fujiwara, T.
J. Biomed. Semantics (2016), 7, 1-4
