########################################## # # # This file is under constructions!! # # Your help and suggestions are welcome. # # # ########################################## data_NMR-STAR_tag_enumerations _Revision_date 2000-05-28 save__Atom_group loop_ _item_enumeration_value _item_enumeration_description 'methyl carbon' . 'methyl carbons' . 'methyl protons' . 'methylene protons' . nitrogen ; There is only one nitrogen nucleus or all nitrogen nuclei are magnetically equivalent ; protons ; There is only one proton nucleus or all proton nuclei are magnetically equivalent ; # find more values from existing database stop_ save_ save__Atom_type loop_ _item_enumeration_value _item_enumeration_description Ac Actinium Al Aluminum Am Americium Sb Antimony Ar Argon As Arsenic At Astatine Ba Barium Bk Berkelium Be Beryllium Bi Bismuth B Boron Br Bromine Cd Cadmium Ca Calcium Cf Californium C Carbon Ce Cerium Cs Cesium Cl Chlorine Cr Chromium Co Cobalt Cu Copper Cm Curium Dy Dysprosium Es Einsteinium Er Erbium Eu Europium Fm Fermium F Fluorine Fr Francium Gd Gadolinium Ga Gallium Ge Germanium Au Gold Hf Hafnium He Helium Ho Holmium H Hydrogen In Indium I Iodine Ir Iridium Fe Iron Kr Krypton La Lanthanum Lr Lawrencium Pb Lead Li Lithium Lu Lutetium Mg Magnesium Mn Manganese Md Mendelevium Hg Mercury Mo Molybdenum Nd Neodymium Ne Neon Np Neptunium Ni Nickel Nb Niobium N Nitrogen No Nobelium Os Osmium O Oxygen Pd Palladium P Phosphorus Pt Platinum Pu Plutonium Po Polonium K Potassium Pr Praseodymium Pm Promethium Pa Protactinium Ra Radium Rn Radon Re Rhenium Rh Rhodium Rb Rubidium Ru Ruthenium Sm Samarium Sc Scandium Se Selenium Si Silicon Ag Silver Na Sodium Sr Strontium S Sulfur Ta Tantalum Tc Technetium Te Tellurium Tb Terbium Tl Thallium Th Thorium Tm Thulium Sn Tin Ti Titanium W Tungsten Unq Unnilquadium Unp Unnilpentium Unh Unnilhexium Uns Unnilseptium U Uranium V Vanadium Xe Xenon Yb Ytterbium Y Yttrium Zn Zinc Zr Zirconium stop_ save_ save__Author_family_title loop_ _item_enumeration_value _item_enumeration_description Sr. Senior Jr. Junior I First II Second III Third IV Fourth stop_ save_ save__Bond_order # Take from the mif definitions loop_ _item_enumeration_value _item_enumeration_description single . double . triple . aromatic . partial-double . stop_ save_ save__Bond_type loop_ _item_enumeration_value _item_enumeration_description amide . directed . # N -> O disulfide . ester . ether . hydrogen . 'metal coordination' . peptide . stop_ save_ save__Chem_shift_ambiguity_code loop_ _item_enumeration_value _item_enumeration_description 1 'Unique, not ambiguous' 2 ; Ambiguity of geminal atoms or geminal groups ; 3 ; Aromatic atoms on opposite sides of the ring (e.g. Tyr HE1 and HE2 protons) ; 4 ; Intraresidue ambiguities (e.g. Lys HG and HD protons) ; 5 'Interresidue ambiguities (Lys 12 vs. Lys 27)' 9 'Ambiguous, but specific ambiguity not defined' stop_ save_ save__Chem_shift_units loop_ _item_enumeration_value _item_enumeration_description ppm 'parts per million' Hz Hertz stop_ save_ save__Citation_status loop_ _item_enumeration_value _item_enumeration_description 'in preparation' ; A manuscript is being prepared but has not been submitted for publication. ; submitted ; A manuscript has been submitted for publication. ; 'in press' ; A manuscript has been accepted for publication, but has not yet appeared in press. ; published ; A published article exists that contains or describes the data in the entry. ; stop_ save_ save__Citation_type loop_ _item_enumeration_value _item_enumeration_description journal . book . thesis ; A document written and published as a requirement for a degree or other scholarly endeavor (e.g., senior, masters, or doctoral thesis) ; abstract ; A brief text describing the contents of a presentation, oral, poster, or other, given at a conference or other formal gathering. ; 'personal communication' ; The BMRB entry is the only known published source for the data. ; Internet ; The data were only found published on the internet and no other publication is available. ; stop_ save_ save__Concentration_value_units _Details ; # Follow SI units All reference values are taken from: P.W. Atkins, Physical chemistry, 3rd Edition, Oxford University Press, Oxford, England, 1988, ISBN 0-19-855186-7 ; loop_ _item_enumeration_value _item_enumeration_description M Molar mM millimolar uM micromolar nM nanomolar % percent v/v 'volume to volume' w/v 'weight to volume' Pa "Pascal, 1 Pa = 1 N m^-2" bar "bar, 1 bar = 10^5 Pa" atm "atmosphere, 1 atm = 1.01325 * 10^5 Pa, atm is not a SI unit" mmHg "millimetres of mercury, 1 mmHg = 133.3224 Pa, mmHg is not a SI unit" Torr "Torricelli, 1 Torr = 133.322 Pa, Torr is not a SI unit" mbar millibar K Kelvin C ; Celsius 1 degree Celcius equals 1 K but is always 273.150 lower. E.g. 25.000 C equals 298.150 K. ; mol mol g gram kg kilogram stop_ save_ save__Coordinates_release_on_publication loop_ _item_enumeration_value _item_enumeration_description yes . no . stop_ save_ save__Coupling_constant_code # List needs to be extended loop_ _item_enumeration_value _item_enumeration_description 3JHNHA . 3JHAHB . 3JHAHB2 . 3JHAHB3 . 3JNHB . 3JNHB2 . 3JNHB3 . stop_ save_ save__Database_entry_experimental_method loop_ _item_enumeration_value _item_enumeration_description NMR . 'X-ray diffraction' . 'neutron diffraction' . 'mass spectrometry' . 'theoretical calculation' . IR . stop_ save_ save__Database_name loop_ _item_enumeration_value _item_enumeration_saveframe_category _item_enumeration_description EBI molecular_system 'European Bioinformatics Institute' PDB molecular_system 'Protein Data Bank' NDB molecular_system 'Nucleic Acid Database' RCSB molecular_system 'Research Collaboratorium for Structural Biology' GenBank monomeric_polymer 'GenBank' SWISS-PROT monomeric_polymer SWISS-PROT PIR monomeric_polymer 'Protein Identification Resource' DDBJ monomeric_polymer 'DNA Database of Japan' EMBL monomeric_polymer "European Molecular Biology Laboratory". # There are others to add stop_ save_ save__Data_point_spacing loop_ _item_enumeration_value _item_enumeration_description linear 'equal spacing' non-linear 'non-equal spacing' stop_ save_ save__Data_point_type loop_ _item_enumeration_value _item_enumeration_description real . complex . stop_ save_ save__Data_type loop_ _item_enumeration_value _item_enumeration_description '1H chemical shifts' . '13C chemical shifts' . '15N chemical shifts' . 'coupling constants' . 'T1 relaxation values' . 'T1rho relaxation values' . 'T2 relaxation values' . 'chemical shift anisotropy values' . 'heteronuclear NOE values' . 'homonuclear NOE values' . 'spectral peak values' . 'S2 parameters' . 'spectral density values' . 'H exchange rates' . 'H exchange protection factors' . 'pKa values' . 'pH NMR parameter values' . 'D/H fractionation factors' . 'secondary structure values' . 'deduced hydrogen bonds' . 'representative structures' . 'structure coordinate sets' . 'NOE distance constraints' ; NOE distance constraints between two sets of atoms in which each set has at least one atom. Multiple atoms in one set should be represented by a standard single pseudoatom. If this is not possible then the constraint having such a set of atoms should be considered an ambiguous NOE distance constraints for this purpose. E.g. restaint between ( Chain A Residue number 1 Residue name LEU Atom name QD) and ( Chain A Residue number 1 Residue name LEU Atom name HA) ; 'ambiguous NOE distance constraints' ; Any NOE distance constraint that has at least one set of atoms that can not be represented by a standard single pseudoatom. E.g. restaint between ( Chain (A or B) Residue number 1 Residue name LEU Atom name HB2) and ( Chain A Residue number 1 Residue name LEU Atom name HA) ; 'hydrogen bond distance constraints' ; Distance constraints to constraint a hydrogen bond. Often two distance constraints for one hydrogen bond in order to set the bond length as well as the directionality of the bond. ; 'torsion angle constraints' ; Dihedral angle constraint ; 'chemical shift constraints' ; Chemical shift of e.g. a proton or carbon nucleus implemented as a constraint. ; 'symmetry constraints' ; Restraining (or constraining) symmetry between multiple copies of (part of) similar structures. ; stop_ save_ save__Detected_nucleus _Detail ; All values (except 33S, 43Ca, and 111Cd) are taken from Table 1-1 of Robin K. Harris, Nuclear Magnetic Resonance Spectroscopy, A Physicochemical View, Longman Scientific & Technical, Essex, England, 1992. ISBN 0-582-44653-8 ; loop_ _item_enumeration_value _item_enumeration_description 1H . 2H . 3H . 7Li . 11B . 13C . 14N . 15N . 17O . 19F . 23Na . 27Al . 31P . 33S . 43Ca . 59Co . 77Se . 111Cd . 113Cd . 119Sn . 195Pt . stop_ save_ save__Entry_origination loop_ _item_enumeration_value _item_enumeration_description author . BMRB . PDB . NDB . EBI . stop_ save_ save__Entry_type loop_ _item_enumeration_value _item_enumeration_description original ; The molecular system and reported data have not been deposited in the past by these authors. ; update ; The existing data in the entry with this BMRB accession number has been updated. ; obsolete ; The entry is no longer released by BMRB to the public. ; stop_ save_ save__Experimental_method loop_ _item_enumeration_value _item_enumeration_description NMR 'theoretical calculation' stop_ save_ save__External_reference_location loop_ _item_enumeration_value _item_enumeration_description 'in the sample' ; The external reference compound was located in the sample. ; 'external to the sample' ; The external reference compound was in a capillary or another NMR tube and was not located in the same solution as the system studied. ; stop_ save_ save__External_reference_sample_geometry loop_ _item_enumeration_value _item_enumeration_description cylindrical . spherical . other . stop_ save_ save__Fraction _Detail ; Please describe what this enumeration will be used for. gather from current entries ; loop_ _item_enumeration_value _item_enumeration_description cytoplasm . 'periplasmic space' . # gather from current entries stop_ save_ save__Journal_name _Detail ; Taken from: Chemical Abstract Services (http://www.cas.org) The _item_enumeration_description actually lists the full name. These are the journals that serve as our primary reference for more than 75 % of the BMRB entries. ; loop_ _item_enumeration_value _item_enumeration_description "Biochemistry" "Biochemistry" "Cell (Cambridge, Mass.)" "Cell (Cambridge, Massachusetts)" "J. Biomol. NMR" "Journal of Biomolecular NMR" "J. Mol. Biol." "Journal of Molecular Biology" "Nature (London)" "Nature (London)" "Nat. Struct. Biol." "Nature Structural Biology" "Science (Washington, D. C.)" "Science (Washington, D. C.)" stop_ save_ save__Kingdom _Detail ; #Update using NCBI lists ; loop_ _item_enumeration_value _item_enumeration_description Metazoa . Plantae . Eubacteria . Fungi . stop_ save_ save__Manufacturer loop_ _item_enumeration_value _item_enumeration_description Bruker ; .Bruker Analytik GmbH http://www.bruker.de Rheinstetten, Germany ; 'Chem Magnetics' . 'General Electric' ; General Electric http://www.ge.com USA. ; 'home built' . JEOL ; JEOL http://www.jeol.co.jp Japan ;. Nicolet ; Nicolet http://www.nicolet.com Madison, WI, USA ;. Varian ; Varian Inc. http://www.varianinc.com Palo Alto, CA, USA ;. stop_ save_ save__Model _Detail ; NMR spectrometer model Info taken from NMR-Dep file Bruker AM AMX DMX DRX MSL GE Gemini JEOL JEOL Varian XL Unity UnityPlus INOVA ; loop_ _item_enumeration_value _item_enumeration_description AM "from Bruker" AMX "from Bruker" DMX "from Bruker" DRX "from Bruker" MSL "from Bruker" Gemini "from General Electric" JEOL "from JEOL" XL "from Varian" Unity "from Varian" UnityPlus "from Varian" INOVA "from Varian" stop_ save_ save__Mol_aromatic loop_ _item_enumeration_value _item_enumeration_description yes . no . stop_ save_ save__Mol_binding_category loop_ _item_enumeration_value _item_enumeration_description tight ; The ligand forms a strong complex with its receptor, where the equilibrium dissociation constant is very small (Kd <= 10E-9). ; intermediate ; The equilibrium dissociation constant for the bound ligand is intermediate between that of a tightly bound ligand and a loosely bound ligand(10E-3 > Kd >10E-9). ; loose ; The ligand binds loosely to the receptor and exchanges rapidly with ligand free in solution (Kd >10E-3). ; mixed ; The ligand has one or more tight and one or more loose or intermediate binding sites on the receptor. ; stop_ save_ save__Mol_common_name _Details ; This tag is used for decribing the common name of a compound used for chemical shift refencing. All but 13P reference is taken from: D. S. Wishart, C. G. Bigam, J. Yao, F. Abildgaard, H. J. Dyson, E. Oldfield, J. L. Markley, and B. D. Sykes. 1H, 13C and 15N chemical shift referencing in biomolecular NMR. J.Biomol.NMR 6 (2):135-140, 1995. 13P; Taken from: Table 1-1 of Robin K. Harris, Nuclear Magnetic Resonance Spectroscopy, A Physicochemical View, Longman Scientific & Technical, Essex, England, 1992. ISBN 0-582-44653-8 Todo: * # extract other names from current database # need items for 13P; ; loop_ _item_enumeration_value _item_enumeration_description Water "1H standard; HDO" Acetate "13C standard; sodium acetate" Acetone "1H,13C standard" Dioxane "1H,13C standard; 1,4-dioxane;". DMSO . DSS "1H,13C standard; 2,2-dimethyl-2-silapentane-5-sulfonate" 'liquid ammonia' 'Use NH3?' TMS "1H,13C standard; .tetramethylsilane" TSP "1H,13C standard; .3-(trimethylsilyl)-propionate" urea "15N standard" CH3NO2 "15N standard; nitromethane" NH3 "15N standard; liquid ammonia" NH4Cl "15N standard" NH4NO3 "15N standard" H3PO4 "Concentrated solution of phosphorous acid" stop_ save_ save__Mol_label_category loop_ _item_enumeration_value _item_enumeration_description functional_molecular_system . ligand . molecular_system . monomeric_polymer . polymer_residue . solvent_molecule_set . solute_molecule_set . stop_ save_ save__Mol_paramagnetic loop_ _item_enumeration_value _item_enumeration_description yes . no . stop_ save_ save__Mol_polymer_class loop_ _item_enumeration_value _item_enumeration_description protein . DNA . RNA . carbohydrate . 'RNA-DNA hybrid' . stop_ save_ save__Mol_purity_value_units loop_ _item_enumeration_value _item_enumeration_description % "Fraction expressed as a percentage" stop_ save_ save__Mol_thiol_state loop_ _item_enumeration_value _item_enumeration_description 'not present' 'No thiol groups exist.' "fully reduced" 'All thiol groups are in the reduced state.' "fully oxidized" 'All thiol groups are in the oxidized state.' 'reduced and oxidized present' ; Thiol groups are present and a fraction of the groups are is in an oxidized state, while the others the others are in a reduced state. ; unknown ; The oxidation state of the thiol groups is not known. ; "not reported" ; The oxidation state of the thiol groups has not been reported by the authors (BMRB started requesting this information in October 1999, version 2.1.1). ; stop_ save_ save__Mol_type loop_ _item_enumeration_value _item_enumeration_saveframe_category _item_enumeration_description polymer monomeric_polymer . non-polymer ligand . non-polymer polymer_residue . stop_ save_ save__NMR_STAR_version loop_ _item_enumeration_value _item_enumeration_description 1.0 . 1.1 . 2.0 . 2.1 . 2.1.1 ; Two tags were added: '_System_thiol_state' and '_Mol_thiol_state'. ; stop_ save_ save__Nucleus _Detail ; This can have the same enumeration as 'save__Detected_nucleus'. ; loop_ _item_enumeration_value _item_enumeration_description 1H . 2H . 3H . 13C . 14N . 15N . 19F . 31P . 43Ca . 111Cd . 113Cd . # add other NMR active nuclei stop_ save_ save__Operating_system loop_ _item_enumeration_value _item_enumeration_description IRIX 'Version of UNIX developed by SGI' UNIX 'Originally developed by AT&T and UC Berkeley' Linux "Linux Is Not Unix; but closely resembles it" DOS ; Operating system used on many IBM and IBM compatible personal computers ; NT 'Windows New Technology operating system' stop_ save_ save__Organ loop_ _item_enumeration_value _item_enumeration_description brain . heart . intestine . kidney . liver . lung . pancreas . skin . testicle . # Many more needed stop_ save_ save__Organelle loop_ _item_enumeration_value _item_enumeration_description chloroplast . 'endoplamic reticulum' . golgi . mitochondria . nucleus . # need more here stop_ save_ save__Platform_vendor loop_ _item_enumeration_value _item_enumeration_description Sun . SGI . Dell . Compaq . 'Hewlett Packard' . IBM . Gateway . DEC . stop_ save_ save__Reference_correction_type loop_ _item_enumeration_value _item_enumeration_description temperature . pH . stop_ save_ save__Reference_method loop_ _item_enumeration_value _item_enumeration_description internal . external . stop_ save_ save__Reference_type loop_ _item_enumeration_value _item_enumeration_description direct . indirect . stop_ save_ save__Release_immediately loop_ _item_enumeration_value _item_enumeration_description yes . no . stop_ save_ save__Release_on_publication loop_ _item_enumeration_value _item_enumeration_description yes . no . stop_ save_ save__Release_author _Detail ; (Please describe what this tag is intended to describe. Or is it:) This tag describes who has typed in the data for this entry. ; loop_ _item_enumeration_value _item_enumeration_description BMRB BioMagResBank author 'Author(s) of the entry' stop_ save_ save__Release_type _Detail ; Please describe the planned use of this tag. ; loop_ _item_enumeration_value _item_enumeration_description 'update' 'The entry has been updated by the author.' 'original' ; The current entry represents the original entry fully processed at BMRB and released to the public. ; 'original preliminary' ; The current entry is a preliminary version in which the quantitative data have not yet been converted to the NMR-STAR format and checked for consistency. ; reformat ; The entry has been reformatted to meet the most recent BMRB entry format specifications. ; stop_ save_ save__Residue_secondary_structure_code _Detail ; taken from mmCIF at RCSB web site on October 28, 1999 ; loop_ _item_enumeration_value _item_enumeration_description HELX_P ; helix with handedness and type not specified (protein) ; HELX_OT_P ; helix with handedness and type that do not conform to an accepted category (protein) ; HELX_RH_P ; right-handed helix with type not specified (protein) ; HELX_RH_OT_P ; right-handed helix with type that does not conform to an accepted category (protein) ; HELX_RH_AL_P ; right-handed alpha helix (protein) ; HELX_RH_GA_P ; right-handed gamma helix (protein) ; HELX_RH_OM_P ; right-handed omega helix (protein) ; HELX_RH_PI_P ; right-handed pi helix (protein) ; HELX_RH_27_P ; right-handad 2-7 helix (protein) ; HELX_RH_3T_P ; right-handad 3-10 helix (protein) ; HELX_RH_PP_P ; right-handed polyproline helix (protein) ; HELX_LH_P ; left-handed helix with type not specified (protein) ; HELX_LH_OT_P ; left-handed helix with type that does not conform to an accepted category (protein) ; HELX_LH_AL_P ; left-handed alpha helix (protein) ; HELX_LH_GA_P ; left-handed gamma helix (protein) ; HELX_LH_OM_P ; left-handed omega helix (protein) ; HELX_LH_PI_P ; left-handed pi helix (protein) ; HELX_LH_27_P ; left-handed 2-7 helix (protein) ; HELX_LH_3T_P ; left-handed 3-10 helix (protein) ; HELX_LH_PP_P ; left-handed polyproline helix (protein) ; HELX_N ; helix with handedness and type not specified (nucleic acid) ; HELX_OT_N ; helix with handedness and type that do not conform to an accepted category (nucleic acid) ; HELX_RH_N ; right-handed helix with type not specified (nucleic acid) ; HELX_RH_OT_N ; right-handed helix with type that does not conform to an accepted category (nucleic acid) ; HELX_RH_A_N ; right-handed A helix (nucleic acid) ; HELX_RH_B_N ; right-handed B helix (nucleic acid) ; HELX_RH_Z_N ; right-handed Z helix (nucleic acid) ; HELX_LH_N ; left-handed helix with type not specified (nucleic acid) ; HELX_LH_OT_N ; left-handed helix with type that does not conform to an accepted category (nucleic acid) ; HELX_LH_A_N ; left-handed A helix (nucleic acid) ; HELX_LH_B_N ; left-handed B helix (nucleic acid) ; HELX_LH_Z_N ; left-handed Z helix (nucleic acid) ; TURN_P ; turn with type not specified (protein) ; TURN_OT_P ; turn with type that does not conform to an accepted category (protein) ; TURN_TY1_P ; type I turn (protein) ; TURN_TY1P_P ; type 1 prime turn (protein) ; TURN_TY2_P ; type II turn (protein) ; TURN_TY2P_P ; type II prime turn (protein) ; TURN_TY3_P ; type III turn (protein) ; TURN_TY3P_P ; type III prime turn (protein) ; STRN ; beta strand (protein) ; stop_ save_ _save__Sample_type _Detail ; Describes the NMR sample type ; loop_ _item_enumeration_value _item_enumeration_description bicelle . emulsion . 'filamentous virus' . gel . liposome . membrane . micelle . 'reverse micelle' . solution . solid . stop_ save_ save__Saveframe_category _Detail ; Describes what kind of information is present. ; loop_ _item_enumeration_value _item_enumeration_description assigned_chemical_shifts . bond_definitions . chemical_shift_reference . citation . contact_person . coupling_constants . D/H_fractionation_factors . deduced_hydrogen_bonds . entry_citation . entry_information . experimental_source . functional_molecular_system . H_exchange_protection_factors . H_exchange_rate . ligand . molecular_system . monomeric_polymer . natural_source . NMR_applied_experiment_details . NMR_spectrometer . NMR_spectrometer_experiments . pH_NMR_parameter_list . pKa_value_data_set . polymer_residue . representative_structure . S2_parameters . sample . sample_conditions . sample_mol_purity . secondary_structure . sequence_alignments . software . spectral_density_values . structure_coordinate_set . crosslink_bonds . NMR_applied_experiment . T1_relaxation . T2_relaxation . conformer_statistical_characteristics . constraint_statistics . distance_constraints . heteronuclear_NOE . hydrogen_bonds . secondary_structure_features . torsion_angle_constraints . stop_ save_ save__Saveframe_category_type _Detail ; Only those saveframe categories (enumerated in 'save__Saveframe_category_type') that will appear on the top of the NMR-STAR file are listed here. ; loop_ _item_enumeration_value _item_enumeration_description assigned_chemical_shifts . coupling_constants . S2_parameters . spectral_density_values . H_exchange_rate . H_exchange_protection_factors . pKa_value_data_set . pH_NMR_parameter_list . D/H_fractionation_factors . secondary_structure . deduced_hydrogen_bonds . representative_structure . structure_coordinate_set . T1_relaxation . T2_relaxation . heteronuclear_NOE . stop_ save_ save__Secretion loop_ _item_enumeration_value _item_enumeration_description saliva . venom . # gather more from entries stop_ save_ save__Segment_definition_code _Detail ; Please describe. ; loop_ _item_enumeration_value _item_enumeration_description His-tag ? stop_ save_ save__Sequence_homology_type # tag is not intended to be used in the future save_ save__Superkingdom loop_ _item_enumeration_value _item_enumeration_description Eukaryota 'NCBI names for superkingdoms' Eubacteria . Archaea . Virus . Viroids . Other 'specific value used by NCBI for what?' stop_ save_ save__System_oligomer_state loop_ _item_enumeration_value _item_enumeration_description monomer . dimer . trimer . tetramer . pentamer . hexamer . heptamer . octamer . stop_ save_ save__System_paramagnetic loop_ _item_enumeration_value _item_enumeration_description yes . no . stop_ save_ save__System_physical_state loop_ _item_enumeration_value _item_enumeration_description native . denatured . 'molten globule' . unfolded . stop_ save_ save__System_thiol_state loop_ _item_enumeration_value _item_enumeration_description 'all disulfide bound' . 'all other bound' . 'all free' . 'not present' 'Thiols are not present in the system.' 'not reported' ; The author did not report the oxidation state of the thiols. ; 'free and bound' . unkown ; The author reported that the oxidation state of the thiols is unknown. ; stop_ save_ save__System_type loop_ _item_enumeration_value _item_enumeration_description protein . 'protein-inhibitor complex' . 'protein-drug complex' . 'protein-ligand system' . 'protein-protein complex' . 'protein-DNA complex' . 'protein-DNA-ligand complex' . 'protein-DNA-inhibitor complex' . 'protein-RNA complex' . 'protein-RNA-ligand complex' . 'protein-RNA-inhibitor complex' . 'single stranded DNA' . 'double stranded DNA' . 'DNA-drug complex' . 'DNA-RNA complex' . 'DNA-RNA hybrid' . 'double stranded RNA' . 'single stranded RNA' . 'RNA-drug complex' . stop_ save_ save__Tissue loop_ _item_enumeration_value _item_enumeration_description skin ? # gather from current entries stop_ save_ save__Variable_type loop_ _item_enumeration_value _item_enumeration_description pH ; Glass electrode pH meter reading for solution in water. No unit is required ; pH* ; Uncorrected pH meter reading for solution in D2O No unit is required ; pD ; Reading for a D2O solution measured with a glass electrode filled with D2O No unit is required ; temperature ; Preferred unit is Kelvin (K) ; pressure ; Preferred unit is bar (10^5 Pa) ; 'ionic strength' ; I = 1/2 of the summation of C(i) times Z(i)^2, where the summation is taken over all of the different ions (i) in a solution, multiplying the molarity C(i) by the square of the charge Z(i). Preferred unit is M (mol/l) ; viscosity ; Preferred unit is kg.m^-1.s^-1. 1 centipoise (cP) is 10^-3 kg.m^-1.s^-1 ; 'dielectric constant' ; Also called the relative permitittivity. Pure water at 298 K has a dielectric constant of 78.54. No unit is required. ; stop_ save_