data_1995 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1995 _Entry.Title ; NMR Study of the Phosphate-Binding Elements of Escherichia coli Elongation Factor Tu Catalytic Domain ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Lowry . F. . 1995 2 Robert Cool . H. . 1995 3 Alfred Redfield . G. . 1995 4 Andrea Parmeggiani . . . 1995 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1995 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 4 1995 '1H chemical shifts' 4 1995 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2010-06-16 . revision BMRB 'Complete natural source information' 1995 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1995 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1995 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1995 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Lowry, David F., Cool, Robert H., Redfield, Alfred G., Parmeggiani, Andrea, "NMR Study of the Phosphate-Binding Elements of Escherichia coli Elongation Factor Tu Catalytic Domain," Biochemistry 30 (45), 10872-10877 (1991). ; _Citation.Title ; NMR Study of the Phosphate-Binding Elements of Escherichia coli Elongation Factor Tu Catalytic Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 45 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10872 _Citation.Page_last 10877 _Citation.Year 1991 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Lowry . F. . 1995 1 2 Robert Cool . H. . 1995 1 3 Alfred Redfield . G. . 1995 1 4 Andrea Parmeggiani . . . 1995 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_elongation_factor_Tu _Assembly.Sf_category assembly _Assembly.Sf_framecode system_elongation_factor_Tu _Assembly.Entry_ID 1995 _Assembly.ID 1 _Assembly.Name 'elongation factor Tu' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'elongation factor Tu' 1 $elongation_factor_Tu . . . . . . . . . 1995 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'elongation factor Tu' system 1995 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_elongation_factor_Tu _Entity.Sf_category entity _Entity.Sf_framecode elongation_factor_Tu _Entity.Entry_ID 1995 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'elongation factor Tu' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; SKEKFERTKPHVNVGTIGHV DHGKTTLTAAITTVLAKTYG GAARAFDQIDNAPEEKARGI TINTSHVEYDTPTRHYAHVD CPGHADYVKNMITGAAQMDG AILVVAATDGPMPQTREHIL LGRQVGVPYIIVFLNKCDMV DDEELLELVEMEVRELLSQY DFPGDDTPIVRGSALKALEG DAEWEAKILELAGFLDSYIP ; _Entity.Polymer_seq_one_letter_code ; SKEKFERTKPHVNVGTIGHV DHGKTTLTAAITTVLAKTYG GAARAFDQIDNAPEEKARGI TINTSHVEYDTPTRHYAHVD CPGHADYVKNMITGAAQMDG AILVVAATDGPMPQTREHIL LGRQVGVPYIIVFLNKCDMV DDEELLELVEMEVRELLSQY DFPGDDTPIVRGSALKALEG DAEWEAKILELAGFLDSYIP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1996 . "elongation factor Tu" . . . . . 100.00 200 99.50 99.50 1.14e-142 . . . . 1995 1 2 no PDB 1D8T . "Crystal Structure Of Elongation Factor, Tu (Ef-Tu-Mggdp) Complexed With Ge2270a, A Thiazolyl Peptide Antibiotic" . . . . . 100.00 393 100.00 100.00 1.03e-141 . . . . 1995 1 3 no PDB 1DG1 . "Whole, Unmodified, Ef-Tu(Elongation Factor Tu)." . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 4 no PDB 1EFC . "Intact Elongation Factor From E.Coli" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 5 no PDB 1EFU . "Elongation Factor Complex Ef-TuEF-Ts From Escherichia Coli" . . . . . 96.00 385 100.00 100.00 2.04e-135 . . . . 1995 1 6 no PDB 1ETU . "Structural Details Of The Binding Of Guanosine Diphosphate To Elongation Factor Tu From E. Coli As Studied By X-Ray Crystallogr" . . . . . 100.00 393 100.00 100.00 1.03e-141 . . . . 1995 1 7 no PDB 1LS2 . "Fitting Of Ef-Tu And Trna In The Low Resolution Cryo-Em Map Of An Ef-Tu Ternary Complex (Gdp And Kirromycin) Bound To E. Coli 7" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 8 no PDB 1OB2 . "E. Coli Elongation Factor Ef-tu Complexed With The Antibiotic Kirromycin, A Gtp Analog, And Phe-trna" . . . . . 100.00 393 99.50 100.00 2.68e-141 . . . . 1995 1 9 no PDB 1QZD . "Ef-Tu.Kirromycin Coordinates Fitted Into The Cryo-Em Map Of Ef-Tu Ternary Complex (Gdp.Kirromycin) Bound 70s Ribosome" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 10 no PDB 2BVN . "E. Coli Ef-Tu:gdpnp In Complex With The Antibiotic Enacyloxin Iia" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 11 no PDB 2FX3 . "Crystal Structure Determination Of E. Coli Elongation Factor, Tu Using A Twinned Data Set" . . . . . 100.00 393 100.00 100.00 1.03e-141 . . . . 1995 1 12 no PDB 2HCJ . "trypsin-Modified Elongation Factor Tu In Complex With Tetracycline" . . . . . 71.00 335 99.30 99.30 4.45e-95 . . . . 1995 1 13 no PDB 2HDN . "Trypsin-Modified Elongation Factor Tu In Complex With Tetracycline At 2.8 Angstrom Resolution" . . . . . 71.00 335 100.00 100.00 9.96e-97 . . . . 1995 1 14 no PDB 3AGP . "Structure Of Viral Polymerase Form I" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 15 no PDB 3AGQ . "Structure Of Viral Polymerase Form Ii" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 16 no PDB 3AVT . "Structure Of Viral Rna Polymerase Complex 1" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 17 no PDB 3AVU . "Structure Of Viral Rna Polymerase Complex 2" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 18 no PDB 3AVV . "Structure Of Viral Rna Polymerase Complex 3" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 19 no PDB 3AVW . "Structure Of Viral Rna Polymerase Complex 4" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 20 no PDB 3AVX . "Structure Of Viral Rna Polymerase Complex 5" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 21 no PDB 3AVY . "Structure Of Viral Rna Polymerase Complex 6" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 22 no PDB 3EP2 . "Model Of Phe-Trna(Phe) In The Ribosomal Pre-Accommodated State Revealed By Cryo-Em" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 23 no PDB 3EQ3 . "Model Of Trna(Trp)-Ef-Tu In The Ribosomal Pre-Accommodated State Revealed By Cryo-Em" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 24 no PDB 3EQ4 . "Model Of Trna(Leu)-Ef-Tu In The Ribosomal Pre-Accommodated State Revealed By Cryo-Em" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 25 no PDB 3FIH . "Ternary Complex-Bound E.Coli 70s Ribosome. This Entry Consists Of The 30s Subunit, Trnas And The Ternary Complex." . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 26 no PDB 3IZV . "Structural Insights Into Cognate Vs. Near-Cognate Discrimination During Decoding. This Entry Contains The Small Subunit Of A Ri" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 27 no PDB 3IZW . "Structural Insights Into Cognate Vs. Near-Cognate Discrimination During Decoding.This Entry Contains The Small Subunit Of A Rib" . . . . . 100.00 393 100.00 100.00 9.12e-142 . . . . 1995 1 28 no PDB 3MMP . "Structure Of The Qb Replicase, An Rna-Dependent Rna Polymerase Consisting Of Viral And Host Proteins" . . . . . 100.00 678 100.00 100.00 3.53e-140 . . . . 1995 1 29 no PDB 3U2Q . "Ef-Tu (Escherichia Coli) In Complex With Nvp-Lff571" . . . . . 100.00 394 99.50 100.00 3.45e-141 . . . . 1995 1 30 no PDB 3U6B . "Ef-Tu (Escherichia Coli) In Complex With Nvp-Ldi028" . . . . . 100.00 394 99.50 100.00 3.45e-141 . . . . 1995 1 31 no PDB 3U6K . "Ef-Tu (Escherichia Coli) In Complex With Nvp-Ldk733" . . . . . 100.00 394 99.50 100.00 3.45e-141 . . . . 1995 1 32 no PDB 3VNU . "Complex Structure Of Viral Rna Polymerase I" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 33 no PDB 3VNV . "Complex Structure Of Viral Rna Polymerase Ii" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 34 no PDB 4FWT . "Complex Structure Of Viral Rna Polymerase Form Iii" . . . . . 100.00 1289 100.00 100.00 3.42e-133 . . . . 1995 1 35 no PDB 4G5G . "Ef-Tu (Escherichia Coli) Complexed With Nvp-Ldu796" . . . . . 100.00 394 99.50 100.00 3.45e-141 . . . . 1995 1 36 no PDB 4P3Y . "Crystal Structure Of Acinetobacter Baumannii Dsba In Complex With Ef- Tu" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 37 no PDB 4PC1 . "Elongation Factor Tu:ts Complex With A Bound Phosphate" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 38 no PDB 4PC2 . "Elongation Factor Tu:ts Complex With A Bound Gdp" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 39 no PDB 4PC3 . "Elongation Factor Tu:ts Complex With Partially Bound Gdp" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 40 no PDB 4PC6 . "Elongation Factor Tu:ts Complex With Bound Gdpnp" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 41 no PDB 4PC7 . "Elongation Factor Tu:ts Complex In A Near Gtp Conformation." . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 42 no PDB 4Q7J . "Complex Structure Of Viral Rna Polymerase" . . . . . 100.00 393 100.00 100.00 1.03e-141 . . . . 1995 1 43 no PDB 4R71 . "Structure Of The Qbeta Holoenzyme Complex In The P1211 Crystal Form" . . . . . 100.00 694 100.00 100.00 7.92e-140 . . . . 1995 1 44 no DBJ BAB37613 . "protein chain elongation factor EF-Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 45 no DBJ BAB38326 . "protein chain elongation factor EF-Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 46 no DBJ BAE77340 . "protein chain elongation factor EF-Tu [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 47 no DBJ BAE77952 . "protein chain elongation factor EF-Tu [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 48 no DBJ BAG79124 . "translation elongation factor EF-Tu [Escherichia coli SE11]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 49 no EMBL CAA38912 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 394 99.50 100.00 3.72e-141 . . . . 1995 1 50 no EMBL CAA38913 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 394 99.50 100.00 3.72e-141 . . . . 1995 1 51 no EMBL CAA40370 . "translation elongation factor EF-Tu [Escherichia coli]" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 52 no EMBL CAD08168 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 394 99.50 100.00 3.72e-141 . . . . 1995 1 53 no EMBL CAD09494 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 394 99.50 100.00 3.72e-141 . . . . 1995 1 54 no GB AAA24669 . "elongation factor Tu [Escherichia coli]" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 55 no GB AAA50993 . "elongation factor Tu [Escherichia coli]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 56 no GB AAA58136 . "CG Site No. 61 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 57 no GB AAC43078 . "elongation factor EF-Tu (duplicate gene) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 58 no GB AAC76364 . "translation elongation factor EF-Tu 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 59 no PIR AD0934 . "elongation factor Tu [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 394 99.50 100.00 3.72e-141 . . . . 1995 1 60 no PIR AD1005 . "elongation factor Tu [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 394 99.50 100.00 3.72e-141 . . . . 1995 1 61 no PIR D86089 . "hypothetical protein tufB [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 394 98.50 98.50 3.99e-138 . . . . 1995 1 62 no PIR F91152 . "protein chain elongation factor EF-Tu [imported] - Escherichia coli (strain O157:H7, substrain RIMD 0509952)" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 63 no PRF 0803214A . "elongation factor Tu 59-263" . . . . . 71.00 205 100.00 100.00 1.32e-98 . . . . 1995 1 64 no REF NP_312217 . "elongation factor Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 65 no REF NP_312930 . "elongation factor Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 66 no REF NP_417798 . "translation elongation factor EF-Tu 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 67 no REF NP_418407 . "translation elongation factor EF-Tu 2 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 68 no REF NP_457924 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 394 99.50 100.00 3.72e-141 . . . . 1995 1 69 no SP A1AGM6 . "RecName: Full=Elongation factor Tu 1; Short=EF-Tu 1" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 70 no SP A1AIF3 . "RecName: Full=Elongation factor Tu 2; Short=EF-Tu 2" . . . . . 100.00 394 100.00 100.00 9.96e-142 . . . . 1995 1 71 no SP A6TEX7 . "RecName: Full=Elongation factor Tu; Short=EF-Tu" . . . . . 100.00 394 98.00 99.50 6.89e-139 . . . . 1995 1 72 no SP A7MKI5 . "RecName: Full=Elongation factor Tu; Short=EF-Tu" . . . . . 100.00 394 98.50 99.50 1.60e-139 . . . . 1995 1 73 no SP A7ZSL4 . "RecName: Full=Elongation factor Tu 1; Short=EF-Tu 1" . . . . . 100.00 394 100.00 100.00 1.12e-141 . . . . 1995 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'catalytic domain' variant 1995 1 'elongation factor Tu' common 1995 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 1995 1 2 . LYS . 1995 1 3 . GLU . 1995 1 4 . LYS . 1995 1 5 . PHE . 1995 1 6 . GLU . 1995 1 7 . ARG . 1995 1 8 . THR . 1995 1 9 . LYS . 1995 1 10 . PRO . 1995 1 11 . HIS . 1995 1 12 . VAL . 1995 1 13 . ASN . 1995 1 14 . VAL . 1995 1 15 . GLY . 1995 1 16 . THR . 1995 1 17 . ILE . 1995 1 18 . GLY . 1995 1 19 . HIS . 1995 1 20 . VAL . 1995 1 21 . ASP . 1995 1 22 . HIS . 1995 1 23 . GLY . 1995 1 24 . LYS . 1995 1 25 . THR . 1995 1 26 . THR . 1995 1 27 . LEU . 1995 1 28 . THR . 1995 1 29 . ALA . 1995 1 30 . ALA . 1995 1 31 . ILE . 1995 1 32 . THR . 1995 1 33 . THR . 1995 1 34 . VAL . 1995 1 35 . LEU . 1995 1 36 . ALA . 1995 1 37 . LYS . 1995 1 38 . THR . 1995 1 39 . TYR . 1995 1 40 . GLY . 1995 1 41 . GLY . 1995 1 42 . ALA . 1995 1 43 . ALA . 1995 1 44 . ARG . 1995 1 45 . ALA . 1995 1 46 . PHE . 1995 1 47 . ASP . 1995 1 48 . GLN . 1995 1 49 . ILE . 1995 1 50 . ASP . 1995 1 51 . ASN . 1995 1 52 . ALA . 1995 1 53 . PRO . 1995 1 54 . GLU . 1995 1 55 . GLU . 1995 1 56 . LYS . 1995 1 57 . ALA . 1995 1 58 . ARG . 1995 1 59 . GLY . 1995 1 60 . ILE . 1995 1 61 . THR . 1995 1 62 . ILE . 1995 1 63 . ASN . 1995 1 64 . THR . 1995 1 65 . SER . 1995 1 66 . HIS . 1995 1 67 . VAL . 1995 1 68 . GLU . 1995 1 69 . TYR . 1995 1 70 . ASP . 1995 1 71 . THR . 1995 1 72 . PRO . 1995 1 73 . THR . 1995 1 74 . ARG . 1995 1 75 . HIS . 1995 1 76 . TYR . 1995 1 77 . ALA . 1995 1 78 . HIS . 1995 1 79 . VAL . 1995 1 80 . ASP . 1995 1 81 . CYS . 1995 1 82 . PRO . 1995 1 83 . GLY . 1995 1 84 . HIS . 1995 1 85 . ALA . 1995 1 86 . ASP . 1995 1 87 . TYR . 1995 1 88 . VAL . 1995 1 89 . LYS . 1995 1 90 . ASN . 1995 1 91 . MET . 1995 1 92 . ILE . 1995 1 93 . THR . 1995 1 94 . GLY . 1995 1 95 . ALA . 1995 1 96 . ALA . 1995 1 97 . GLN . 1995 1 98 . MET . 1995 1 99 . ASP . 1995 1 100 . GLY . 1995 1 101 . ALA . 1995 1 102 . ILE . 1995 1 103 . LEU . 1995 1 104 . VAL . 1995 1 105 . VAL . 1995 1 106 . ALA . 1995 1 107 . ALA . 1995 1 108 . THR . 1995 1 109 . ASP . 1995 1 110 . GLY . 1995 1 111 . PRO . 1995 1 112 . MET . 1995 1 113 . PRO . 1995 1 114 . GLN . 1995 1 115 . THR . 1995 1 116 . ARG . 1995 1 117 . GLU . 1995 1 118 . HIS . 1995 1 119 . ILE . 1995 1 120 . LEU . 1995 1 121 . LEU . 1995 1 122 . GLY . 1995 1 123 . ARG . 1995 1 124 . GLN . 1995 1 125 . VAL . 1995 1 126 . GLY . 1995 1 127 . VAL . 1995 1 128 . PRO . 1995 1 129 . TYR . 1995 1 130 . ILE . 1995 1 131 . ILE . 1995 1 132 . VAL . 1995 1 133 . PHE . 1995 1 134 . LEU . 1995 1 135 . ASN . 1995 1 136 . LYS . 1995 1 137 . CYS . 1995 1 138 . ASP . 1995 1 139 . MET . 1995 1 140 . VAL . 1995 1 141 . ASP . 1995 1 142 . ASP . 1995 1 143 . GLU . 1995 1 144 . GLU . 1995 1 145 . LEU . 1995 1 146 . LEU . 1995 1 147 . GLU . 1995 1 148 . LEU . 1995 1 149 . VAL . 1995 1 150 . GLU . 1995 1 151 . MET . 1995 1 152 . GLU . 1995 1 153 . VAL . 1995 1 154 . ARG . 1995 1 155 . GLU . 1995 1 156 . LEU . 1995 1 157 . LEU . 1995 1 158 . SER . 1995 1 159 . GLN . 1995 1 160 . TYR . 1995 1 161 . ASP . 1995 1 162 . PHE . 1995 1 163 . PRO . 1995 1 164 . GLY . 1995 1 165 . ASP . 1995 1 166 . ASP . 1995 1 167 . THR . 1995 1 168 . PRO . 1995 1 169 . ILE . 1995 1 170 . VAL . 1995 1 171 . ARG . 1995 1 172 . GLY . 1995 1 173 . SER . 1995 1 174 . ALA . 1995 1 175 . LEU . 1995 1 176 . LYS . 1995 1 177 . ALA . 1995 1 178 . LEU . 1995 1 179 . GLU . 1995 1 180 . GLY . 1995 1 181 . ASP . 1995 1 182 . ALA . 1995 1 183 . GLU . 1995 1 184 . TRP . 1995 1 185 . GLU . 1995 1 186 . ALA . 1995 1 187 . LYS . 1995 1 188 . ILE . 1995 1 189 . LEU . 1995 1 190 . GLU . 1995 1 191 . LEU . 1995 1 192 . ALA . 1995 1 193 . GLY . 1995 1 194 . PHE . 1995 1 195 . LEU . 1995 1 196 . ASP . 1995 1 197 . SER . 1995 1 198 . TYR . 1995 1 199 . ILE . 1995 1 200 . PRO . 1995 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 1995 1 . LYS 2 2 1995 1 . GLU 3 3 1995 1 . LYS 4 4 1995 1 . PHE 5 5 1995 1 . GLU 6 6 1995 1 . ARG 7 7 1995 1 . THR 8 8 1995 1 . LYS 9 9 1995 1 . PRO 10 10 1995 1 . HIS 11 11 1995 1 . VAL 12 12 1995 1 . ASN 13 13 1995 1 . VAL 14 14 1995 1 . GLY 15 15 1995 1 . THR 16 16 1995 1 . ILE 17 17 1995 1 . GLY 18 18 1995 1 . HIS 19 19 1995 1 . VAL 20 20 1995 1 . ASP 21 21 1995 1 . HIS 22 22 1995 1 . GLY 23 23 1995 1 . LYS 24 24 1995 1 . THR 25 25 1995 1 . THR 26 26 1995 1 . LEU 27 27 1995 1 . THR 28 28 1995 1 . ALA 29 29 1995 1 . ALA 30 30 1995 1 . ILE 31 31 1995 1 . THR 32 32 1995 1 . THR 33 33 1995 1 . VAL 34 34 1995 1 . LEU 35 35 1995 1 . ALA 36 36 1995 1 . LYS 37 37 1995 1 . THR 38 38 1995 1 . TYR 39 39 1995 1 . GLY 40 40 1995 1 . GLY 41 41 1995 1 . ALA 42 42 1995 1 . ALA 43 43 1995 1 . ARG 44 44 1995 1 . ALA 45 45 1995 1 . PHE 46 46 1995 1 . ASP 47 47 1995 1 . GLN 48 48 1995 1 . ILE 49 49 1995 1 . ASP 50 50 1995 1 . ASN 51 51 1995 1 . ALA 52 52 1995 1 . PRO 53 53 1995 1 . GLU 54 54 1995 1 . GLU 55 55 1995 1 . LYS 56 56 1995 1 . ALA 57 57 1995 1 . ARG 58 58 1995 1 . GLY 59 59 1995 1 . ILE 60 60 1995 1 . THR 61 61 1995 1 . ILE 62 62 1995 1 . ASN 63 63 1995 1 . THR 64 64 1995 1 . SER 65 65 1995 1 . HIS 66 66 1995 1 . VAL 67 67 1995 1 . GLU 68 68 1995 1 . TYR 69 69 1995 1 . ASP 70 70 1995 1 . THR 71 71 1995 1 . PRO 72 72 1995 1 . THR 73 73 1995 1 . ARG 74 74 1995 1 . HIS 75 75 1995 1 . TYR 76 76 1995 1 . ALA 77 77 1995 1 . HIS 78 78 1995 1 . VAL 79 79 1995 1 . ASP 80 80 1995 1 . CYS 81 81 1995 1 . PRO 82 82 1995 1 . GLY 83 83 1995 1 . HIS 84 84 1995 1 . ALA 85 85 1995 1 . ASP 86 86 1995 1 . TYR 87 87 1995 1 . VAL 88 88 1995 1 . LYS 89 89 1995 1 . ASN 90 90 1995 1 . MET 91 91 1995 1 . ILE 92 92 1995 1 . THR 93 93 1995 1 . GLY 94 94 1995 1 . ALA 95 95 1995 1 . ALA 96 96 1995 1 . GLN 97 97 1995 1 . MET 98 98 1995 1 . ASP 99 99 1995 1 . GLY 100 100 1995 1 . ALA 101 101 1995 1 . ILE 102 102 1995 1 . LEU 103 103 1995 1 . VAL 104 104 1995 1 . VAL 105 105 1995 1 . ALA 106 106 1995 1 . ALA 107 107 1995 1 . THR 108 108 1995 1 . ASP 109 109 1995 1 . GLY 110 110 1995 1 . PRO 111 111 1995 1 . MET 112 112 1995 1 . PRO 113 113 1995 1 . GLN 114 114 1995 1 . THR 115 115 1995 1 . ARG 116 116 1995 1 . GLU 117 117 1995 1 . HIS 118 118 1995 1 . ILE 119 119 1995 1 . LEU 120 120 1995 1 . LEU 121 121 1995 1 . GLY 122 122 1995 1 . ARG 123 123 1995 1 . GLN 124 124 1995 1 . VAL 125 125 1995 1 . GLY 126 126 1995 1 . VAL 127 127 1995 1 . PRO 128 128 1995 1 . TYR 129 129 1995 1 . ILE 130 130 1995 1 . ILE 131 131 1995 1 . VAL 132 132 1995 1 . PHE 133 133 1995 1 . LEU 134 134 1995 1 . ASN 135 135 1995 1 . LYS 136 136 1995 1 . CYS 137 137 1995 1 . ASP 138 138 1995 1 . MET 139 139 1995 1 . VAL 140 140 1995 1 . ASP 141 141 1995 1 . ASP 142 142 1995 1 . GLU 143 143 1995 1 . GLU 144 144 1995 1 . LEU 145 145 1995 1 . LEU 146 146 1995 1 . GLU 147 147 1995 1 . LEU 148 148 1995 1 . VAL 149 149 1995 1 . GLU 150 150 1995 1 . MET 151 151 1995 1 . GLU 152 152 1995 1 . VAL 153 153 1995 1 . ARG 154 154 1995 1 . GLU 155 155 1995 1 . LEU 156 156 1995 1 . LEU 157 157 1995 1 . SER 158 158 1995 1 . GLN 159 159 1995 1 . TYR 160 160 1995 1 . ASP 161 161 1995 1 . PHE 162 162 1995 1 . PRO 163 163 1995 1 . GLY 164 164 1995 1 . ASP 165 165 1995 1 . ASP 166 166 1995 1 . THR 167 167 1995 1 . PRO 168 168 1995 1 . ILE 169 169 1995 1 . VAL 170 170 1995 1 . ARG 171 171 1995 1 . GLY 172 172 1995 1 . SER 173 173 1995 1 . ALA 174 174 1995 1 . LEU 175 175 1995 1 . LYS 176 176 1995 1 . ALA 177 177 1995 1 . LEU 178 178 1995 1 . GLU 179 179 1995 1 . GLY 180 180 1995 1 . ASP 181 181 1995 1 . ALA 182 182 1995 1 . GLU 183 183 1995 1 . TRP 184 184 1995 1 . GLU 185 185 1995 1 . ALA 186 186 1995 1 . LYS 187 187 1995 1 . ILE 188 188 1995 1 . LEU 189 189 1995 1 . GLU 190 190 1995 1 . LEU 191 191 1995 1 . ALA 192 192 1995 1 . GLY 193 193 1995 1 . PHE 194 194 1995 1 . LEU 195 195 1995 1 . ASP 196 196 1995 1 . SER 197 197 1995 1 . TYR 198 198 1995 1 . ILE 199 199 1995 1 . PRO 200 200 1995 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 1995 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $elongation_factor_Tu . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli generic . . . . . . . . . . . . . . . . . . . . 1995 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 1995 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $elongation_factor_Tu . 'not available' 'Escherichia coli' . . . Escherichia coli generic . . . . . . . . . . . . . . . . . . . . . . 1995 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1995 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1995 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.6 . na 1995 1 temperature 290 . K 1995 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1995 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1995 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1995 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 1995 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1995 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1995 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1995 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1995 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 1995 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 18 18 GLY H H 1 6.95 . . 1 . . . . . . . . 1995 1 2 . 1 1 18 18 GLY N N 15 106.1 . . 1 . . . . . . . . 1995 1 3 . 1 1 23 23 GLY H H 1 9.07 . . 1 . . . . . . . . 1995 1 4 . 1 1 23 23 GLY N N 15 108.7 . . 1 . . . . . . . . 1995 1 5 . 1 1 24 24 LYS H H 1 11.05 . . 1 . . . . . . . . 1995 1 6 . 1 1 24 24 LYS N N 15 126.7 . . 1 . . . . . . . . 1995 1 7 . 1 1 83 83 GLY H H 1 11.34 . . 1 . . . . . . . . 1995 1 8 . 1 1 83 83 GLY N N 15 114.3 . . 1 . . . . . . . . 1995 1 stop_ save_