data_1996 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1996 _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. . 1996 2 Robert Cool . H. . 1996 3 Alfred Redfield . G. . 1996 4 Andrea Parmeggiani . . . 1996 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1996 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 4 1996 '1H chemical shifts' 4 1996 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' 1996 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1996 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1996 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1996 _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. . 1996 1 2 Robert Cool . H. . 1996 1 3 Alfred Redfield . G. . 1996 1 4 Andrea Parmeggiani . . . 1996 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 1996 _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 . . . . . . . . . 1996 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 1996 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_elongation_factor_Tu _Entity.Sf_category entity _Entity.Sf_framecode elongation_factor_Tu _Entity.Entry_ID 1996 _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 CPGGADYVKNMITGAAQMDG AILVVAATDGPMPQTREHIL LGRQVGVPYIIVFLNKCDMV DDEELLELVEMEVRELLSQY DFPGDDTPIVRGSALKALEG DAEWEAKILELAGFLDSYIP ; _Entity.Polymer_seq_one_letter_code ; SKEKFERTKPHVNVGTIGHV DHGKTTLTAAITTVLAKTYG GAARAFDQIDNAPEEKARGI TINTSHVEYDTPTRHYAHVD CPGGADYVKNMITGAAQMDG 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 1995 . "elongation factor Tu" . . . . . 100.00 200 99.50 99.50 1.14e-142 . . . . 1996 1 2 no PDB 1D8T . "Crystal Structure Of Elongation Factor, Tu (Ef-Tu-Mggdp) Complexed With Ge2270a, A Thiazolyl Peptide Antibiotic" . . . . . 100.00 393 99.50 99.50 3.40e-140 . . . . 1996 1 3 no PDB 1DG1 . "Whole, Unmodified, Ef-Tu(Elongation Factor Tu)." . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 4 no PDB 1EFC . "Intact Elongation Factor From E.Coli" . . . . . 100.00 393 99.50 99.50 2.95e-140 . . . . 1996 1 5 no PDB 1EFU . "Elongation Factor Complex Ef-TuEF-Ts From Escherichia Coli" . . . . . 96.00 385 99.48 99.48 8.76e-134 . . . . 1996 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 99.50 99.50 3.40e-140 . . . . 1996 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 99.50 99.50 2.95e-140 . . . . 1996 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 99.00 99.50 1.08e-139 . . . . 1996 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 99.50 99.50 2.95e-140 . . . . 1996 1 10 no PDB 2BVN . "E. Coli Ef-Tu:gdpnp In Complex With The Antibiotic Enacyloxin Iia" . . . . . 100.00 393 99.50 99.50 2.95e-140 . . . . 1996 1 11 no PDB 2FX3 . "Crystal Structure Determination Of E. Coli Elongation Factor, Tu Using A Twinned Data Set" . . . . . 100.00 393 99.50 99.50 3.40e-140 . . . . 1996 1 12 no PDB 2HCJ . "trypsin-Modified Elongation Factor Tu In Complex With Tetracycline" . . . . . 71.00 335 98.59 98.59 2.05e-93 . . . . 1996 1 13 no PDB 2HDN . "Trypsin-Modified Elongation Factor Tu In Complex With Tetracycline At 2.8 Angstrom Resolution" . . . . . 71.00 335 99.30 99.30 3.86e-95 . . . . 1996 1 14 no PDB 3AGP . "Structure Of Viral Polymerase Form I" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 15 no PDB 3AGQ . "Structure Of Viral Polymerase Form Ii" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 16 no PDB 3AVT . "Structure Of Viral Rna Polymerase Complex 1" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 17 no PDB 3AVU . "Structure Of Viral Rna Polymerase Complex 2" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 18 no PDB 3AVV . "Structure Of Viral Rna Polymerase Complex 3" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 19 no PDB 3AVW . "Structure Of Viral Rna Polymerase Complex 4" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 20 no PDB 3AVX . "Structure Of Viral Rna Polymerase Complex 5" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 21 no PDB 3AVY . "Structure Of Viral Rna Polymerase Complex 6" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 22 no PDB 3EP2 . "Model Of Phe-Trna(Phe) In The Ribosomal Pre-Accommodated State Revealed By Cryo-Em" . . . . . 100.00 393 99.50 99.50 2.95e-140 . . . . 1996 1 23 no PDB 3EQ3 . "Model Of Trna(Trp)-Ef-Tu In The Ribosomal Pre-Accommodated State Revealed By Cryo-Em" . . . . . 100.00 393 99.50 99.50 2.95e-140 . . . . 1996 1 24 no PDB 3EQ4 . "Model Of Trna(Leu)-Ef-Tu In The Ribosomal Pre-Accommodated State Revealed By Cryo-Em" . . . . . 100.00 393 99.50 99.50 2.95e-140 . . . . 1996 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 99.50 99.50 2.95e-140 . . . . 1996 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 99.50 99.50 2.95e-140 . . . . 1996 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 99.50 99.50 2.95e-140 . . . . 1996 1 28 no PDB 3MMP . "Structure Of The Qb Replicase, An Rna-Dependent Rna Polymerase Consisting Of Viral And Host Proteins" . . . . . 100.00 678 99.50 99.50 1.45e-138 . . . . 1996 1 29 no PDB 3U2Q . "Ef-Tu (Escherichia Coli) In Complex With Nvp-Lff571" . . . . . 100.00 394 99.00 99.50 1.32e-139 . . . . 1996 1 30 no PDB 3U6B . "Ef-Tu (Escherichia Coli) In Complex With Nvp-Ldi028" . . . . . 100.00 394 99.00 99.50 1.32e-139 . . . . 1996 1 31 no PDB 3U6K . "Ef-Tu (Escherichia Coli) In Complex With Nvp-Ldk733" . . . . . 100.00 394 99.00 99.50 1.32e-139 . . . . 1996 1 32 no PDB 3VNU . "Complex Structure Of Viral Rna Polymerase I" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 33 no PDB 3VNV . "Complex Structure Of Viral Rna Polymerase Ii" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 34 no PDB 4FWT . "Complex Structure Of Viral Rna Polymerase Form Iii" . . . . . 100.00 1289 99.50 99.50 1.18e-131 . . . . 1996 1 35 no PDB 4G5G . "Ef-Tu (Escherichia Coli) Complexed With Nvp-Ldu796" . . . . . 100.00 394 99.00 99.50 1.32e-139 . . . . 1996 1 36 no PDB 4P3Y . "Crystal Structure Of Acinetobacter Baumannii Dsba In Complex With Ef- Tu" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 37 no PDB 4PC1 . "Elongation Factor Tu:ts Complex With A Bound Phosphate" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 38 no PDB 4PC2 . "Elongation Factor Tu:ts Complex With A Bound Gdp" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 39 no PDB 4PC3 . "Elongation Factor Tu:ts Complex With Partially Bound Gdp" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 40 no PDB 4PC6 . "Elongation Factor Tu:ts Complex With Bound Gdpnp" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 41 no PDB 4PC7 . "Elongation Factor Tu:ts Complex In A Near Gtp Conformation." . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 42 no PDB 4Q7J . "Complex Structure Of Viral Rna Polymerase" . . . . . 100.00 393 99.50 99.50 3.40e-140 . . . . 1996 1 43 no PDB 4R71 . "Structure Of The Qbeta Holoenzyme Complex In The P1211 Crystal Form" . . . . . 100.00 694 99.50 99.50 3.08e-138 . . . . 1996 1 44 no DBJ BAB37613 . "protein chain elongation factor EF-Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 45 no DBJ BAB38326 . "protein chain elongation factor EF-Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 46 no DBJ BAE77340 . "protein chain elongation factor EF-Tu [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 47 no DBJ BAE77952 . "protein chain elongation factor EF-Tu [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 48 no DBJ BAG79124 . "translation elongation factor EF-Tu [Escherichia coli SE11]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 49 no EMBL CAA38912 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 394 99.00 99.50 1.23e-139 . . . . 1996 1 50 no EMBL CAA38913 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 394 99.00 99.50 1.23e-139 . . . . 1996 1 51 no EMBL CAA40370 . "translation elongation factor EF-Tu [Escherichia coli]" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 52 no EMBL CAD08168 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 394 99.00 99.50 1.23e-139 . . . . 1996 1 53 no EMBL CAD09494 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 394 99.00 99.50 1.23e-139 . . . . 1996 1 54 no GB AAA24669 . "elongation factor Tu [Escherichia coli]" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 55 no GB AAA50993 . "elongation factor Tu [Escherichia coli]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 56 no GB AAA58136 . "CG Site No. 61 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 57 no GB AAC43078 . "elongation factor EF-Tu (duplicate gene) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 58 no GB AAC76364 . "translation elongation factor EF-Tu 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 59 no PIR AD0934 . "elongation factor Tu [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 394 99.00 99.50 1.23e-139 . . . . 1996 1 60 no PIR AD1005 . "elongation factor Tu [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 394 99.00 99.50 1.23e-139 . . . . 1996 1 61 no PIR D86089 . "hypothetical protein tufB [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 394 98.00 98.00 1.30e-136 . . . . 1996 1 62 no PIR F91152 . "protein chain elongation factor EF-Tu [imported] - Escherichia coli (strain O157:H7, substrain RIMD 0509952)" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 63 no PRF 0803214A . "elongation factor Tu 59-263" . . . . . 71.00 205 99.30 99.30 6.59e-97 . . . . 1996 1 64 no REF NP_312217 . "elongation factor Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 65 no REF NP_312930 . "elongation factor Tu [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 66 no REF NP_417798 . "translation elongation factor EF-Tu 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 67 no REF NP_418407 . "translation elongation factor EF-Tu 2 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 68 no REF NP_457924 . "elongation factor Tu [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 394 99.00 99.50 1.23e-139 . . . . 1996 1 69 no SP A1AGM6 . "RecName: Full=Elongation factor Tu 1; Short=EF-Tu 1" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 70 no SP A1AIF3 . "RecName: Full=Elongation factor Tu 2; Short=EF-Tu 2" . . . . . 100.00 394 99.50 99.50 3.22e-140 . . . . 1996 1 71 no SP A6TEX7 . "RecName: Full=Elongation factor Tu; Short=EF-Tu" . . . . . 100.00 394 97.50 99.00 2.02e-137 . . . . 1996 1 72 no SP A7MKI5 . "RecName: Full=Elongation factor Tu; Short=EF-Tu" . . . . . 100.00 394 98.00 99.00 5.96e-138 . . . . 1996 1 73 no SP A7ZSL4 . "RecName: Full=Elongation factor Tu 1; Short=EF-Tu 1" . . . . . 100.00 394 99.50 99.50 3.71e-140 . . . . 1996 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'catalytic domain,H84G' variant 1996 1 'elongation factor Tu' common 1996 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 1 SER . 1996 1 2 2 LYS . 1996 1 3 3 GLU . 1996 1 4 4 LYS . 1996 1 5 5 PHE . 1996 1 6 6 GLU . 1996 1 7 7 ARG . 1996 1 8 8 THR . 1996 1 9 9 LYS . 1996 1 10 10 PRO . 1996 1 11 11 HIS . 1996 1 12 12 VAL . 1996 1 13 13 ASN . 1996 1 14 14 VAL . 1996 1 15 15 GLY . 1996 1 16 16 THR . 1996 1 17 17 ILE . 1996 1 18 18 GLY . 1996 1 19 19 HIS . 1996 1 20 20 VAL . 1996 1 21 21 ASP . 1996 1 22 22 HIS . 1996 1 23 23 GLY . 1996 1 24 24 LYS . 1996 1 25 25 THR . 1996 1 26 26 THR . 1996 1 27 27 LEU . 1996 1 28 28 THR . 1996 1 29 29 ALA . 1996 1 30 30 ALA . 1996 1 31 31 ILE . 1996 1 32 32 THR . 1996 1 33 33 THR . 1996 1 34 34 VAL . 1996 1 35 35 LEU . 1996 1 36 36 ALA . 1996 1 37 37 LYS . 1996 1 38 38 THR . 1996 1 39 39 TYR . 1996 1 40 40 GLY . 1996 1 41 41 GLY . 1996 1 42 42 ALA . 1996 1 43 43 ALA . 1996 1 44 44 ARG . 1996 1 45 45 ALA . 1996 1 46 46 PHE . 1996 1 47 47 ASP . 1996 1 48 48 GLN . 1996 1 49 49 ILE . 1996 1 50 50 ASP . 1996 1 51 51 ASN . 1996 1 52 52 ALA . 1996 1 53 53 PRO . 1996 1 54 54 GLU . 1996 1 55 55 GLU . 1996 1 56 56 LYS . 1996 1 57 57 ALA . 1996 1 58 58 ARG . 1996 1 59 59 GLY . 1996 1 60 60 ILE . 1996 1 61 61 THR . 1996 1 62 62 ILE . 1996 1 63 63 ASN . 1996 1 64 64 THR . 1996 1 65 65 SER . 1996 1 66 66 HIS . 1996 1 67 67 VAL . 1996 1 68 68 GLU . 1996 1 69 69 TYR . 1996 1 70 70 ASP . 1996 1 71 71 THR . 1996 1 72 72 PRO . 1996 1 73 73 THR . 1996 1 74 74 ARG . 1996 1 75 75 HIS . 1996 1 76 76 TYR . 1996 1 77 77 ALA . 1996 1 78 78 HIS . 1996 1 79 79 VAL . 1996 1 80 80 ASP . 1996 1 81 81 CYS . 1996 1 82 82 PRO . 1996 1 83 83 GLY . 1996 1 84 84 GLY . 1996 1 85 85 ALA . 1996 1 86 86 ASP . 1996 1 87 87 TYR . 1996 1 88 88 VAL . 1996 1 89 89 LYS . 1996 1 90 90 ASN . 1996 1 91 91 MET . 1996 1 92 92 ILE . 1996 1 93 93 THR . 1996 1 94 94 GLY . 1996 1 95 95 ALA . 1996 1 96 96 ALA . 1996 1 97 97 GLN . 1996 1 98 98 MET . 1996 1 99 99 ASP . 1996 1 100 100 GLY . 1996 1 101 101 ALA . 1996 1 102 102 ILE . 1996 1 103 103 LEU . 1996 1 104 104 VAL . 1996 1 105 105 VAL . 1996 1 106 106 ALA . 1996 1 107 107 ALA . 1996 1 108 108 THR . 1996 1 109 109 ASP . 1996 1 110 110 GLY . 1996 1 111 111 PRO . 1996 1 112 112 MET . 1996 1 113 113 PRO . 1996 1 114 114 GLN . 1996 1 115 115 THR . 1996 1 116 116 ARG . 1996 1 117 117 GLU . 1996 1 118 118 HIS . 1996 1 119 119 ILE . 1996 1 120 120 LEU . 1996 1 121 121 LEU . 1996 1 122 122 GLY . 1996 1 123 123 ARG . 1996 1 124 124 GLN . 1996 1 125 125 VAL . 1996 1 126 126 GLY . 1996 1 127 127 VAL . 1996 1 128 128 PRO . 1996 1 129 129 TYR . 1996 1 130 130 ILE . 1996 1 131 131 ILE . 1996 1 132 132 VAL . 1996 1 133 133 PHE . 1996 1 134 134 LEU . 1996 1 135 135 ASN . 1996 1 136 136 LYS . 1996 1 137 137 CYS . 1996 1 138 138 ASP . 1996 1 139 139 MET . 1996 1 140 140 VAL . 1996 1 141 141 ASP . 1996 1 142 142 ASP . 1996 1 143 143 GLU . 1996 1 144 144 GLU . 1996 1 145 145 LEU . 1996 1 146 146 LEU . 1996 1 147 147 GLU . 1996 1 148 148 LEU . 1996 1 149 149 VAL . 1996 1 150 150 GLU . 1996 1 151 151 MET . 1996 1 152 152 GLU . 1996 1 153 153 VAL . 1996 1 154 154 ARG . 1996 1 155 155 GLU . 1996 1 156 156 LEU . 1996 1 157 157 LEU . 1996 1 158 158 SER . 1996 1 159 159 GLN . 1996 1 160 160 TYR . 1996 1 161 161 ASP . 1996 1 162 162 PHE . 1996 1 163 163 PRO . 1996 1 164 164 GLY . 1996 1 165 165 ASP . 1996 1 166 166 ASP . 1996 1 167 167 THR . 1996 1 168 168 PRO . 1996 1 169 169 ILE . 1996 1 170 170 VAL . 1996 1 171 171 ARG . 1996 1 172 172 GLY . 1996 1 173 173 SER . 1996 1 174 174 ALA . 1996 1 175 175 LEU . 1996 1 176 176 LYS . 1996 1 177 177 ALA . 1996 1 178 178 LEU . 1996 1 179 179 GLU . 1996 1 180 180 GLY . 1996 1 181 181 ASP . 1996 1 182 182 ALA . 1996 1 183 183 GLU . 1996 1 184 184 TRP . 1996 1 185 185 GLU . 1996 1 186 186 ALA . 1996 1 187 187 LYS . 1996 1 188 188 ILE . 1996 1 189 189 LEU . 1996 1 190 190 GLU . 1996 1 191 191 LEU . 1996 1 192 192 ALA . 1996 1 193 193 GLY . 1996 1 194 194 PHE . 1996 1 195 195 LEU . 1996 1 196 196 ASP . 1996 1 197 197 SER . 1996 1 198 198 TYR . 1996 1 199 199 ILE . 1996 1 200 200 PRO . 1996 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 1996 1 . LYS 2 2 1996 1 . GLU 3 3 1996 1 . LYS 4 4 1996 1 . PHE 5 5 1996 1 . GLU 6 6 1996 1 . ARG 7 7 1996 1 . THR 8 8 1996 1 . LYS 9 9 1996 1 . PRO 10 10 1996 1 . HIS 11 11 1996 1 . VAL 12 12 1996 1 . ASN 13 13 1996 1 . VAL 14 14 1996 1 . GLY 15 15 1996 1 . THR 16 16 1996 1 . ILE 17 17 1996 1 . GLY 18 18 1996 1 . HIS 19 19 1996 1 . VAL 20 20 1996 1 . ASP 21 21 1996 1 . HIS 22 22 1996 1 . GLY 23 23 1996 1 . LYS 24 24 1996 1 . THR 25 25 1996 1 . THR 26 26 1996 1 . LEU 27 27 1996 1 . THR 28 28 1996 1 . ALA 29 29 1996 1 . ALA 30 30 1996 1 . ILE 31 31 1996 1 . THR 32 32 1996 1 . THR 33 33 1996 1 . VAL 34 34 1996 1 . LEU 35 35 1996 1 . ALA 36 36 1996 1 . LYS 37 37 1996 1 . THR 38 38 1996 1 . TYR 39 39 1996 1 . GLY 40 40 1996 1 . GLY 41 41 1996 1 . ALA 42 42 1996 1 . ALA 43 43 1996 1 . ARG 44 44 1996 1 . ALA 45 45 1996 1 . PHE 46 46 1996 1 . ASP 47 47 1996 1 . GLN 48 48 1996 1 . ILE 49 49 1996 1 . ASP 50 50 1996 1 . ASN 51 51 1996 1 . ALA 52 52 1996 1 . PRO 53 53 1996 1 . GLU 54 54 1996 1 . GLU 55 55 1996 1 . LYS 56 56 1996 1 . ALA 57 57 1996 1 . ARG 58 58 1996 1 . GLY 59 59 1996 1 . ILE 60 60 1996 1 . THR 61 61 1996 1 . ILE 62 62 1996 1 . ASN 63 63 1996 1 . THR 64 64 1996 1 . SER 65 65 1996 1 . HIS 66 66 1996 1 . VAL 67 67 1996 1 . GLU 68 68 1996 1 . TYR 69 69 1996 1 . ASP 70 70 1996 1 . THR 71 71 1996 1 . PRO 72 72 1996 1 . THR 73 73 1996 1 . ARG 74 74 1996 1 . HIS 75 75 1996 1 . TYR 76 76 1996 1 . ALA 77 77 1996 1 . HIS 78 78 1996 1 . VAL 79 79 1996 1 . ASP 80 80 1996 1 . CYS 81 81 1996 1 . PRO 82 82 1996 1 . GLY 83 83 1996 1 . GLY 84 84 1996 1 . ALA 85 85 1996 1 . ASP 86 86 1996 1 . TYR 87 87 1996 1 . VAL 88 88 1996 1 . LYS 89 89 1996 1 . ASN 90 90 1996 1 . MET 91 91 1996 1 . ILE 92 92 1996 1 . THR 93 93 1996 1 . GLY 94 94 1996 1 . ALA 95 95 1996 1 . ALA 96 96 1996 1 . GLN 97 97 1996 1 . MET 98 98 1996 1 . ASP 99 99 1996 1 . GLY 100 100 1996 1 . ALA 101 101 1996 1 . ILE 102 102 1996 1 . LEU 103 103 1996 1 . VAL 104 104 1996 1 . VAL 105 105 1996 1 . ALA 106 106 1996 1 . ALA 107 107 1996 1 . THR 108 108 1996 1 . ASP 109 109 1996 1 . GLY 110 110 1996 1 . PRO 111 111 1996 1 . MET 112 112 1996 1 . PRO 113 113 1996 1 . GLN 114 114 1996 1 . THR 115 115 1996 1 . ARG 116 116 1996 1 . GLU 117 117 1996 1 . HIS 118 118 1996 1 . ILE 119 119 1996 1 . LEU 120 120 1996 1 . LEU 121 121 1996 1 . GLY 122 122 1996 1 . ARG 123 123 1996 1 . GLN 124 124 1996 1 . VAL 125 125 1996 1 . GLY 126 126 1996 1 . VAL 127 127 1996 1 . PRO 128 128 1996 1 . TYR 129 129 1996 1 . ILE 130 130 1996 1 . ILE 131 131 1996 1 . VAL 132 132 1996 1 . PHE 133 133 1996 1 . LEU 134 134 1996 1 . ASN 135 135 1996 1 . LYS 136 136 1996 1 . CYS 137 137 1996 1 . ASP 138 138 1996 1 . MET 139 139 1996 1 . VAL 140 140 1996 1 . ASP 141 141 1996 1 . ASP 142 142 1996 1 . GLU 143 143 1996 1 . GLU 144 144 1996 1 . LEU 145 145 1996 1 . LEU 146 146 1996 1 . GLU 147 147 1996 1 . LEU 148 148 1996 1 . VAL 149 149 1996 1 . GLU 150 150 1996 1 . MET 151 151 1996 1 . GLU 152 152 1996 1 . VAL 153 153 1996 1 . ARG 154 154 1996 1 . GLU 155 155 1996 1 . LEU 156 156 1996 1 . LEU 157 157 1996 1 . SER 158 158 1996 1 . GLN 159 159 1996 1 . TYR 160 160 1996 1 . ASP 161 161 1996 1 . PHE 162 162 1996 1 . PRO 163 163 1996 1 . GLY 164 164 1996 1 . ASP 165 165 1996 1 . ASP 166 166 1996 1 . THR 167 167 1996 1 . PRO 168 168 1996 1 . ILE 169 169 1996 1 . VAL 170 170 1996 1 . ARG 171 171 1996 1 . GLY 172 172 1996 1 . SER 173 173 1996 1 . ALA 174 174 1996 1 . LEU 175 175 1996 1 . LYS 176 176 1996 1 . ALA 177 177 1996 1 . LEU 178 178 1996 1 . GLU 179 179 1996 1 . GLY 180 180 1996 1 . ASP 181 181 1996 1 . ALA 182 182 1996 1 . GLU 183 183 1996 1 . TRP 184 184 1996 1 . GLU 185 185 1996 1 . ALA 186 186 1996 1 . LYS 187 187 1996 1 . ILE 188 188 1996 1 . LEU 189 189 1996 1 . GLU 190 190 1996 1 . LEU 191 191 1996 1 . ALA 192 192 1996 1 . GLY 193 193 1996 1 . PHE 194 194 1996 1 . LEU 195 195 1996 1 . ASP 196 196 1996 1 . SER 197 197 1996 1 . TYR 198 198 1996 1 . ILE 199 199 1996 1 . PRO 200 200 1996 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 1996 _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 . . . . . . . . . . . . . . . . . . . . 1996 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 1996 _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 . . . . . . . . . . . . . . . . . . . . . . 1996 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1996 _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 1996 _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 1996 1 temperature 290 . K 1996 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 1996 _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 1996 _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' . . 1996 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 1996 _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 . . . . . . . . . . . . . . . . 1996 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 1996 _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 1996 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1996 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 1996 _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 . 1996 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 6.9 . . 1 . . . . . . . . 1996 1 2 . 1 1 18 18 GLY N N 15 106.1 . . 1 . . . . . . . . 1996 1 3 . 1 1 23 23 GLY H H 1 9.09 . . 1 . . . . . . . . 1996 1 4 . 1 1 23 23 GLY N N 15 109.1 . . 1 . . . . . . . . 1996 1 5 . 1 1 24 24 LYS H H 1 11.07 . . 1 . . . . . . . . 1996 1 6 . 1 1 24 24 LYS N N 15 126.8 . . 1 . . . . . . . . 1996 1 7 . 1 1 83 83 GLY H H 1 11.57 . . 1 . . . . . . . . 1996 1 8 . 1 1 83 83 GLY N N 15 114.6 . . 1 . . . . . . . . 1996 1 stop_ save_