data_4584 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4584 _Entry.Title ; Solution Structure of the DNA-binding Domain of TraM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-05 _Entry.Accession_date 2000-09-07 _Entry.Last_release_date 2001-05-02 _Entry.Original_release_date 2001-05-02 _Entry.Origination author _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 T. Stockner . . . 4584 2 C. Plugariu . . . 4584 3 G. Koraimann . . . 4584 4 G. Hoegenauer . . . 4584 5 W. Bermel . . . 4584 6 S. Prytulla . . . 4584 7 H. Sterk . . . 4584 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4584 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 399 4584 '15N chemical shifts' 62 4584 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 1 . . 2001-05-02 2000-05-05 original author . 4584 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4584 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21159140 _Citation.DOI . _Citation.PubMed_ID 11258958 _Citation.Full_citation . _Citation.Title 'Solution Structure of the DNA-binding Domain of TraM' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 40 _Citation.Journal_issue . _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 3370 _Citation.Page_last 3377 _Citation.Year 2001 _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 T. Stockner . . . 4584 1 2 C. Plugariu . . . 4584 1 3 G. Koraimann . . . 4584 1 4 G. Hoegenauer . . . 4584 1 5 W. Bermel . . . 4584 1 6 S. Prytulla . . . 4584 1 7 H. Sterk . . . 4584 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID helix-loop-helix 4584 1 stop_ save_ save_ref_XPLOR_upto_v3.8 _Citation.Sf_category citations _Citation.Sf_framecode ref_XPLOR_upto_v3.8 _Citation.Entry_ID 4584 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'X-PLOR, version 3.1: A system for X-ray crystallography and NMR' _Citation.Status published _Citation.Type book _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title 'X-PLOR, version 3.1: A system for X-ray crystallography and NMR' _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher 'Yale University Press' _Citation.Book_publisher_city 'New Haven' _Citation.Book_ISBN 0300054025 _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 . _Citation.Page_last . _Citation.Year 1992 _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 Axel Brunger . T. . 4584 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'structure calculation' 4584 2 'structure analysis' 4584 2 software 4584 2 stop_ save_ save_ref_NMRPipe _Citation.Sf_category citations _Citation.Sf_framecode ref_NMRPipe _Citation.Entry_ID 4584 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96088118 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 3 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _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 F. Delaglio . . . 4584 3 2 S. Grzesiek . . . 4584 3 3 G. Vuister . W. . 4584 3 4 G. Zhu . . . 4584 3 5 J. Pfeifer . . . 4584 3 6 A. Bax . . . 4584 3 stop_ save_ save_ref_MOLMOL _Citation.Sf_category citations _Citation.Sf_framecode ref_MOLMOL _Citation.Entry_ID 4584 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96305672 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Koradi R, Billeter M, Wuthrich K. MOLMOL: a program for display and analysis of macromolecular structures. J Mol Graph. 1996 Feb;14(1):51-5, 29-32. ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J Mol Graph.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _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 51 _Citation.Page_last 55 _Citation.Year 1996 _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 R. Koradi . . . 4584 4 2 M. Billeter . . . 4584 4 3 K. Wuthrich . . . 4584 4 stop_ save_ save_ref_ANSIG _Citation.Sf_category citations _Citation.Sf_framecode ref_ANSIG _Citation.Entry_ID 4584 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 94190870 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kraulis PJ, Domaille PJ, Campbell-Burk SL, Van Aken T, Laue ED. Solution structure and dynamics of ras p21.GDP determined by heteronuclear three- and four-dimensional NMR spectroscopy. Biochemistry. 1994 Mar 29;33(12):3515-31. ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 12 _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 3515 _Citation.Page_last 3531 _Citation.Year 1994 _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 P. Kraulis . J. . 4584 5 2 P. Domaille . J. . 4584 5 3 S. Campbell-Burk . L. . 4584 5 4 T. 'Van Aken' . . . 4584 5 5 E. Laue . D. . 4584 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TRAM _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TRAM _Assembly.Entry_ID 4584 _Assembly.ID 1 _Assembly.Name 'DNA BINDING DOMAIN OF THE TRAM PROTEIN' _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 no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4584 1 stop_ 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 'R1 PLASMID TRAM PROTEIN' 1 $TRAM . . . native . . . . . 4584 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1DP3 . . . . . . 4584 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA BINDING DOMAIN OF THE TRAM PROTEIN' system 4584 1 'DNA BINDING DOMAIN OF THE TRAM PROTEIN' abbreviation 4584 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRAM _Entity.Sf_category entity _Entity.Sf_framecode TRAM _Entity.Entry_ID 4584 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'R1 PLASMID TRAM PROTEIN' _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 . _Entity.Polymer_seq_one_letter_code ; AKVQAYVSDEIVYKINKIVE RRRAEGAKSTDVSFSSISTM LLELGLRVYEAQMER ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-24 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 PDB 1DP3 . "Solution Structure Of The Dna Binding Domain Of The Tram Protein" . . . . . 100.00 55 100.00 100.00 3.31e-29 . . . . 4584 1 2 no DBJ BAI57888 . "TraM protein [Escherichia coli SE15]" . . . . . 100.00 127 98.18 100.00 2.68e-28 . . . . 4584 1 3 no EMBL CAQ87481 . "Conjugal transfer protein [Escherichia coli UMN026]" . . . . . 100.00 127 98.18 100.00 2.68e-28 . . . . 4584 1 4 no EMBL CAU95771 . "Protein traM [Escherichia coli 55989]" . . . . . 100.00 127 98.18 98.18 3.95e-28 . . . . 4584 1 5 no EMBL CBG27852 . "conjugative transfer protein [Escherichia coli 042]" . . . . . 100.00 127 100.00 100.00 8.18e-29 . . . . 4584 1 6 no EMBL CBJ04497 . "TraM protein [Escherichia coli ETEC H10407]" . . . . . 100.00 127 98.18 100.00 3.82e-28 . . . . 4584 1 7 no EMBL CCA64277 . "conjugal transfer protein TraM [Escherichia coli]" . . . . . 100.00 127 100.00 100.00 8.18e-29 . . . . 4584 1 8 no GB AAA92656 . "TraM, partial [Plasmid R1-19]" . . . . . 100.00 126 100.00 100.00 8.23e-29 . . . . 4584 1 9 no GB ABE10679 . "tra operon transcriptional repressor [Escherichia coli UTI89]" . . . . . 100.00 127 98.18 100.00 2.68e-28 . . . . 4584 1 10 no GB ACQ42006 . "TraM [Escherichia coli]" . . . . . 100.00 127 100.00 100.00 8.18e-29 . . . . 4584 1 11 no GB ACU68816 . "IncF plasmid conjugative transfer mating signal transduction protein TraM [Escherichia coli]" . . . . . 100.00 127 98.18 100.00 2.68e-28 . . . . 4584 1 12 no GB ADL14025 . "TraM [Escherichia coli]" . . . . . 100.00 127 100.00 100.00 8.18e-29 . . . . 4584 1 13 no PRF 1110195A . "gene traM" . . . . . 100.00 127 100.00 100.00 8.18e-29 . . . . 4584 1 14 no REF WP_001151555 . "conjugal transfer protein TraM [Escherichia coli]" . . . . . 100.00 127 98.18 100.00 3.91e-28 . . . . 4584 1 15 no REF WP_001151556 . "conjugal transfer protein TraM [Escherichia coli]" . . . . . 100.00 127 98.18 100.00 3.82e-28 . . . . 4584 1 16 no REF WP_001151557 . "conjugal transfer protein TraM [Escherichia coli]" . . . . . 100.00 127 98.18 100.00 4.03e-28 . . . . 4584 1 17 no REF WP_001151559 . "conjugal transfer protein TraM [Escherichia coli]" . . . . . 100.00 128 98.18 100.00 4.92e-28 . . . . 4584 1 18 no REF WP_001151560 . "conjugal transfer protein TraM [Escherichia coli]" . . . . . 100.00 127 98.18 100.00 3.99e-28 . . . . 4584 1 19 no SP P07294 . "RecName: Full=Relaxosome protein TraM" . . . . . 100.00 127 100.00 100.00 8.18e-29 . . . . 4584 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'R1 PLASMID TRAM PROTEIN' common 4584 1 'DNA BINDING DOMAIN OF THE TRAM PROTEIN' abbreviation 4584 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 2 ALA . 4584 1 2 3 LYS . 4584 1 3 4 VAL . 4584 1 4 5 GLN . 4584 1 5 6 ALA . 4584 1 6 7 TYR . 4584 1 7 8 VAL . 4584 1 8 9 SER . 4584 1 9 10 ASP . 4584 1 10 11 GLU . 4584 1 11 12 ILE . 4584 1 12 13 VAL . 4584 1 13 14 TYR . 4584 1 14 15 LYS . 4584 1 15 16 ILE . 4584 1 16 17 ASN . 4584 1 17 18 LYS . 4584 1 18 19 ILE . 4584 1 19 20 VAL . 4584 1 20 21 GLU . 4584 1 21 22 ARG . 4584 1 22 23 ARG . 4584 1 23 24 ARG . 4584 1 24 25 ALA . 4584 1 25 26 GLU . 4584 1 26 27 GLY . 4584 1 27 28 ALA . 4584 1 28 29 LYS . 4584 1 29 30 SER . 4584 1 30 31 THR . 4584 1 31 32 ASP . 4584 1 32 33 VAL . 4584 1 33 34 SER . 4584 1 34 35 PHE . 4584 1 35 36 SER . 4584 1 36 37 SER . 4584 1 37 38 ILE . 4584 1 38 39 SER . 4584 1 39 40 THR . 4584 1 40 41 MET . 4584 1 41 42 LEU . 4584 1 42 43 LEU . 4584 1 43 44 GLU . 4584 1 44 45 LEU . 4584 1 45 46 GLY . 4584 1 46 47 LEU . 4584 1 47 48 ARG . 4584 1 48 49 VAL . 4584 1 49 50 TYR . 4584 1 50 51 GLU . 4584 1 51 52 ALA . 4584 1 52 53 GLN . 4584 1 53 54 MET . 4584 1 54 55 GLU . 4584 1 55 56 ARG . 4584 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 . ALA 1 1 4584 1 . LYS 2 2 4584 1 . VAL 3 3 4584 1 . GLN 4 4 4584 1 . ALA 5 5 4584 1 . TYR 6 6 4584 1 . VAL 7 7 4584 1 . SER 8 8 4584 1 . ASP 9 9 4584 1 . GLU 10 10 4584 1 . ILE 11 11 4584 1 . VAL 12 12 4584 1 . TYR 13 13 4584 1 . LYS 14 14 4584 1 . ILE 15 15 4584 1 . ASN 16 16 4584 1 . LYS 17 17 4584 1 . ILE 18 18 4584 1 . VAL 19 19 4584 1 . GLU 20 20 4584 1 . ARG 21 21 4584 1 . ARG 22 22 4584 1 . ARG 23 23 4584 1 . ALA 24 24 4584 1 . GLU 25 25 4584 1 . GLY 26 26 4584 1 . ALA 27 27 4584 1 . LYS 28 28 4584 1 . SER 29 29 4584 1 . THR 30 30 4584 1 . ASP 31 31 4584 1 . VAL 32 32 4584 1 . SER 33 33 4584 1 . PHE 34 34 4584 1 . SER 35 35 4584 1 . SER 36 36 4584 1 . ILE 37 37 4584 1 . SER 38 38 4584 1 . THR 39 39 4584 1 . MET 40 40 4584 1 . LEU 41 41 4584 1 . LEU 42 42 4584 1 . GLU 43 43 4584 1 . LEU 44 44 4584 1 . GLY 45 45 4584 1 . LEU 46 46 4584 1 . ARG 47 47 4584 1 . VAL 48 48 4584 1 . TYR 49 49 4584 1 . GLU 50 50 4584 1 . ALA 51 51 4584 1 . GLN 52 52 4584 1 . MET 53 53 4584 1 . GLU 54 54 4584 1 . ARG 55 55 4584 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 4584 _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 $TRAM . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4584 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 4584 _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 $TRAM . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli . . . . . . . . . . . . . . . . pET28a(+) . . . . . . 4584 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4584 _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'R1 PLASMID TRAM PROTEIN' . . . 1 $TRAM . . 4 . . mg/ml . . . . 4584 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 4584 1 3 H2O . . . . . . . 95 . . % . . . . 4584 1 4 D2O . . . . . . . 5 . . % . . . . 4584 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4584 _Sample.ID 2 _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'R1 PLASMID TRAM PROTEIN' [U-15N] . . 1 $TRAM . . 1.3 . . mg/ml . . . . 4584 2 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 4584 2 3 H2O . . . . . . . 95 . . % . . . . 4584 2 4 D2O . . . . . . . 5 . . % . . . . 4584 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4584 _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 4.0 . n/a 4584 1 temperature 300 . K 4584 1 'ionic strength' 50 . mM 4584 1 pressure 1 . atm 4584 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4584 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.5 _Software.Details 'Bruker Analytical GmbH' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4584 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4584 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4584 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_NMRPipe 4584 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 4584 _Software.ID 3 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4584 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $ref_ANSIG 4584 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4584 _Software.ID 4 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4584 4 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_XPLOR_upto_v3.8 4584 4 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 4584 _Software.ID 5 _Software.Name MOLMOL _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4584 5 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref_MOLMOL 4584 5 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4584 _Software.ID 6 _Software.Name VNMR _Software.Version 5.2 _Software.Details 'Varian Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4584 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4584 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4584 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 4584 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4584 _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 NMR_spectrometer1 Varian UnityInova . 600 . . . 4584 1 2 NMR_spectrometer2 Bruker Avance . 600 . . . 4584 1 3 NMR_spectrometer3 Bruker Avance . 800 . . . 4584 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 4584 _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 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4584 1 2 3D-15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4584 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4584 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4584 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4584 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D-15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4584 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 4584 _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 1 . . . . . . . . . . . . . . . . . . . . 4584 1 N 15 . . . . . . . . . . . . . . . . . . . . 4584 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4584 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_1 _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 '2D NOESY' . . . 4584 1 2 3D-15N-NOESY-HSQC . . . 4584 1 3 HNHA . . . 4584 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 1 1 ALA HB1 H 1 1.38 . . . . . . . . . . . 4584 1 2 . 1 1 1 1 ALA HB2 H 1 1.38 . . . . . . . . . . . 4584 1 3 . 1 1 1 1 ALA HB3 H 1 1.38 . . . . . . . . . . . 4584 1 4 . 1 1 1 1 ALA HA H 1 4.05 . . . . . . . . . . . 4584 1 5 . 1 1 2 2 LYS HB3 H 1 1.46 . . . . . . . . . . . 4584 1 6 . 1 1 2 2 LYS H H 1 8.56 . . . . . . . . . . . 4584 1 7 . 1 1 2 2 LYS HE2 H 1 2.75 . . . . . . . . . . . 4584 1 8 . 1 1 2 2 LYS HE3 H 1 2.75 . . . . . . . . . . . 4584 1 9 . 1 1 2 2 LYS HD2 H 1 1.47 . . . . . . . . . . . 4584 1 10 . 1 1 2 2 LYS HD3 H 1 1.47 . . . . . . . . . . . 4584 1 11 . 1 1 2 2 LYS HG2 H 1 0.92 . . . . . . . . . . . 4584 1 12 . 1 1 2 2 LYS HG3 H 1 0.92 . . . . . . . . . . . 4584 1 13 . 1 1 2 2 LYS HB2 H 1 1.55 . . . . . . . . . . . 4584 1 14 . 1 1 2 2 LYS HA H 1 4.69 . . . . . . . . . . . 4584 1 15 . 1 1 2 2 LYS N N 15 121.73 . . . . . . . . . . . 4584 1 16 . 1 1 3 3 VAL HB H 1 1.87 . . . . . . . . . . . 4584 1 17 . 1 1 3 3 VAL H H 1 8.86 . . . . . . . . . . . 4584 1 18 . 1 1 3 3 VAL HG11 H 1 0.73 . . . . . . . . . . . 4584 1 19 . 1 1 3 3 VAL HG12 H 1 0.73 . . . . . . . . . . . 4584 1 20 . 1 1 3 3 VAL HG13 H 1 0.73 . . . . . . . . . . . 4584 1 21 . 1 1 3 3 VAL HG21 H 1 0.73 . . . . . . . . . . . 4584 1 22 . 1 1 3 3 VAL HG22 H 1 0.73 . . . . . . . . . . . 4584 1 23 . 1 1 3 3 VAL HG23 H 1 0.73 . . . . . . . . . . . 4584 1 24 . 1 1 3 3 VAL HA H 1 4.34 . . . . . . . . . . . 4584 1 25 . 1 1 3 3 VAL N N 15 123.81 . . . . . . . . . . . 4584 1 26 . 1 1 4 4 GLN HB3 H 1 1.71 . . . . . . . . . . . 4584 1 27 . 1 1 4 4 GLN H H 1 8.04 . . . . . . . . . . . 4584 1 28 . 1 1 4 4 GLN HB2 H 1 1.79 . . . . . . . . . . . 4584 1 29 . 1 1 4 4 GLN HG2 H 1 2.05 . . . . . . . . . . . 4584 1 30 . 1 1 4 4 GLN HG3 H 1 2.00 . . . . . . . . . . . 4584 1 31 . 1 1 4 4 GLN HA H 1 5.21 . . . . . . . . . . . 4584 1 32 . 1 1 4 4 GLN HE21 H 1 6.81 . . . . . . . . . . . 4584 1 33 . 1 1 4 4 GLN HE22 H 1 7.30 . . . . . . . . . . . 4584 1 34 . 1 1 4 4 GLN N N 15 122.05 . . . . . . . . . . . 4584 1 35 . 1 1 4 4 GLN NE2 N 15 111.17 . . . . . . . . . . . 4584 1 36 . 1 1 5 5 ALA HB1 H 1 1.04 . . . . . . . . . . . 4584 1 37 . 1 1 5 5 ALA HB2 H 1 1.04 . . . . . . . . . . . 4584 1 38 . 1 1 5 5 ALA HB3 H 1 1.04 . . . . . . . . . . . 4584 1 39 . 1 1 5 5 ALA H H 1 8.52 . . . . . . . . . . . 4584 1 40 . 1 1 5 5 ALA HA H 1 4.53 . . . . . . . . . . . 4584 1 41 . 1 1 5 5 ALA N N 15 125.21 . . . . . . . . . . . 4584 1 42 . 1 1 6 6 TYR HB3 H 1 2.70 . . . . . . . . . . . 4584 1 43 . 1 1 6 6 TYR HB2 H 1 2.76 . . . . . . . . . . . 4584 1 44 . 1 1 6 6 TYR H H 1 8.33 . . . . . . . . . . . 4584 1 45 . 1 1 6 6 TYR HA H 1 5.17 . . . . . . . . . . . 4584 1 46 . 1 1 6 6 TYR HE1 H 1 6.68 . . . . . . . . . . . 4584 1 47 . 1 1 6 6 TYR HE2 H 1 6.68 . . . . . . . . . . . 4584 1 48 . 1 1 6 6 TYR HD1 H 1 6.90 . . . . . . . . . . . 4584 1 49 . 1 1 6 6 TYR HD2 H 1 6.90 . . . . . . . . . . . 4584 1 50 . 1 1 6 6 TYR N N 15 121.67 . . . . . . . . . . . 4584 1 51 . 1 1 7 7 VAL HB H 1 2.11 . . . . . . . . . . . 4584 1 52 . 1 1 7 7 VAL HG21 H 1 0.83 . . . . . . . . . . . 4584 1 53 . 1 1 7 7 VAL HG22 H 1 0.83 . . . . . . . . . . . 4584 1 54 . 1 1 7 7 VAL HG23 H 1 0.83 . . . . . . . . . . . 4584 1 55 . 1 1 7 7 VAL H H 1 8.68 . . . . . . . . . . . 4584 1 56 . 1 1 7 7 VAL HG11 H 1 0.73 . . . . . . . . . . . 4584 1 57 . 1 1 7 7 VAL HG12 H 1 0.73 . . . . . . . . . . . 4584 1 58 . 1 1 7 7 VAL HG13 H 1 0.73 . . . . . . . . . . . 4584 1 59 . 1 1 7 7 VAL HA H 1 4.81 . . . . . . . . . . . 4584 1 60 . 1 1 7 7 VAL N N 15 115.93 . . . . . . . . . . . 4584 1 61 . 1 1 8 8 SER HB3 H 1 3.97 . . . . . . . . . . . 4584 1 62 . 1 1 8 8 SER HB2 H 1 4.25 . . . . . . . . . . . 4584 1 63 . 1 1 8 8 SER H H 1 8.09 . . . . . . . . . . . 4584 1 64 . 1 1 8 8 SER HA H 1 4.47 . . . . . . . . . . . 4584 1 65 . 1 1 8 8 SER N N 15 116.64 . . . . . . . . . . . 4584 1 66 . 1 1 9 9 ASP HB3 H 1 2.49 . . . . . . . . . . . 4584 1 67 . 1 1 9 9 ASP HB2 H 1 2.57 . . . . . . . . . . . 4584 1 68 . 1 1 9 9 ASP H H 1 8.65 . . . . . . . . . . . 4584 1 69 . 1 1 9 9 ASP HA H 1 4.17 . . . . . . . . . . . 4584 1 70 . 1 1 9 9 ASP N N 15 121.62 . . . . . . . . . . . 4584 1 71 . 1 1 10 10 GLU HB3 H 1 1.90 . . . . . . . . . . . 4584 1 72 . 1 1 10 10 GLU H H 1 8.46 . . . . . . . . . . . 4584 1 73 . 1 1 10 10 GLU HG2 H 1 2.25 . . . . . . . . . . . 4584 1 74 . 1 1 10 10 GLU HG3 H 1 2.20 . . . . . . . . . . . 4584 1 75 . 1 1 10 10 GLU HA H 1 4.06 . . . . . . . . . . . 4584 1 76 . 1 1 10 10 GLU HB2 H 1 2.02 . . . . . . . . . . . 4584 1 77 . 1 1 10 10 GLU N N 15 119.43 . . . . . . . . . . . 4584 1 78 . 1 1 11 11 ILE HB H 1 2.13 . . . . . . . . . . . 4584 1 79 . 1 1 11 11 ILE HA H 1 3.61 . . . . . . . . . . . 4584 1 80 . 1 1 11 11 ILE HD11 H 1 0.79 . . . . . . . . . . . 4584 1 81 . 1 1 11 11 ILE HD12 H 1 0.79 . . . . . . . . . . . 4584 1 82 . 1 1 11 11 ILE HD13 H 1 0.79 . . . . . . . . . . . 4584 1 83 . 1 1 11 11 ILE H H 1 7.43 . . . . . . . . . . . 4584 1 84 . 1 1 11 11 ILE HG21 H 1 0.74 . . . . . . . . . . . 4584 1 85 . 1 1 11 11 ILE HG22 H 1 0.74 . . . . . . . . . . . 4584 1 86 . 1 1 11 11 ILE HG23 H 1 0.74 . . . . . . . . . . . 4584 1 87 . 1 1 11 11 ILE HG12 H 1 1.55 . . . . . . . . . . . 4584 1 88 . 1 1 11 11 ILE HG13 H 1 1.30 . . . . . . . . . . . 4584 1 89 . 1 1 11 11 ILE N N 15 120.37 . . . . . . . . . . . 4584 1 90 . 1 1 12 12 VAL HB H 1 2.14 . . . . . . . . . . . 4584 1 91 . 1 1 12 12 VAL H H 1 7.47 . . . . . . . . . . . 4584 1 92 . 1 1 12 12 VAL HA H 1 3.52 . . . . . . . . . . . 4584 1 93 . 1 1 12 12 VAL HG11 H 1 0.87 . . . . . . . . . . . 4584 1 94 . 1 1 12 12 VAL HG12 H 1 0.87 . . . . . . . . . . . 4584 1 95 . 1 1 12 12 VAL HG13 H 1 0.87 . . . . . . . . . . . 4584 1 96 . 1 1 12 12 VAL HG21 H 1 0.87 . . . . . . . . . . . 4584 1 97 . 1 1 12 12 VAL HG22 H 1 0.87 . . . . . . . . . . . 4584 1 98 . 1 1 12 12 VAL HG23 H 1 0.87 . . . . . . . . . . . 4584 1 99 . 1 1 12 12 VAL N N 15 119.77 . . . . . . . . . . . 4584 1 100 . 1 1 13 13 TYR HB3 H 1 3.12 . . . . . . . . . . . 4584 1 101 . 1 1 13 13 TYR H H 1 7.91 . . . . . . . . . . . 4584 1 102 . 1 1 13 13 TYR HB2 H 1 3.19 . . . . . . . . . . . 4584 1 103 . 1 1 13 13 TYR HA H 1 4.24 . . . . . . . . . . . 4584 1 104 . 1 1 13 13 TYR HE1 H 1 6.76 . . . . . . . . . . . 4584 1 105 . 1 1 13 13 TYR HE2 H 1 6.76 . . . . . . . . . . . 4584 1 106 . 1 1 13 13 TYR HD1 H 1 7.06 . . . . . . . . . . . 4584 1 107 . 1 1 13 13 TYR HD2 H 1 7.06 . . . . . . . . . . . 4584 1 108 . 1 1 13 13 TYR N N 15 119.14 . . . . . . . . . . . 4584 1 109 . 1 1 14 14 LYS HG2 H 1 1.73 . . . . . . . . . . . 4584 1 110 . 1 1 14 14 LYS HG3 H 1 1.73 . . . . . . . . . . . 4584 1 111 . 1 1 14 14 LYS HD2 H 1 1.89 . . . . . . . . . . . 4584 1 112 . 1 1 14 14 LYS HD3 H 1 1.89 . . . . . . . . . . . 4584 1 113 . 1 1 14 14 LYS HE2 H 1 2.94 . . . . . . . . . . . 4584 1 114 . 1 1 14 14 LYS HE3 H 1 2.94 . . . . . . . . . . . 4584 1 115 . 1 1 14 14 LYS HB3 H 1 1.89 . . . . . . . . . . . 4584 1 116 . 1 1 14 14 LYS HB2 H 1 2.00 . . . . . . . . . . . 4584 1 117 . 1 1 14 14 LYS HA H 1 3.79 . . . . . . . . . . . 4584 1 118 . 1 1 14 14 LYS H H 1 7.99 . . . . . . . . . . . 4584 1 119 . 1 1 14 14 LYS N N 15 118.93 . . . . . . . . . . . 4584 1 120 . 1 1 15 15 ILE HD11 H 1 0.10 . . . . . . . . . . . 4584 1 121 . 1 1 15 15 ILE HD12 H 1 0.10 . . . . . . . . . . . 4584 1 122 . 1 1 15 15 ILE HD13 H 1 0.10 . . . . . . . . . . . 4584 1 123 . 1 1 15 15 ILE HG13 H 1 0.36 . . . . . . . . . . . 4584 1 124 . 1 1 15 15 ILE HA H 1 3.35 . . . . . . . . . . . 4584 1 125 . 1 1 15 15 ILE HG21 H 1 0.10 . . . . . . . . . . . 4584 1 126 . 1 1 15 15 ILE HG22 H 1 0.10 . . . . . . . . . . . 4584 1 127 . 1 1 15 15 ILE HG23 H 1 0.10 . . . . . . . . . . . 4584 1 128 . 1 1 15 15 ILE HB H 1 1.66 . . . . . . . . . . . 4584 1 129 . 1 1 15 15 ILE HG12 H 1 0.50 . . . . . . . . . . . 4584 1 130 . 1 1 15 15 ILE H H 1 8.43 . . . . . . . . . . . 4584 1 131 . 1 1 15 15 ILE N N 15 120.64 . . . . . . . . . . . 4584 1 132 . 1 1 16 16 ASN HB3 H 1 2.70 . . . . . . . . . . . 4584 1 133 . 1 1 16 16 ASN HB2 H 1 2.92 . . . . . . . . . . . 4584 1 134 . 1 1 16 16 ASN H H 1 8.55 . . . . . . . . . . . 4584 1 135 . 1 1 16 16 ASN HA H 1 4.43 . . . . . . . . . . . 4584 1 136 . 1 1 16 16 ASN HD21 H 1 6.65 . . . . . . . . . . . 4584 1 137 . 1 1 16 16 ASN HD22 H 1 7.29 . . . . . . . . . . . 4584 1 138 . 1 1 16 16 ASN N N 15 118.74 . . . . . . . . . . . 4584 1 139 . 1 1 16 16 ASN ND2 N 15 111.44 . . . . . . . . . . . 4584 1 140 . 1 1 17 17 LYS HG2 H 1 1.17 . . . . . . . . . . . 4584 1 141 . 1 1 17 17 LYS HG3 H 1 1.17 . . . . . . . . . . . 4584 1 142 . 1 1 17 17 LYS HD2 H 1 1.30 . . . . . . . . . . . 4584 1 143 . 1 1 17 17 LYS HD3 H 1 1.30 . . . . . . . . . . . 4584 1 144 . 1 1 17 17 LYS HE3 H 1 2.73 . . . . . . . . . . . 4584 1 145 . 1 1 17 17 LYS HB3 H 1 1.73 . . . . . . . . . . . 4584 1 146 . 1 1 17 17 LYS HB2 H 1 1.82 . . . . . . . . . . . 4584 1 147 . 1 1 17 17 LYS HE2 H 1 2.86 . . . . . . . . . . . 4584 1 148 . 1 1 17 17 LYS H H 1 7.83 . . . . . . . . . . . 4584 1 149 . 1 1 17 17 LYS HA H 1 3.96 . . . . . . . . . . . 4584 1 150 . 1 1 17 17 LYS N N 15 119.74 . . . . . . . . . . . 4584 1 151 . 1 1 18 18 ILE HG12 H 1 1.88 . . . . . . . . . . . 4584 1 152 . 1 1 18 18 ILE HB H 1 1.90 . . . . . . . . . . . 4584 1 153 . 1 1 18 18 ILE HG13 H 1 0.93 . . . . . . . . . . . 4584 1 154 . 1 1 18 18 ILE H H 1 7.58 . . . . . . . . . . . 4584 1 155 . 1 1 18 18 ILE HG21 H 1 0.66 . . . . . . . . . . . 4584 1 156 . 1 1 18 18 ILE HG22 H 1 0.66 . . . . . . . . . . . 4584 1 157 . 1 1 18 18 ILE HG23 H 1 0.66 . . . . . . . . . . . 4584 1 158 . 1 1 18 18 ILE HD11 H 1 0.47 . . . . . . . . . . . 4584 1 159 . 1 1 18 18 ILE HD12 H 1 0.47 . . . . . . . . . . . 4584 1 160 . 1 1 18 18 ILE HD13 H 1 0.47 . . . . . . . . . . . 4584 1 161 . 1 1 18 18 ILE HA H 1 3.61 . . . . . . . . . . . 4584 1 162 . 1 1 18 18 ILE N N 15 122.47 . . . . . . . . . . . 4584 1 163 . 1 1 19 19 VAL HB H 1 2.33 . . . . . . . . . . . 4584 1 164 . 1 1 19 19 VAL HA H 1 3.11 . . . . . . . . . . . 4584 1 165 . 1 1 19 19 VAL H H 1 8.01 . . . . . . . . . . . 4584 1 166 . 1 1 19 19 VAL HG11 H 1 0.78 . . . . . . . . . . . 4584 1 167 . 1 1 19 19 VAL HG12 H 1 0.78 . . . . . . . . . . . 4584 1 168 . 1 1 19 19 VAL HG13 H 1 0.78 . . . . . . . . . . . 4584 1 169 . 1 1 19 19 VAL HG21 H 1 0.81 . . . . . . . . . . . 4584 1 170 . 1 1 19 19 VAL HG22 H 1 0.81 . . . . . . . . . . . 4584 1 171 . 1 1 19 19 VAL HG23 H 1 0.81 . . . . . . . . . . . 4584 1 172 . 1 1 19 19 VAL N N 15 119.87 . . . . . . . . . . . 4584 1 173 . 1 1 20 20 GLU HB3 H 1 2.03 . . . . . . . . . . . 4584 1 174 . 1 1 20 20 GLU HA H 1 3.82 . . . . . . . . . . . 4584 1 175 . 1 1 20 20 GLU HB2 H 1 2.17 . . . . . . . . . . . 4584 1 176 . 1 1 20 20 GLU HG2 H 1 2.35 . . . . . . . . . . . 4584 1 177 . 1 1 20 20 GLU HG3 H 1 2.35 . . . . . . . . . . . 4584 1 178 . 1 1 20 20 GLU H H 1 8.04 . . . . . . . . . . . 4584 1 179 . 1 1 20 20 GLU N N 15 116.79 . . . . . . . . . . . 4584 1 180 . 1 1 21 21 ARG HG3 H 1 1.61 . . . . . . . . . . . 4584 1 181 . 1 1 21 21 ARG HB2 H 1 1.93 . . . . . . . . . . . 4584 1 182 . 1 1 21 21 ARG HB3 H 1 1.93 . . . . . . . . . . . 4584 1 183 . 1 1 21 21 ARG HE H 1 7.35 . . . . . . . . . . . 4584 1 184 . 1 1 21 21 ARG HA H 1 4.05 . . . . . . . . . . . 4584 1 185 . 1 1 21 21 ARG HG2 H 1 1.69 . . . . . . . . . . . 4584 1 186 . 1 1 21 21 ARG HD2 H 1 3.16 . . . . . . . . . . . 4584 1 187 . 1 1 21 21 ARG HD3 H 1 3.16 . . . . . . . . . . . 4584 1 188 . 1 1 21 21 ARG H H 1 7.97 . . . . . . . . . . . 4584 1 189 . 1 1 21 21 ARG N N 15 121.38 . . . . . . . . . . . 4584 1 190 . 1 1 21 21 ARG NE N 15 85.13 . . . . . . . . . . . 4584 1 191 . 1 1 22 22 ARG HB3 H 1 1.90 . . . . . . . . . . . 4584 1 192 . 1 1 22 22 ARG H H 1 8.32 . . . . . . . . . . . 4584 1 193 . 1 1 22 22 ARG HA H 1 4.07 . . . . . . . . . . . 4584 1 194 . 1 1 22 22 ARG N N 15 117.80 . . . . . . . . . . . 4584 1 195 . 1 1 22 22 ARG NE N 15 83.80 . . . . . . . . . . . 4584 1 196 . 1 1 23 23 ARG HG2 H 1 1.52 . . . . . . . . . . . 4584 1 197 . 1 1 23 23 ARG HG3 H 1 1.52 . . . . . . . . . . . 4584 1 198 . 1 1 23 23 ARG H H 1 8.43 . . . . . . . . . . . 4584 1 199 . 1 1 23 23 ARG HE H 1 6.84 . . . . . . . . . . . 4584 1 200 . 1 1 23 23 ARG HB3 H 1 1.78 . . . . . . . . . . . 4584 1 201 . 1 1 23 23 ARG HD2 H 1 3.10 . . . . . . . . . . . 4584 1 202 . 1 1 23 23 ARG HB2 H 1 1.84 . . . . . . . . . . . 4584 1 203 . 1 1 23 23 ARG HD3 H 1 3.04 . . . . . . . . . . . 4584 1 204 . 1 1 23 23 ARG HA H 1 4.16 . . . . . . . . . . . 4584 1 205 . 1 1 23 23 ARG N N 15 119.69 . . . . . . . . . . . 4584 1 206 . 1 1 23 23 ARG NE N 15 83.95 . . . . . . . . . . . 4584 1 207 . 1 1 24 24 ALA HB1 H 1 1.50 . . . . . . . . . . . 4584 1 208 . 1 1 24 24 ALA HB2 H 1 1.50 . . . . . . . . . . . 4584 1 209 . 1 1 24 24 ALA HB3 H 1 1.50 . . . . . . . . . . . 4584 1 210 . 1 1 24 24 ALA H H 1 7.89 . . . . . . . . . . . 4584 1 211 . 1 1 24 24 ALA HA H 1 4.17 . . . . . . . . . . . 4584 1 212 . 1 1 24 24 ALA N N 15 122.58 . . . . . . . . . . . 4584 1 213 . 1 1 25 25 GLU HB3 H 1 2.07 . . . . . . . . . . . 4584 1 214 . 1 1 25 25 GLU H H 1 7.57 . . . . . . . . . . . 4584 1 215 . 1 1 25 25 GLU HG2 H 1 2.51 . . . . . . . . . . . 4584 1 216 . 1 1 25 25 GLU HG3 H 1 2.27 . . . . . . . . . . . 4584 1 217 . 1 1 25 25 GLU HB2 H 1 2.11 . . . . . . . . . . . 4584 1 218 . 1 1 25 25 GLU HA H 1 4.19 . . . . . . . . . . . 4584 1 219 . 1 1 25 25 GLU N N 15 116.66 . . . . . . . . . . . 4584 1 220 . 1 1 26 26 GLY HA3 H 1 3.74 . . . . . . . . . . . 4584 1 221 . 1 1 26 26 GLY HA2 H 1 4.20 . . . . . . . . . . . 4584 1 222 . 1 1 26 26 GLY H H 1 7.67 . . . . . . . . . . . 4584 1 223 . 1 1 26 26 GLY N N 15 106.71 . . . . . . . . . . . 4584 1 224 . 1 1 27 27 ALA HB1 H 1 1.26 . . . . . . . . . . . 4584 1 225 . 1 1 27 27 ALA HB2 H 1 1.26 . . . . . . . . . . . 4584 1 226 . 1 1 27 27 ALA HB3 H 1 1.26 . . . . . . . . . . . 4584 1 227 . 1 1 27 27 ALA HA H 1 4.25 . . . . . . . . . . . 4584 1 228 . 1 1 27 27 ALA H H 1 8.01 . . . . . . . . . . . 4584 1 229 . 1 1 27 27 ALA N N 15 124.01 . . . . . . . . . . . 4584 1 230 . 1 1 28 28 LYS HG3 H 1 1.44 . . . . . . . . . . . 4584 1 231 . 1 1 28 28 LYS HE2 H 1 2.95 . . . . . . . . . . . 4584 1 232 . 1 1 28 28 LYS HE3 H 1 2.95 . . . . . . . . . . . 4584 1 233 . 1 1 28 28 LYS H H 1 8.57 . . . . . . . . . . . 4584 1 234 . 1 1 28 28 LYS HD2 H 1 1.65 . . . . . . . . . . . 4584 1 235 . 1 1 28 28 LYS HD3 H 1 1.65 . . . . . . . . . . . 4584 1 236 . 1 1 28 28 LYS HG2 H 1 1.50 . . . . . . . . . . . 4584 1 237 . 1 1 28 28 LYS HB3 H 1 1.74 . . . . . . . . . . . 4584 1 238 . 1 1 28 28 LYS HB2 H 1 1.89 . . . . . . . . . . . 4584 1 239 . 1 1 28 28 LYS HA H 1 4.29 . . . . . . . . . . . 4584 1 240 . 1 1 28 28 LYS N N 15 120.26 . . . . . . . . . . . 4584 1 241 . 1 1 29 29 SER HB3 H 1 3.86 . . . . . . . . . . . 4584 1 242 . 1 1 29 29 SER HB2 H 1 3.90 . . . . . . . . . . . 4584 1 243 . 1 1 29 29 SER H H 1 8.56 . . . . . . . . . . . 4584 1 244 . 1 1 29 29 SER HA H 1 4.25 . . . . . . . . . . . 4584 1 245 . 1 1 29 29 SER N N 15 117.22 . . . . . . . . . . . 4584 1 246 . 1 1 30 30 THR HG21 H 1 1.16 . . . . . . . . . . . 4584 1 247 . 1 1 30 30 THR HG22 H 1 1.16 . . . . . . . . . . . 4584 1 248 . 1 1 30 30 THR HG23 H 1 1.16 . . . . . . . . . . . 4584 1 249 . 1 1 30 30 THR HA H 1 4.14 . . . . . . . . . . . 4584 1 250 . 1 1 30 30 THR HB H 1 4.22 . . . . . . . . . . . 4584 1 251 . 1 1 30 30 THR H H 1 7.43 . . . . . . . . . . . 4584 1 252 . 1 1 30 30 THR N N 15 110.93 . . . . . . . . . . . 4584 1 253 . 1 1 31 31 ASP HB3 H 1 2.63 . . . . . . . . . . . 4584 1 254 . 1 1 31 31 ASP HB2 H 1 2.69 . . . . . . . . . . . 4584 1 255 . 1 1 31 31 ASP H H 1 7.84 . . . . . . . . . . . 4584 1 256 . 1 1 31 31 ASP HA H 1 4.65 . . . . . . . . . . . 4584 1 257 . 1 1 31 31 ASP N N 15 120.87 . . . . . . . . . . . 4584 1 258 . 1 1 32 32 VAL HB H 1 1.86 . . . . . . . . . . . 4584 1 259 . 1 1 32 32 VAL HG11 H 1 0.82 . . . . . . . . . . . 4584 1 260 . 1 1 32 32 VAL HG12 H 1 0.82 . . . . . . . . . . . 4584 1 261 . 1 1 32 32 VAL HG13 H 1 0.82 . . . . . . . . . . . 4584 1 262 . 1 1 32 32 VAL HG21 H 1 0.82 . . . . . . . . . . . 4584 1 263 . 1 1 32 32 VAL HG22 H 1 0.82 . . . . . . . . . . . 4584 1 264 . 1 1 32 32 VAL HG23 H 1 0.82 . . . . . . . . . . . 4584 1 265 . 1 1 32 32 VAL H H 1 7.60 . . . . . . . . . . . 4584 1 266 . 1 1 32 32 VAL HA H 1 4.08 . . . . . . . . . . . 4584 1 267 . 1 1 32 32 VAL N N 15 119.90 . . . . . . . . . . . 4584 1 268 . 1 1 33 33 SER HA H 1 4.67 . . . . . . . . . . . 4584 1 269 . 1 1 33 33 SER H H 1 8.56 . . . . . . . . . . . 4584 1 270 . 1 1 33 33 SER N N 15 120.10 . . . . . . . . . . . 4584 1 271 . 1 1 34 34 PHE HB3 H 1 3.18 . . . . . . . . . . . 4584 1 272 . 1 1 34 34 PHE HB2 H 1 3.72 . . . . . . . . . . . 4584 1 273 . 1 1 34 34 PHE H H 1 9.42 . . . . . . . . . . . 4584 1 274 . 1 1 34 34 PHE HA H 1 4.67 . . . . . . . . . . . 4584 1 275 . 1 1 34 34 PHE HZ H 1 6.97 . . . . . . . . . . . 4584 1 276 . 1 1 34 34 PHE HD1 H 1 7.18 . . . . . . . . . . . 4584 1 277 . 1 1 34 34 PHE HD2 H 1 7.18 . . . . . . . . . . . 4584 1 278 . 1 1 34 34 PHE HE1 H 1 7.29 . . . . . . . . . . . 4584 1 279 . 1 1 34 34 PHE HE2 H 1 7.29 . . . . . . . . . . . 4584 1 280 . 1 1 34 34 PHE N N 15 123.27 . . . . . . . . . . . 4584 1 281 . 1 1 35 35 SER HB2 H 1 4.06 . . . . . . . . . . . 4584 1 282 . 1 1 35 35 SER HB3 H 1 4.06 . . . . . . . . . . . 4584 1 283 . 1 1 35 35 SER H H 1 8.77 . . . . . . . . . . . 4584 1 284 . 1 1 35 35 SER HA H 1 4.33 . . . . . . . . . . . 4584 1 285 . 1 1 35 35 SER N N 15 114.54 . . . . . . . . . . . 4584 1 286 . 1 1 36 36 SER HB3 H 1 3.88 . . . . . . . . . . . 4584 1 287 . 1 1 36 36 SER HA H 1 4.26 . . . . . . . . . . . 4584 1 288 . 1 1 36 36 SER HB2 H 1 4.06 . . . . . . . . . . . 4584 1 289 . 1 1 36 36 SER H H 1 8.38 . . . . . . . . . . . 4584 1 290 . 1 1 36 36 SER N N 15 122.39 . . . . . . . . . . . 4584 1 291 . 1 1 37 37 ILE HG12 H 1 1.73 . . . . . . . . . . . 4584 1 292 . 1 1 37 37 ILE HG13 H 1 0.97 . . . . . . . . . . . 4584 1 293 . 1 1 37 37 ILE HD11 H 1 0.55 . . . . . . . . . . . 4584 1 294 . 1 1 37 37 ILE HD12 H 1 0.55 . . . . . . . . . . . 4584 1 295 . 1 1 37 37 ILE HD13 H 1 0.55 . . . . . . . . . . . 4584 1 296 . 1 1 37 37 ILE HG21 H 1 0.57 . . . . . . . . . . . 4584 1 297 . 1 1 37 37 ILE HG22 H 1 0.57 . . . . . . . . . . . 4584 1 298 . 1 1 37 37 ILE HG23 H 1 0.57 . . . . . . . . . . . 4584 1 299 . 1 1 37 37 ILE H H 1 8.32 . . . . . . . . . . . 4584 1 300 . 1 1 37 37 ILE HA H 1 3.88 . . . . . . . . . . . 4584 1 301 . 1 1 37 37 ILE HB H 1 1.84 . . . . . . . . . . . 4584 1 302 . 1 1 37 37 ILE N N 15 125.82 . . . . . . . . . . . 4584 1 303 . 1 1 38 38 SER HB2 H 1 3.24 . . . . . . . . . . . 4584 1 304 . 1 1 38 38 SER HA H 1 3.71 . . . . . . . . . . . 4584 1 305 . 1 1 38 38 SER HB3 H 1 3.90 . . . . . . . . . . . 4584 1 306 . 1 1 38 38 SER H H 1 8.16 . . . . . . . . . . . 4584 1 307 . 1 1 38 38 SER N N 15 117.88 . . . . . . . . . . . 4584 1 308 . 1 1 39 39 THR HG21 H 1 1.26 . . . . . . . . . . . 4584 1 309 . 1 1 39 39 THR HG22 H 1 1.26 . . . . . . . . . . . 4584 1 310 . 1 1 39 39 THR HG23 H 1 1.26 . . . . . . . . . . . 4584 1 311 . 1 1 39 39 THR HB H 1 4.22 . . . . . . . . . . . 4584 1 312 . 1 1 39 39 THR H H 1 7.95 . . . . . . . . . . . 4584 1 313 . 1 1 39 39 THR HA H 1 3.57 . . . . . . . . . . . 4584 1 314 . 1 1 39 39 THR N N 15 117.82 . . . . . . . . . . . 4584 1 315 . 1 1 40 40 MET HB3 H 1 2.15 . . . . . . . . . . . 4584 1 316 . 1 1 40 40 MET HG2 H 1 2.72 . . . . . . . . . . . 4584 1 317 . 1 1 40 40 MET HA H 1 4.03 . . . . . . . . . . . 4584 1 318 . 1 1 40 40 MET HG3 H 1 2.39 . . . . . . . . . . . 4584 1 319 . 1 1 40 40 MET HB2 H 1 2.32 . . . . . . . . . . . 4584 1 320 . 1 1 40 40 MET H H 1 7.39 . . . . . . . . . . . 4584 1 321 . 1 1 40 40 MET HE1 H 1 1.63 . . . . . . . . . . . 4584 1 322 . 1 1 40 40 MET HE2 H 1 1.63 . . . . . . . . . . . 4584 1 323 . 1 1 40 40 MET HE3 H 1 1.63 . . . . . . . . . . . 4584 1 324 . 1 1 40 40 MET N N 15 121.86 . . . . . . . . . . . 4584 1 325 . 1 1 41 41 LEU HG H 1 1.20 . . . . . . . . . . . 4584 1 326 . 1 1 41 41 LEU HD21 H 1 0.49 . . . . . . . . . . . 4584 1 327 . 1 1 41 41 LEU HD22 H 1 0.49 . . . . . . . . . . . 4584 1 328 . 1 1 41 41 LEU HD23 H 1 0.49 . . . . . . . . . . . 4584 1 329 . 1 1 41 41 LEU H H 1 8.39 . . . . . . . . . . . 4584 1 330 . 1 1 41 41 LEU HD11 H 1 0.37 . . . . . . . . . . . 4584 1 331 . 1 1 41 41 LEU HD12 H 1 0.37 . . . . . . . . . . . 4584 1 332 . 1 1 41 41 LEU HD13 H 1 0.37 . . . . . . . . . . . 4584 1 333 . 1 1 41 41 LEU HB3 H 1 1.71 . . . . . . . . . . . 4584 1 334 . 1 1 41 41 LEU HB2 H 1 1.85 . . . . . . . . . . . 4584 1 335 . 1 1 41 41 LEU HA H 1 3.85 . . . . . . . . . . . 4584 1 336 . 1 1 41 41 LEU N N 15 120.15 . . . . . . . . . . . 4584 1 337 . 1 1 42 42 LEU HG H 1 1.50 . . . . . . . . . . . 4584 1 338 . 1 1 42 42 LEU HD11 H 1 0.67 . . . . . . . . . . . 4584 1 339 . 1 1 42 42 LEU HD12 H 1 0.67 . . . . . . . . . . . 4584 1 340 . 1 1 42 42 LEU HD13 H 1 0.67 . . . . . . . . . . . 4584 1 341 . 1 1 42 42 LEU HD21 H 1 0.67 . . . . . . . . . . . 4584 1 342 . 1 1 42 42 LEU HD22 H 1 0.67 . . . . . . . . . . . 4584 1 343 . 1 1 42 42 LEU HD23 H 1 0.67 . . . . . . . . . . . 4584 1 344 . 1 1 42 42 LEU H H 1 8.10 . . . . . . . . . . . 4584 1 345 . 1 1 42 42 LEU HB2 H 1 1.57 . . . . . . . . . . . 4584 1 346 . 1 1 42 42 LEU HB3 H 1 1.57 . . . . . . . . . . . 4584 1 347 . 1 1 42 42 LEU HA H 1 3.74 . . . . . . . . . . . 4584 1 348 . 1 1 42 42 LEU N N 15 121.74 . . . . . . . . . . . 4584 1 349 . 1 1 43 43 GLU HB3 H 1 1.99 . . . . . . . . . . . 4584 1 350 . 1 1 43 43 GLU H H 1 8.14 . . . . . . . . . . . 4584 1 351 . 1 1 43 43 GLU HA H 1 3.74 . . . . . . . . . . . 4584 1 352 . 1 1 43 43 GLU HG2 H 1 2.52 . . . . . . . . . . . 4584 1 353 . 1 1 43 43 GLU HG3 H 1 2.04 . . . . . . . . . . . 4584 1 354 . 1 1 43 43 GLU HB2 H 1 2.14 . . . . . . . . . . . 4584 1 355 . 1 1 43 43 GLU N N 15 117.44 . . . . . . . . . . . 4584 1 356 . 1 1 44 44 LEU HG H 1 1.58 . . . . . . . . . . . 4584 1 357 . 1 1 44 44 LEU HD11 H 1 0.95 . . . . . . . . . . . 4584 1 358 . 1 1 44 44 LEU HD12 H 1 0.95 . . . . . . . . . . . 4584 1 359 . 1 1 44 44 LEU HD13 H 1 0.95 . . . . . . . . . . . 4584 1 360 . 1 1 44 44 LEU HD21 H 1 0.99 . . . . . . . . . . . 4584 1 361 . 1 1 44 44 LEU HD22 H 1 0.99 . . . . . . . . . . . 4584 1 362 . 1 1 44 44 LEU HD23 H 1 0.99 . . . . . . . . . . . 4584 1 363 . 1 1 44 44 LEU HB2 H 1 1.83 . . . . . . . . . . . 4584 1 364 . 1 1 44 44 LEU HB3 H 1 1.67 . . . . . . . . . . . 4584 1 365 . 1 1 44 44 LEU H H 1 8.19 . . . . . . . . . . . 4584 1 366 . 1 1 44 44 LEU HA H 1 4.09 . . . . . . . . . . . 4584 1 367 . 1 1 44 44 LEU N N 15 121.64 . . . . . . . . . . . 4584 1 368 . 1 1 45 45 GLY HA3 H 1 3.37 . . . . . . . . . . . 4584 1 369 . 1 1 45 45 GLY H H 1 8.72 . . . . . . . . . . . 4584 1 370 . 1 1 45 45 GLY HA2 H 1 4.28 . . . . . . . . . . . 4584 1 371 . 1 1 45 45 GLY N N 15 107.07 . . . . . . . . . . . 4584 1 372 . 1 1 46 46 LEU HB2 H 1 1.53 . . . . . . . . . . . 4584 1 373 . 1 1 46 46 LEU HB3 H 1 1.53 . . . . . . . . . . . 4584 1 374 . 1 1 46 46 LEU HD11 H 1 0.79 . . . . . . . . . . . 4584 1 375 . 1 1 46 46 LEU HD12 H 1 0.79 . . . . . . . . . . . 4584 1 376 . 1 1 46 46 LEU HD13 H 1 0.79 . . . . . . . . . . . 4584 1 377 . 1 1 46 46 LEU HD21 H 1 0.84 . . . . . . . . . . . 4584 1 378 . 1 1 46 46 LEU HD22 H 1 0.84 . . . . . . . . . . . 4584 1 379 . 1 1 46 46 LEU HD23 H 1 0.84 . . . . . . . . . . . 4584 1 380 . 1 1 46 46 LEU HG H 1 1.57 . . . . . . . . . . . 4584 1 381 . 1 1 46 46 LEU H H 1 8.36 . . . . . . . . . . . 4584 1 382 . 1 1 46 46 LEU HA H 1 4.03 . . . . . . . . . . . 4584 1 383 . 1 1 46 46 LEU N N 15 121.19 . . . . . . . . . . . 4584 1 384 . 1 1 47 47 ARG HG3 H 1 1.66 . . . . . . . . . . . 4584 1 385 . 1 1 47 47 ARG HB2 H 1 2.04 . . . . . . . . . . . 4584 1 386 . 1 1 47 47 ARG HD3 H 1 3.14 . . . . . . . . . . . 4584 1 387 . 1 1 47 47 ARG HD2 H 1 3.19 . . . . . . . . . . . 4584 1 388 . 1 1 47 47 ARG H H 1 7.85 . . . . . . . . . . . 4584 1 389 . 1 1 47 47 ARG HE H 1 7.24 . . . . . . . . . . . 4584 1 390 . 1 1 47 47 ARG HA H 1 4.09 . . . . . . . . . . . 4584 1 391 . 1 1 47 47 ARG HB3 H 1 1.94 . . . . . . . . . . . 4584 1 392 . 1 1 47 47 ARG HG2 H 1 1.82 . . . . . . . . . . . 4584 1 393 . 1 1 47 47 ARG N N 15 118.83 . . . . . . . . . . . 4584 1 394 . 1 1 47 47 ARG NE N 15 84.40 . . . . . . . . . . . 4584 1 395 . 1 1 48 48 VAL HG21 H 1 1.05 . . . . . . . . . . . 4584 1 396 . 1 1 48 48 VAL HG22 H 1 1.05 . . . . . . . . . . . 4584 1 397 . 1 1 48 48 VAL HG23 H 1 1.05 . . . . . . . . . . . 4584 1 398 . 1 1 48 48 VAL HG11 H 1 0.91 . . . . . . . . . . . 4584 1 399 . 1 1 48 48 VAL HG12 H 1 0.91 . . . . . . . . . . . 4584 1 400 . 1 1 48 48 VAL HG13 H 1 0.91 . . . . . . . . . . . 4584 1 401 . 1 1 48 48 VAL H H 1 8.13 . . . . . . . . . . . 4584 1 402 . 1 1 48 48 VAL HB H 1 2.13 . . . . . . . . . . . 4584 1 403 . 1 1 48 48 VAL HA H 1 3.67 . . . . . . . . . . . 4584 1 404 . 1 1 48 48 VAL N N 15 120.19 . . . . . . . . . . . 4584 1 405 . 1 1 49 49 TYR HB3 H 1 2.89 . . . . . . . . . . . 4584 1 406 . 1 1 49 49 TYR HA H 1 3.83 . . . . . . . . . . . 4584 1 407 . 1 1 49 49 TYR HB2 H 1 2.94 . . . . . . . . . . . 4584 1 408 . 1 1 49 49 TYR H H 1 8.85 . . . . . . . . . . . 4584 1 409 . 1 1 49 49 TYR HE1 H 1 6.67 . . . . . . . . . . . 4584 1 410 . 1 1 49 49 TYR HE2 H 1 6.67 . . . . . . . . . . . 4584 1 411 . 1 1 49 49 TYR HD1 H 1 6.79 . . . . . . . . . . . 4584 1 412 . 1 1 49 49 TYR HD2 H 1 6.79 . . . . . . . . . . . 4584 1 413 . 1 1 49 49 TYR N N 15 122.87 . . . . . . . . . . . 4584 1 414 . 1 1 50 50 GLU HB3 H 1 1.95 . . . . . . . . . . . 4584 1 415 . 1 1 50 50 GLU HA H 1 3.85 . . . . . . . . . . . 4584 1 416 . 1 1 50 50 GLU HB2 H 1 2.13 . . . . . . . . . . . 4584 1 417 . 1 1 50 50 GLU HG3 H 1 2.20 . . . . . . . . . . . 4584 1 418 . 1 1 50 50 GLU HG2 H 1 2.62 . . . . . . . . . . . 4584 1 419 . 1 1 50 50 GLU H H 1 8.70 . . . . . . . . . . . 4584 1 420 . 1 1 50 50 GLU N N 15 116.73 . . . . . . . . . . . 4584 1 421 . 1 1 51 51 ALA HB1 H 1 1.45 . . . . . . . . . . . 4584 1 422 . 1 1 51 51 ALA HB2 H 1 1.45 . . . . . . . . . . . 4584 1 423 . 1 1 51 51 ALA HB3 H 1 1.45 . . . . . . . . . . . 4584 1 424 . 1 1 51 51 ALA H H 1 7.49 . . . . . . . . . . . 4584 1 425 . 1 1 51 51 ALA HA H 1 4.16 . . . . . . . . . . . 4584 1 426 . 1 1 51 51 ALA N N 15 120.27 . . . . . . . . . . . 4584 1 427 . 1 1 52 52 GLN HB2 H 1 1.94 . . . . . . . . . . . 4584 1 428 . 1 1 52 52 GLN HB3 H 1 1.94 . . . . . . . . . . . 4584 1 429 . 1 1 52 52 GLN H H 1 7.70 . . . . . . . . . . . 4584 1 430 . 1 1 52 52 GLN HA H 1 4.15 . . . . . . . . . . . 4584 1 431 . 1 1 52 52 GLN HG3 H 1 2.25 . . . . . . . . . . . 4584 1 432 . 1 1 52 52 GLN HG2 H 1 2.38 . . . . . . . . . . . 4584 1 433 . 1 1 52 52 GLN HE21 H 1 6.49 . . . . . . . . . . . 4584 1 434 . 1 1 52 52 GLN HE22 H 1 7.13 . . . . . . . . . . . 4584 1 435 . 1 1 52 52 GLN N N 15 115.68 . . . . . . . . . . . 4584 1 436 . 1 1 52 52 GLN NE2 N 15 109.92 . . . . . . . . . . . 4584 1 437 . 1 1 53 53 MET HB3 H 1 1.80 . . . . . . . . . . . 4584 1 438 . 1 1 53 53 MET HB2 H 1 1.89 . . . . . . . . . . . 4584 1 439 . 1 1 53 53 MET HG3 H 1 2.28 . . . . . . . . . . . 4584 1 440 . 1 1 53 53 MET HG2 H 1 2.35 . . . . . . . . . . . 4584 1 441 . 1 1 53 53 MET H H 1 7.62 . . . . . . . . . . . 4584 1 442 . 1 1 53 53 MET HA H 1 4.24 . . . . . . . . . . . 4584 1 443 . 1 1 53 53 MET N N 15 117.95 . . . . . . . . . . . 4584 1 444 . 1 1 54 54 GLU HB3 H 1 1.87 . . . . . . . . . . . 4584 1 445 . 1 1 54 54 GLU H H 1 7.82 . . . . . . . . . . . 4584 1 446 . 1 1 54 54 GLU HG3 H 1 2.17 . . . . . . . . . . . 4584 1 447 . 1 1 54 54 GLU HG2 H 1 2.25 . . . . . . . . . . . 4584 1 448 . 1 1 54 54 GLU HA H 1 4.17 . . . . . . . . . . . 4584 1 449 . 1 1 54 54 GLU HB2 H 1 2.01 . . . . . . . . . . . 4584 1 450 . 1 1 54 54 GLU N N 15 120.77 . . . . . . . . . . . 4584 1 451 . 1 1 55 55 ARG HB3 H 1 1.50 . . . . . . . . . . . 4584 1 452 . 1 1 55 55 ARG H H 1 7.65 . . . . . . . . . . . 4584 1 453 . 1 1 55 55 ARG HB2 H 1 1.63 . . . . . . . . . . . 4584 1 454 . 1 1 55 55 ARG HE H 1 7.07 . . . . . . . . . . . 4584 1 455 . 1 1 55 55 ARG HG2 H 1 1.77 . . . . . . . . . . . 4584 1 456 . 1 1 55 55 ARG HG3 H 1 1.77 . . . . . . . . . . . 4584 1 457 . 1 1 55 55 ARG HD2 H 1 3.10 . . . . . . . . . . . 4584 1 458 . 1 1 55 55 ARG HD3 H 1 3.10 . . . . . . . . . . . 4584 1 459 . 1 1 55 55 ARG HA H 1 4.09 . . . . . . . . . . . 4584 1 460 . 1 1 55 55 ARG N N 15 126.68 . . . . . . . . . . . 4584 1 461 . 1 1 55 55 ARG NE N 15 85.43 . . . . . . . . . . . 4584 1 stop_ save_