data_16130 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16130 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for colicinN Tdomain residues 40-76 in complex with unlabbeled TolAIII ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-23 _Entry.Accession_date 2009-01-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Oliver Hecht . . . 16130 2 Geoffrey Moore . . . 16130 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16130 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 92 16130 '15N chemical shifts' 29 16130 '1H chemical shifts' 29 16130 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 2 . . 2009-05-05 2009-01-23 update BMRB 'complete entry citation' 16130 1 . . 2009-03-30 2009-01-23 original author 'original release' 16130 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16131 Tdom40-76 16130 BMRB 16133 TolAIII 16130 BMRB 16134 TolAIII+tdom 16130 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16130 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19306883 _Citation.Full_citation . _Citation.Title 'A common interaction for the entry of colicin N and filamentous phage into Escherichia Coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 388 _Citation.Journal_issue 4 _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 880 _Citation.Page_last 893 _Citation.Year 2009 _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 Oliver Hecht . . . 16130 1 2 Helen Ridley . . . 16130 1 3 Jeremy Lakey H. . . 16130 1 4 Geoffrey Moore R. . . 16130 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16130 _Assembly.ID 1 _Assembly.Name 'Tdom 40-76 TolAIII complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _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 Tdom40-76 1 $Tdom40-76 A . yes native no no . . . 16130 1 2 TolAIII 2 $TolAIII A . no native no no . . . 16130 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide 1 . 2 TolAIII 2 CYS 77 77 SG . 2 TolAIII 2 CYS 102 102 SG . TolAIII 77 CYS SG . TolAIII 102 CYS SG 16130 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tdom40-76 _Entity.Sf_category entity _Entity.Sf_framecode Tdom40-76 _Entity.Entry_ID 16130 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tdom40-76 _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 ; MGSNGADNAHNNAFGGGKNP GIGNTSGAGSNGSASSNRGN SNGWSWSNKPHKNDGFHSDG SYHITFHGDNNSKPKPGGNS GNRGNNGDGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-25 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 15506 . Colicin_N_T_domain . . . . . 98.89 90 100.00 100.00 4.22e-49 . . . . 16130 1 2 no BMRB 16131 . Tdom40-47 . . . . . 100.00 90 100.00 100.00 2.93e-50 . . . . 16130 1 3 no EMBL CAA68592 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16130 1 4 no EMBL CTB58308 . "colicin E1 protein [Shigella sonnei]" . . . . . 100.00 387 98.89 100.00 1.04e-50 . . . . 16130 1 5 no GB EMX27764 . "colicin-N [Escherichia coli MP021561.2]" . . . . . 100.00 387 100.00 100.00 3.42e-51 . . . . 16130 1 6 no GB EMZ96444 . "colicin-N [Escherichia coli P0299917.1]" . . . . . 100.00 387 100.00 100.00 3.45e-51 . . . . 16130 1 7 no GB KHH25654 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 98.89 100.00 1.01e-50 . . . . 16130 1 8 no GB KHH41883 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16130 1 9 no GB KHH74941 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16130 1 10 no REF WP_001749638 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.45e-51 . . . . 16130 1 11 no REF WP_004026235 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.42e-51 . . . . 16130 1 12 no REF WP_024139131 . "colicin N [Salmonella enterica]" . . . . . 100.00 387 98.89 100.00 1.17e-50 . . . . 16130 1 13 no REF WP_032488335 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16130 1 14 no REF WP_040089861 . "MULTISPECIES: colicin N [Enterobacteriaceae]" . . . . . 100.00 387 98.89 100.00 1.04e-50 . . . . 16130 1 15 no SP P08083 . "RecName: Full=Colicin-N" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16130 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 . MET . 16130 1 2 . GLY . 16130 1 3 . SER . 16130 1 4 . ASN . 16130 1 5 . GLY . 16130 1 6 . ALA . 16130 1 7 . ASP . 16130 1 8 . ASN . 16130 1 9 . ALA . 16130 1 10 . HIS . 16130 1 11 . ASN . 16130 1 12 . ASN . 16130 1 13 . ALA . 16130 1 14 . PHE . 16130 1 15 . GLY . 16130 1 16 . GLY . 16130 1 17 . GLY . 16130 1 18 . LYS . 16130 1 19 . ASN . 16130 1 20 . PRO . 16130 1 21 . GLY . 16130 1 22 . ILE . 16130 1 23 . GLY . 16130 1 24 . ASN . 16130 1 25 . THR . 16130 1 26 . SER . 16130 1 27 . GLY . 16130 1 28 . ALA . 16130 1 29 . GLY . 16130 1 30 . SER . 16130 1 31 . ASN . 16130 1 32 . GLY . 16130 1 33 . SER . 16130 1 34 . ALA . 16130 1 35 . SER . 16130 1 36 . SER . 16130 1 37 . ASN . 16130 1 38 . ARG . 16130 1 39 . GLY . 16130 1 40 . ASN . 16130 1 41 . SER . 16130 1 42 . ASN . 16130 1 43 . GLY . 16130 1 44 . TRP . 16130 1 45 . SER . 16130 1 46 . TRP . 16130 1 47 . SER . 16130 1 48 . ASN . 16130 1 49 . LYS . 16130 1 50 . PRO . 16130 1 51 . HIS . 16130 1 52 . LYS . 16130 1 53 . ASN . 16130 1 54 . ASP . 16130 1 55 . GLY . 16130 1 56 . PHE . 16130 1 57 . HIS . 16130 1 58 . SER . 16130 1 59 . ASP . 16130 1 60 . GLY . 16130 1 61 . SER . 16130 1 62 . TYR . 16130 1 63 . HIS . 16130 1 64 . ILE . 16130 1 65 . THR . 16130 1 66 . PHE . 16130 1 67 . HIS . 16130 1 68 . GLY . 16130 1 69 . ASP . 16130 1 70 . ASN . 16130 1 71 . ASN . 16130 1 72 . SER . 16130 1 73 . LYS . 16130 1 74 . PRO . 16130 1 75 . LYS . 16130 1 76 . PRO . 16130 1 77 . GLY . 16130 1 78 . GLY . 16130 1 79 . ASN . 16130 1 80 . SER . 16130 1 81 . GLY . 16130 1 82 . ASN . 16130 1 83 . ARG . 16130 1 84 . GLY . 16130 1 85 . ASN . 16130 1 86 . ASN . 16130 1 87 . GLY . 16130 1 88 . ASP . 16130 1 89 . GLY . 16130 1 90 . ALA . 16130 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 . MET 1 1 16130 1 . GLY 2 2 16130 1 . SER 3 3 16130 1 . ASN 4 4 16130 1 . GLY 5 5 16130 1 . ALA 6 6 16130 1 . ASP 7 7 16130 1 . ASN 8 8 16130 1 . ALA 9 9 16130 1 . HIS 10 10 16130 1 . ASN 11 11 16130 1 . ASN 12 12 16130 1 . ALA 13 13 16130 1 . PHE 14 14 16130 1 . GLY 15 15 16130 1 . GLY 16 16 16130 1 . GLY 17 17 16130 1 . LYS 18 18 16130 1 . ASN 19 19 16130 1 . PRO 20 20 16130 1 . GLY 21 21 16130 1 . ILE 22 22 16130 1 . GLY 23 23 16130 1 . ASN 24 24 16130 1 . THR 25 25 16130 1 . SER 26 26 16130 1 . GLY 27 27 16130 1 . ALA 28 28 16130 1 . GLY 29 29 16130 1 . SER 30 30 16130 1 . ASN 31 31 16130 1 . GLY 32 32 16130 1 . SER 33 33 16130 1 . ALA 34 34 16130 1 . SER 35 35 16130 1 . SER 36 36 16130 1 . ASN 37 37 16130 1 . ARG 38 38 16130 1 . GLY 39 39 16130 1 . ASN 40 40 16130 1 . SER 41 41 16130 1 . ASN 42 42 16130 1 . GLY 43 43 16130 1 . TRP 44 44 16130 1 . SER 45 45 16130 1 . TRP 46 46 16130 1 . SER 47 47 16130 1 . ASN 48 48 16130 1 . LYS 49 49 16130 1 . PRO 50 50 16130 1 . HIS 51 51 16130 1 . LYS 52 52 16130 1 . ASN 53 53 16130 1 . ASP 54 54 16130 1 . GLY 55 55 16130 1 . PHE 56 56 16130 1 . HIS 57 57 16130 1 . SER 58 58 16130 1 . ASP 59 59 16130 1 . GLY 60 60 16130 1 . SER 61 61 16130 1 . TYR 62 62 16130 1 . HIS 63 63 16130 1 . ILE 64 64 16130 1 . THR 65 65 16130 1 . PHE 66 66 16130 1 . HIS 67 67 16130 1 . GLY 68 68 16130 1 . ASP 69 69 16130 1 . ASN 70 70 16130 1 . ASN 71 71 16130 1 . SER 72 72 16130 1 . LYS 73 73 16130 1 . PRO 74 74 16130 1 . LYS 75 75 16130 1 . PRO 76 76 16130 1 . GLY 77 77 16130 1 . GLY 78 78 16130 1 . ASN 79 79 16130 1 . SER 80 80 16130 1 . GLY 81 81 16130 1 . ASN 82 82 16130 1 . ARG 83 83 16130 1 . GLY 84 84 16130 1 . ASN 85 85 16130 1 . ASN 86 86 16130 1 . GLY 87 87 16130 1 . ASP 88 88 16130 1 . GLY 89 89 16130 1 . ALA 90 90 16130 1 stop_ save_ save_TolAIII _Entity.Sf_category entity _Entity.Sf_framecode TolAIII _Entity.Entry_ID 16130 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TolAIII _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 ; HHHHHHSSQIFSVTLSSGKN APKTGGGAKGNNASPAGSGN TKNNGASGADINNYAGQIKS AIESKFYDASSYAGKTCTLR IKLAPDGMLLDIKPEGGDPA LCQAALAAAKLAKIPKPPSQ AVYEVFKNAPLDFKP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2015-01-30 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 16133 . TolAIII . . . . . 100.00 135 100.00 100.00 4.65e-91 . . . . 16130 2 2 no BMRB 16134 . TolAIII . . . . . 100.00 135 100.00 100.00 4.65e-91 . . . . 16130 2 3 no BMRB 4771 . TolA . . . . . 71.85 106 100.00 100.00 1.11e-61 . . . . 16130 2 4 no PDB 1S62 . "Solution Structure Of The Escherichia Coli Tola C-Terminal Domain" . . . . . 71.85 106 100.00 100.00 1.11e-61 . . . . 16130 2 5 no PDB 1TOL . "Fusion Of N-Terminal Domain Of The Minor Coat Protein From Gene Iii In Phage M13, And C-Terminal Domain Of E. Coli Protein-Tola" . . . . . 89.63 222 100.00 100.00 1.21e-77 . . . . 16130 2 6 no PDB 2X9A . "Crystal Structure Of G3p From Phage If1 In Complex With Its Coreceptor, The C-Terminal Domain Of Tola" . . . . . 89.63 136 100.00 100.00 4.24e-78 . . . . 16130 2 7 no GB AHA63696 . "TolA protein [Shigella dysenteriae 1617]" . . . . . 83.70 116 99.12 99.12 7.85e-72 . . . . 16130 2 8 no GB AHG07456 . "TolA protein [Escherichia coli O145:H28 str. RM13514]" . . . . . 93.33 368 97.62 97.62 6.39e-85 . . . . 16130 2 9 no GB AHY69283 . "TolA protein [Escherichia coli O145:H28 str. RM12581]" . . . . . 93.33 368 97.62 97.62 6.39e-85 . . . . 16130 2 10 no GB EGB67246 . "TonB family protein domain-containing protein [Escherichia coli TA007]" . . . . . 81.48 115 99.09 99.09 4.79e-70 . . . . 16130 2 11 no GB EGC08283 . "TonB family protein domain-containing protein [Escherichia fergusonii B253]" . . . . . 71.85 98 96.91 97.94 2.59e-60 . . . . 16130 2 12 no REF WP_000030617 . "cell envelope integrity inner membrane protein TolA [Escherichia coli]" . . . . . 93.33 421 97.62 97.62 5.31e-83 . . . . 16130 2 13 no REF WP_000030621 . "cell envelope integrity inner membrane protein TolA [Escherichia sp. TW09231]" . . . . . 93.33 422 97.62 97.62 2.41e-83 . . . . 16130 2 14 no REF WP_000030643 . "cell envelope integrity inner membrane protein TolA [Escherichia coli]" . . . . . 93.33 437 97.62 97.62 1.92e-83 . . . . 16130 2 15 no REF WP_000030697 . "MULTISPECIES: cell envelope integrity inner membrane protein TolA [Escherichia]" . . . . . 93.33 422 97.62 97.62 2.95e-83 . . . . 16130 2 16 no REF WP_000030705 . "cell envelope integrity inner membrane protein TolA [Escherichia sp. TW14182]" . . . . . 93.33 425 97.62 97.62 1.64e-83 . . . . 16130 2 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 . HIS . 16130 2 2 . HIS . 16130 2 3 . HIS . 16130 2 4 . HIS . 16130 2 5 . HIS . 16130 2 6 . HIS . 16130 2 7 . SER . 16130 2 8 . SER . 16130 2 9 . GLN . 16130 2 10 . ILE . 16130 2 11 . PHE . 16130 2 12 . SER . 16130 2 13 . VAL . 16130 2 14 . THR . 16130 2 15 . LEU . 16130 2 16 . SER . 16130 2 17 . SER . 16130 2 18 . GLY . 16130 2 19 . LYS . 16130 2 20 . ASN . 16130 2 21 . ALA . 16130 2 22 . PRO . 16130 2 23 . LYS . 16130 2 24 . THR . 16130 2 25 . GLY . 16130 2 26 . GLY . 16130 2 27 . GLY . 16130 2 28 . ALA . 16130 2 29 . LYS . 16130 2 30 . GLY . 16130 2 31 . ASN . 16130 2 32 . ASN . 16130 2 33 . ALA . 16130 2 34 . SER . 16130 2 35 . PRO . 16130 2 36 . ALA . 16130 2 37 . GLY . 16130 2 38 . SER . 16130 2 39 . GLY . 16130 2 40 . ASN . 16130 2 41 . THR . 16130 2 42 . LYS . 16130 2 43 . ASN . 16130 2 44 . ASN . 16130 2 45 . GLY . 16130 2 46 . ALA . 16130 2 47 . SER . 16130 2 48 . GLY . 16130 2 49 . ALA . 16130 2 50 . ASP . 16130 2 51 . ILE . 16130 2 52 . ASN . 16130 2 53 . ASN . 16130 2 54 . TYR . 16130 2 55 . ALA . 16130 2 56 . GLY . 16130 2 57 . GLN . 16130 2 58 . ILE . 16130 2 59 . LYS . 16130 2 60 . SER . 16130 2 61 . ALA . 16130 2 62 . ILE . 16130 2 63 . GLU . 16130 2 64 . SER . 16130 2 65 . LYS . 16130 2 66 . PHE . 16130 2 67 . TYR . 16130 2 68 . ASP . 16130 2 69 . ALA . 16130 2 70 . SER . 16130 2 71 . SER . 16130 2 72 . TYR . 16130 2 73 . ALA . 16130 2 74 . GLY . 16130 2 75 . LYS . 16130 2 76 . THR . 16130 2 77 . CYS . 16130 2 78 . THR . 16130 2 79 . LEU . 16130 2 80 . ARG . 16130 2 81 . ILE . 16130 2 82 . LYS . 16130 2 83 . LEU . 16130 2 84 . ALA . 16130 2 85 . PRO . 16130 2 86 . ASP . 16130 2 87 . GLY . 16130 2 88 . MET . 16130 2 89 . LEU . 16130 2 90 . LEU . 16130 2 91 . ASP . 16130 2 92 . ILE . 16130 2 93 . LYS . 16130 2 94 . PRO . 16130 2 95 . GLU . 16130 2 96 . GLY . 16130 2 97 . GLY . 16130 2 98 . ASP . 16130 2 99 . PRO . 16130 2 100 . ALA . 16130 2 101 . LEU . 16130 2 102 . CYS . 16130 2 103 . GLN . 16130 2 104 . ALA . 16130 2 105 . ALA . 16130 2 106 . LEU . 16130 2 107 . ALA . 16130 2 108 . ALA . 16130 2 109 . ALA . 16130 2 110 . LYS . 16130 2 111 . LEU . 16130 2 112 . ALA . 16130 2 113 . LYS . 16130 2 114 . ILE . 16130 2 115 . PRO . 16130 2 116 . LYS . 16130 2 117 . PRO . 16130 2 118 . PRO . 16130 2 119 . SER . 16130 2 120 . GLN . 16130 2 121 . ALA . 16130 2 122 . VAL . 16130 2 123 . TYR . 16130 2 124 . GLU . 16130 2 125 . VAL . 16130 2 126 . PHE . 16130 2 127 . LYS . 16130 2 128 . ASN . 16130 2 129 . ALA . 16130 2 130 . PRO . 16130 2 131 . LEU . 16130 2 132 . ASP . 16130 2 133 . PHE . 16130 2 134 . LYS . 16130 2 135 . PRO . 16130 2 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 . HIS 1 1 16130 2 . HIS 2 2 16130 2 . HIS 3 3 16130 2 . HIS 4 4 16130 2 . HIS 5 5 16130 2 . HIS 6 6 16130 2 . SER 7 7 16130 2 . SER 8 8 16130 2 . GLN 9 9 16130 2 . ILE 10 10 16130 2 . PHE 11 11 16130 2 . SER 12 12 16130 2 . VAL 13 13 16130 2 . THR 14 14 16130 2 . LEU 15 15 16130 2 . SER 16 16 16130 2 . SER 17 17 16130 2 . GLY 18 18 16130 2 . LYS 19 19 16130 2 . ASN 20 20 16130 2 . ALA 21 21 16130 2 . PRO 22 22 16130 2 . LYS 23 23 16130 2 . THR 24 24 16130 2 . GLY 25 25 16130 2 . GLY 26 26 16130 2 . GLY 27 27 16130 2 . ALA 28 28 16130 2 . LYS 29 29 16130 2 . GLY 30 30 16130 2 . ASN 31 31 16130 2 . ASN 32 32 16130 2 . ALA 33 33 16130 2 . SER 34 34 16130 2 . PRO 35 35 16130 2 . ALA 36 36 16130 2 . GLY 37 37 16130 2 . SER 38 38 16130 2 . GLY 39 39 16130 2 . ASN 40 40 16130 2 . THR 41 41 16130 2 . LYS 42 42 16130 2 . ASN 43 43 16130 2 . ASN 44 44 16130 2 . GLY 45 45 16130 2 . ALA 46 46 16130 2 . SER 47 47 16130 2 . GLY 48 48 16130 2 . ALA 49 49 16130 2 . ASP 50 50 16130 2 . ILE 51 51 16130 2 . ASN 52 52 16130 2 . ASN 53 53 16130 2 . TYR 54 54 16130 2 . ALA 55 55 16130 2 . GLY 56 56 16130 2 . GLN 57 57 16130 2 . ILE 58 58 16130 2 . LYS 59 59 16130 2 . SER 60 60 16130 2 . ALA 61 61 16130 2 . ILE 62 62 16130 2 . GLU 63 63 16130 2 . SER 64 64 16130 2 . LYS 65 65 16130 2 . PHE 66 66 16130 2 . TYR 67 67 16130 2 . ASP 68 68 16130 2 . ALA 69 69 16130 2 . SER 70 70 16130 2 . SER 71 71 16130 2 . TYR 72 72 16130 2 . ALA 73 73 16130 2 . GLY 74 74 16130 2 . LYS 75 75 16130 2 . THR 76 76 16130 2 . CYS 77 77 16130 2 . THR 78 78 16130 2 . LEU 79 79 16130 2 . ARG 80 80 16130 2 . ILE 81 81 16130 2 . LYS 82 82 16130 2 . LEU 83 83 16130 2 . ALA 84 84 16130 2 . PRO 85 85 16130 2 . ASP 86 86 16130 2 . GLY 87 87 16130 2 . MET 88 88 16130 2 . LEU 89 89 16130 2 . LEU 90 90 16130 2 . ASP 91 91 16130 2 . ILE 92 92 16130 2 . LYS 93 93 16130 2 . PRO 94 94 16130 2 . GLU 95 95 16130 2 . GLY 96 96 16130 2 . GLY 97 97 16130 2 . ASP 98 98 16130 2 . PRO 99 99 16130 2 . ALA 100 100 16130 2 . LEU 101 101 16130 2 . CYS 102 102 16130 2 . GLN 103 103 16130 2 . ALA 104 104 16130 2 . ALA 105 105 16130 2 . LEU 106 106 16130 2 . ALA 107 107 16130 2 . ALA 108 108 16130 2 . ALA 109 109 16130 2 . LYS 110 110 16130 2 . LEU 111 111 16130 2 . ALA 112 112 16130 2 . LYS 113 113 16130 2 . ILE 114 114 16130 2 . PRO 115 115 16130 2 . LYS 116 116 16130 2 . PRO 117 117 16130 2 . PRO 118 118 16130 2 . SER 119 119 16130 2 . GLN 120 120 16130 2 . ALA 121 121 16130 2 . VAL 122 122 16130 2 . TYR 123 123 16130 2 . GLU 124 124 16130 2 . VAL 125 125 16130 2 . PHE 126 126 16130 2 . LYS 127 127 16130 2 . ASN 128 128 16130 2 . ALA 129 129 16130 2 . PRO 130 130 16130 2 . LEU 131 131 16130 2 . ASP 132 132 16130 2 . PHE 133 133 16130 2 . LYS 134 134 16130 2 . PRO 135 135 16130 2 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 16130 _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 $Tdom40-76 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16130 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 16130 _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 $Tdom40-76 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ptoletdom . . . . . . 16130 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Tdom40-76+tola _Sample.Sf_category sample _Sample.Sf_framecode Tdom40-76+tola _Sample.Entry_ID 16130 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C15N labelled colicin N Tdomain residues 40-76 in complex with unlabelled TolAIII residues 296-421' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Tdom40-76 '[U-100% 13C; U-100% 15N]' . . 1 $Tdom40-76 . . 1.2 . . mM . . . . 16130 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16130 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16130 1 4 TolAIII 'natural abundance' . . 2 $TolAIII . . 1.2 . . mM . . . . 16130 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16130 _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 'ionic strength' 0.35 . M 16130 1 pH 6.8 . pH 16130 1 pressure 1 . atm 16130 1 temperature 300 . K 16130 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16130 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16130 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16130 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16130 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16130 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16130 _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 Varian INOVA . 500 . . . 16130 1 2 spectrometer_2 Varian INOVA . 600 . . . 16130 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 16130 _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 1H-15N HSQC' no . . . . . . . . . . 1 $Tdom40-76+tola isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16130 1 2 '3D HNCO' no . . . . . . . . . . 1 $Tdom40-76+tola isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16130 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Tdom40-76+tola isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16130 1 4 '3D HNCACB' no . . . . . . . . . . 1 $Tdom40-76+tola isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16130 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16130 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16130 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16130 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16130 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16130 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 1H-15N HSQC' . . . 16130 1 2 '3D HNCO' . . . 16130 1 3 '3D CBCA(CO)NH' . . . 16130 1 4 '3D HNCACB' . . . 16130 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 39 39 GLY CA C 13 58.666 . . 1 . . . . 39 GLY CA . 16130 1 2 . 1 1 40 40 ASN H H 1 8.752 . . 1 . . . . 40 ASN HN . 16130 1 3 . 1 1 40 40 ASN C C 13 174.495 . . 1 . . . . 40 ASN C . 16130 1 4 . 1 1 40 40 ASN CA C 13 53.553 . . 1 . . . . 40 ASN CA . 16130 1 5 . 1 1 40 40 ASN CB C 13 39.184 . . 1 . . . . 40 ASN CB . 16130 1 6 . 1 1 40 40 ASN N N 15 120.889 . . 1 . . . . 40 ASN N . 16130 1 7 . 1 1 41 41 SER H H 1 8.494 . . 1 . . . . 41 SER HN . 16130 1 8 . 1 1 41 41 SER C C 13 175.590 . . 1 . . . . 41 SER C . 16130 1 9 . 1 1 41 41 SER CA C 13 58.897 . . 1 . . . . 41 SER CA . 16130 1 10 . 1 1 41 41 SER CB C 13 63.961 . . 1 . . . . 41 SER CB . 16130 1 11 . 1 1 41 41 SER N N 15 116.437 . . 1 . . . . 41 SER N . 16130 1 12 . 1 1 42 42 ASN H H 1 8.594 . . 1 . . . . 42 ASN HN . 16130 1 13 . 1 1 42 42 ASN C C 13 174.669 . . 1 . . . . 42 ASN C . 16130 1 14 . 1 1 42 42 ASN CA C 13 53.716 . . 1 . . . . 42 ASN CA . 16130 1 15 . 1 1 42 42 ASN CB C 13 39.177 . . 1 . . . . 42 ASN CB . 16130 1 16 . 1 1 42 42 ASN N N 15 120.384 . . 1 . . . . 42 ASN N . 16130 1 17 . 1 1 43 43 GLY H H 1 8.451 . . 1 . . . . 43 GLY HN . 16130 1 18 . 1 1 43 43 GLY C C 13 175.750 . . 1 . . . . 43 GLY C . 16130 1 19 . 1 1 43 43 GLY CA C 13 45.712 . . 1 . . . . 43 GLY CA . 16130 1 20 . 1 1 43 43 GLY N N 15 109.118 . . 1 . . . . 43 GLY N . 16130 1 21 . 1 1 44 44 TRP H H 1 8.266 . . 1 . . . . 44 TRP HN . 16130 1 22 . 1 1 44 44 TRP C C 13 173.465 . . 1 . . . . 44 TRP C . 16130 1 23 . 1 1 44 44 TRP CA C 13 58.762 . . 1 . . . . 44 TRP CA . 16130 1 24 . 1 1 44 44 TRP CB C 13 31.179 . . 1 . . . . 44 TRP CB . 16130 1 25 . 1 1 44 44 TRP N N 15 122.793 . . 1 . . . . 44 TRP N . 16130 1 26 . 1 1 45 45 SER H H 1 7.200 . . 1 . . . . 45 SER HN . 16130 1 27 . 1 1 45 45 SER C C 13 175.811 . . 1 . . . . 45 SER C . 16130 1 28 . 1 1 45 45 SER CA C 13 57.475 . . 1 . . . . 45 SER CA . 16130 1 29 . 1 1 45 45 SER CB C 13 65.768 . . 1 . . . . 45 SER CB . 16130 1 30 . 1 1 45 45 SER N N 15 120.861 . . 1 . . . . 45 SER N . 16130 1 31 . 1 1 46 46 TRP CA C 13 56.978 . . 1 . . . . 46 TRP CA . 16130 1 32 . 1 1 46 46 TRP CB C 13 30.450 . . 1 . . . . 46 TRP CB . 16130 1 33 . 1 1 47 47 SER H H 1 9.047 . . 1 . . . . 47 SER HN . 16130 1 34 . 1 1 47 47 SER C C 13 177.045 . . 1 . . . . 47 SER C . 16130 1 35 . 1 1 47 47 SER CA C 13 57.455 . . 1 . . . . 47 SER CA . 16130 1 36 . 1 1 47 47 SER CB C 13 63.825 . . 1 . . . . 47 SER CB . 16130 1 37 . 1 1 47 47 SER N N 15 115.925 . . 1 . . . . 47 SER N . 16130 1 38 . 1 1 48 48 ASN H H 1 9.057 . . 1 . . . . 48 ASN HN . 16130 1 39 . 1 1 48 48 ASN C C 13 176.312 . . 1 . . . . 48 ASN C . 16130 1 40 . 1 1 48 48 ASN CA C 13 52.766 . . 1 . . . . 48 ASN CA . 16130 1 41 . 1 1 48 48 ASN CB C 13 38.784 . . 1 . . . . 48 ASN CB . 16130 1 42 . 1 1 48 48 ASN N N 15 126.421 . . 1 . . . . 48 ASN N . 16130 1 43 . 1 1 49 49 LYS H H 1 8.282 . . 1 . . . . 49 LYS HN . 16130 1 44 . 1 1 49 49 LYS C C 13 175.459 . . 1 . . . . 49 LYS C . 16130 1 45 . 1 1 49 49 LYS CA C 13 54.918 . . 1 . . . . 49 LYS CA . 16130 1 46 . 1 1 49 49 LYS CB C 13 32.636 . . 1 . . . . 49 LYS CB . 16130 1 47 . 1 1 49 49 LYS N N 15 122.305 . . 1 . . . . 49 LYS N . 16130 1 48 . 1 1 50 50 PRO CA C 13 63.600 . . 1 . . . . 50 PRO CA . 16130 1 49 . 1 1 50 50 PRO CB C 13 32.621 . . 1 . . . . 50 PRO CB . 16130 1 50 . 1 1 51 51 HIS H H 1 8.630 . . 1 . . . . 51 HIS HN . 16130 1 51 . 1 1 51 51 HIS C C 13 175.272 . . 1 . . . . 51 HIS C . 16130 1 52 . 1 1 51 51 HIS CA C 13 55.719 . . 1 . . . . 51 HIS CA . 16130 1 53 . 1 1 51 51 HIS CB C 13 34.423 . . 1 . . . . 51 HIS CB . 16130 1 54 . 1 1 51 51 HIS N N 15 124.189 . . 1 . . . . 51 HIS N . 16130 1 55 . 1 1 52 52 LYS H H 1 8.461 . . 1 . . . . 52 LYS HN . 16130 1 56 . 1 1 52 52 LYS C C 13 176.655 . . 1 . . . . 52 LYS C . 16130 1 57 . 1 1 52 52 LYS CA C 13 59.380 . . 1 . . . . 52 LYS CA . 16130 1 58 . 1 1 52 52 LYS CB C 13 32.247 . . 1 . . . . 52 LYS CB . 16130 1 59 . 1 1 52 52 LYS N N 15 130.194 . . 1 . . . . 52 LYS N . 16130 1 60 . 1 1 53 53 ASN CA C 13 55.215 . . 1 . . . . 53 ASN CA . 16130 1 61 . 1 1 53 53 ASN CB C 13 40.403 . . 1 . . . . 53 ASN CB . 16130 1 62 . 1 1 54 54 ASP H H 1 8.129 . . 1 . . . . 54 ASP HN . 16130 1 63 . 1 1 54 54 ASP C C 13 176.069 . . 1 . . . . 54 ASP C . 16130 1 64 . 1 1 54 54 ASP CA C 13 55.650 . . 1 . . . . 54 ASP CA . 16130 1 65 . 1 1 54 54 ASP CB C 13 42.167 . . 1 . . . . 54 ASP CB . 16130 1 66 . 1 1 54 54 ASP N N 15 119.024 . . 1 . . . . 54 ASP N . 16130 1 67 . 1 1 55 55 GLY H H 1 8.342 . . 1 . . . . 55 GLY HN . 16130 1 68 . 1 1 55 55 GLY C C 13 177.861 . . 1 . . . . 55 GLY C . 16130 1 69 . 1 1 55 55 GLY CA C 13 43.191 . . 1 . . . . 55 GLY CA . 16130 1 70 . 1 1 55 55 GLY N N 15 107.199 . . 1 . . . . 55 GLY N . 16130 1 71 . 1 1 56 56 PHE H H 1 8.593 . . 1 . . . . 56 PHE HN . 16130 1 72 . 1 1 56 56 PHE C C 13 175.502 . . 1 . . . . 56 PHE C . 16130 1 73 . 1 1 56 56 PHE CA C 13 60.365 . . 1 . . . . 56 PHE CA . 16130 1 74 . 1 1 56 56 PHE CB C 13 39.476 . . 1 . . . . 56 PHE CB . 16130 1 75 . 1 1 56 56 PHE N N 15 118.926 . . 1 . . . . 56 PHE N . 16130 1 76 . 1 1 57 57 HIS H H 1 9.160 . . 1 . . . . 57 HIS HN . 16130 1 77 . 1 1 57 57 HIS C C 13 178.830 . . 1 . . . . 57 HIS C . 16130 1 78 . 1 1 57 57 HIS CA C 13 53.423 . . 1 . . . . 57 HIS CA . 16130 1 79 . 1 1 57 57 HIS CB C 13 31.295 . . 1 . . . . 57 HIS CB . 16130 1 80 . 1 1 57 57 HIS N N 15 122.204 . . 1 . . . . 57 HIS N . 16130 1 81 . 1 1 58 58 SER CA C 13 61.693 . . 1 . . . . 58 SER CA . 16130 1 82 . 1 1 58 58 SER CB C 13 63.026 . . 1 . . . . 58 SER CB . 16130 1 83 . 1 1 59 59 ASP H H 1 7.997 . . 1 . . . . 59 ASP HN . 16130 1 84 . 1 1 59 59 ASP C C 13 174.400 . . 1 . . . . 59 ASP C . 16130 1 85 . 1 1 59 59 ASP CA C 13 53.934 . . 1 . . . . 59 ASP CA . 16130 1 86 . 1 1 59 59 ASP CB C 13 39.949 . . 1 . . . . 59 ASP CB . 16130 1 87 . 1 1 59 59 ASP N N 15 119.019 . . 1 . . . . 59 ASP N . 16130 1 88 . 1 1 60 60 GLY H H 1 8.555 . . 1 . . . . 60 GLY HN . 16130 1 89 . 1 1 60 60 GLY C C 13 177.297 . . 1 . . . . 60 GLY C . 16130 1 90 . 1 1 60 60 GLY CA C 13 45.582 . . 1 . . . . 60 GLY CA . 16130 1 91 . 1 1 60 60 GLY N N 15 109.079 . . 1 . . . . 60 GLY N . 16130 1 92 . 1 1 61 61 SER H H 1 8.598 . . 1 . . . . 61 SER HN . 16130 1 93 . 1 1 61 61 SER C C 13 174.399 . . 1 . . . . 61 SER C . 16130 1 94 . 1 1 61 61 SER CA C 13 58.025 . . 1 . . . . 61 SER CA . 16130 1 95 . 1 1 61 61 SER CB C 13 65.381 . . 1 . . . . 61 SER CB . 16130 1 96 . 1 1 61 61 SER N N 15 116.970 . . 1 . . . . 61 SER N . 16130 1 97 . 1 1 62 62 TYR H H 1 8.951 . . 1 . . . . 62 TYR HN . 16130 1 98 . 1 1 62 62 TYR C C 13 172.693 . . 1 . . . . 62 TYR C . 16130 1 99 . 1 1 62 62 TYR CA C 13 56.967 . . 1 . . . . 62 TYR CA . 16130 1 100 . 1 1 62 62 TYR CB C 13 39.412 . . 1 . . . . 62 TYR CB . 16130 1 101 . 1 1 62 62 TYR N N 15 127.157 . . 1 . . . . 62 TYR N . 16130 1 102 . 1 1 63 63 HIS H H 1 8.358 . . 1 . . . . 63 HIS HN . 16130 1 103 . 1 1 63 63 HIS C C 13 175.217 . . 1 . . . . 63 HIS C . 16130 1 104 . 1 1 63 63 HIS CA C 13 55.285 . . 1 . . . . 63 HIS CA . 16130 1 105 . 1 1 63 63 HIS CB C 13 29.499 . . 1 . . . . 63 HIS CB . 16130 1 106 . 1 1 63 63 HIS N N 15 124.720 . . 1 . . . . 63 HIS N . 16130 1 107 . 1 1 64 64 ILE H H 1 7.708 . . 1 . . . . 64 ILE HN . 16130 1 108 . 1 1 64 64 ILE C C 13 173.913 . . 1 . . . . 64 ILE C . 16130 1 109 . 1 1 64 64 ILE CA C 13 61.319 . . 1 . . . . 64 ILE CA . 16130 1 110 . 1 1 64 64 ILE CB C 13 40.196 . . 1 . . . . 64 ILE CB . 16130 1 111 . 1 1 64 64 ILE N N 15 122.355 . . 1 . . . . 64 ILE N . 16130 1 112 . 1 1 65 65 THR H H 1 8.329 . . 1 . . . . 65 THR HN . 16130 1 113 . 1 1 65 65 THR C C 13 174.544 . . 1 . . . . 65 THR C . 16130 1 114 . 1 1 65 65 THR CA C 13 61.713 . . 1 . . . . 65 THR CA . 16130 1 115 . 1 1 65 65 THR CB C 13 69.097 . . 1 . . . . 65 THR CB . 16130 1 116 . 1 1 65 65 THR N N 15 122.957 . . 1 . . . . 65 THR N . 16130 1 117 . 1 1 66 66 PHE H H 1 9.012 . . 1 . . . . 66 PHE HN . 16130 1 118 . 1 1 66 66 PHE C C 13 173.943 . . 1 . . . . 66 PHE C . 16130 1 119 . 1 1 66 66 PHE CA C 13 55.935 . . 1 . . . . 66 PHE CA . 16130 1 120 . 1 1 66 66 PHE CB C 13 39.931 . . 1 . . . . 66 PHE CB . 16130 1 121 . 1 1 66 66 PHE N N 15 128.125 . . 1 . . . . 66 PHE N . 16130 1 122 . 1 1 68 68 GLY CA C 13 44.973 . . 1 . . . . 68 GLY CA . 16130 1 123 . 1 1 69 69 ASP H H 1 8.213 . . 1 . . . . 69 ASP HN . 16130 1 124 . 1 1 69 69 ASP C C 13 172.940 . . 1 . . . . 69 ASP C . 16130 1 125 . 1 1 69 69 ASP CA C 13 53.397 . . 1 . . . . 69 ASP CA . 16130 1 126 . 1 1 69 69 ASP CB C 13 42.808 . . 1 . . . . 69 ASP CB . 16130 1 127 . 1 1 69 69 ASP N N 15 120.317 . . 1 . . . . 69 ASP N . 16130 1 128 . 1 1 70 70 ASN H H 1 8.628 . . 1 . . . . 70 ASN HN . 16130 1 129 . 1 1 70 70 ASN C C 13 175.329 . . 1 . . . . 70 ASN C . 16130 1 130 . 1 1 70 70 ASN CA C 13 53.397 . . 1 . . . . 70 ASN CA . 16130 1 131 . 1 1 70 70 ASN CB C 13 39.531 . . 1 . . . . 70 ASN CB . 16130 1 132 . 1 1 70 70 ASN N N 15 119.983 . . 1 . . . . 70 ASN N . 16130 1 133 . 1 1 71 71 ASN H H 1 8.628 . . 1 . . . . 71 ASN HN . 16130 1 134 . 1 1 71 71 ASN C C 13 175.329 . . 1 . . . . 71 ASN C . 16130 1 135 . 1 1 71 71 ASN CA C 13 53.684 . . 1 . . . . 71 ASN CA . 16130 1 136 . 1 1 71 71 ASN CB C 13 39.256 . . 1 . . . . 71 ASN CB . 16130 1 137 . 1 1 71 71 ASN N N 15 119.911 . . 1 . . . . 71 ASN N . 16130 1 138 . 1 1 72 72 SER H H 1 8.366 . . 1 . . . . 72 SER HN . 16130 1 139 . 1 1 72 72 SER C C 13 175.375 . . 1 . . . . 72 SER C . 16130 1 140 . 1 1 72 72 SER CA C 13 58.762 . . 1 . . . . 72 SER CA . 16130 1 141 . 1 1 72 72 SER CB C 13 64.075 . . 1 . . . . 72 SER CB . 16130 1 142 . 1 1 72 72 SER N N 15 116.045 . . 1 . . . . 72 SER N . 16130 1 143 . 1 1 73 73 LYS H H 1 8.288 . . 1 . . . . 73 LYS HN . 16130 1 144 . 1 1 73 73 LYS C C 13 174.236 . . 1 . . . . 73 LYS C . 16130 1 145 . 1 1 73 73 LYS CA C 13 54.413 . . 1 . . . . 73 LYS CA . 16130 1 146 . 1 1 73 73 LYS CB C 13 32.903 . . 1 . . . . 73 LYS CB . 16130 1 147 . 1 1 73 73 LYS N N 15 124.091 . . 1 . . . . 73 LYS N . 16130 1 148 . 1 1 75 75 LYS H H 1 8.414 . . 1 . . . . 75 LYS HN . 16130 1 149 . 1 1 75 75 LYS C C 13 176.670 . . 1 . . . . 75 LYS C . 16130 1 150 . 1 1 75 75 LYS N N 15 123.267 . . 1 . . . . 75 LYS N . 16130 1 stop_ save_