data_52904 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52904 _Entry.Title ; Backbone resonance assignment and relaxation data for Q51A apo human I-BABP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-02-12 _Entry.Accession_date 2025-02-12 _Entry.Last_release_date 2025-02-12 _Entry.Original_release_date 2025-02-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Tamara Teski . . . . 52904 2 Gergo Horvath . . . . 52904 3 Orsolya Toke . . . 0000-0002-1741-1573 52904 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'HUN-REN Research Centre for Natural Sciences, Centre for Structural Science, NMR Research Laboratory' . 52904 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52904 heteronucl_NOEs 1 52904 heteronucl_T1_relaxation 1 52904 heteronucl_T2_relaxation 1 52904 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 124 52904 '1H chemical shifts' 124 52904 'T1 relaxation values' 124 52904 'T2 relaxation values' 124 52904 'heteronuclear NOE values' 124 52904 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 . . 2025-11-15 . original BMRB . 52904 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52896 'Backbone resonance assignment and relaxation data for apo human I-BABP' 52904 BMRB 52898 ; Backbone resonance assignment and relaxation data for human ileal bile acid-binding protein complexed to glycocholate and glycochenodeoxycholate ; 52904 BMRB 52899 'Backbone resonance assignment and relaxation data for human ileal bile acid-binding protein complexed with glycocholate' 52904 BMRB 52900 ; Backbone resonance assignment and relaxation data for human ileal bile acid-binding protein complexed with glycochenodeoxycholate ; 52904 BMRB 52901 ; Backbone resonance assignment and relaxation data for Q51A human ileal bile acid-binding protein complexed with glycochenodeoxycholate ; 52904 BMRB 52903 'Backbone resonance assignment and relaxation data for Q51A human ileal bile acid-binding protein complexed with glycocholate' 52904 PDB 2MM3 'Solution NMR structure of human I-BABP complexed with glycocholate and glycochenodeoxycholate' 52904 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52904 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40268173 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Determinants of site-selectivity in human ileal bile acid-binding protein by NMR dynamic analysis of a functionally-impaired mutant ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 217 _Citation.Journal_issue 2 _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 108202 _Citation.Page_last 108202 _Citation.Year 2025 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tamara Teski . . . . 52904 1 2 Gergo Horvath . . . . 52904 1 3 Orsolya Toke . . . . 52904 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bile salts, bile acid-binding protein, ligand binding, site-selectivity' 52904 1 'protein dynamics, enterohepatic circulation, NMR spectroscopy' 52904 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 52904 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26613247 _Citation.DOI 10.1111/febs.13610 _Citation.Full_citation . _Citation.Title ; Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 283 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-4658 _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 541 _Citation.Page_last 555 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gergo Horvath G. . . . 52904 2 2 Akos Bencsura A. . . . 52904 2 3 Agnes Simon A. . . . 52904 2 4 Gregory Tochtrop G. P. . . 52904 2 5 Gregory DeKoster G. T. . . 52904 2 6 Douglas Covey D. F. . . 52904 2 7 David Cistola D. P. . . 52904 2 8 Orsolya Toke O. . . . 52904 2 stop_ save_ save_citations_3 _Citation.Sf_category citations _Citation.Sf_framecode citations_3 _Citation.Entry_ID 52904 _Citation.ID 3 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36232642 _Citation.DOI 10.3390/ijms231911346 _Citation.Full_citation . _Citation.Title ; Multiple Timescale Dynamic Analysis of Functionally-Impairing Mutations in Human Ileal Bile Acid-Binding Protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int J Mol Sci' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 23 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 . _Citation.Page_last . _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gergo Horvath G. . . . 52904 3 2 Bence Balterer B. . . . 52904 3 3 Andras Micsonai A. . . . 52904 3 4 Jozsef Kardos J. . . . 52904 3 5 Orsolya Toke O. . . . 52904 3 stop_ save_ save_citations_4 _Citation.Sf_category citations _Citation.Sf_framecode citations_4 _Citation.Entry_ID 52904 _Citation.ID 4 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 16411748 _Citation.DOI 10.1021/bi051781p _Citation.Full_citation . _Citation.Title ; Determinants of cooperativity and site selectivity in human ileal bile acid binding protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 45 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 727 _Citation.Page_last 737 _Citation.Year 2006 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Orsolya Toke O. . . . 52904 4 2 John Monsey J. D. . . 52904 4 3 Gregory DeKoster G. T. . . 52904 4 4 Gregory Tochtrop G. P. . . 52904 4 5 Changguo Tang C. . . . 52904 4 6 David Cistola D. P. . . 52904 4 stop_ save_ save_citations_5 _Citation.Sf_category citations _Citation.Sf_framecode citations_5 _Citation.Entry_ID 52904 _Citation.ID 5 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 17432832 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Kinetic mechanism of ligand binding in human ileal bile acid binding protein as determined by stopped-flow fluorescence analysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 46 _Citation.Journal_issue 18 _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 5427 _Citation.Page_last 5436 _Citation.Year 2007 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Orsolya Toke O. . . . 52904 5 2 John Monsey J. D. . . 52904 5 3 David Cistola D. P. . . 52904 5 stop_ save_ save_citations_6 _Citation.Sf_category citations _Citation.Sf_framecode citations_6 _Citation.Entry_ID 52904 _Citation.ID 6 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 22329738 _Citation.DOI 10.1021/bi201588q _Citation.Full_citation . _Citation.Title ; Internal motions and exchange processes in human ileal bile acid binding protein as studied by backbone (15)N nuclear magnetic resonance spectroscopy. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 1848 _Citation.Page_last 1861 _Citation.Year 2012 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gergo Horvath G. . . . 52904 6 2 Peter Kiraly P. . . . 52904 6 3 Gabor Tarkanyi G. . . . 52904 6 4 Orsolya Toke O. . . . 52904 6 stop_ save_ save_citations_7 _Citation.Sf_category citations _Citation.Sf_framecode citations_7 _Citation.Entry_ID 52904 _Citation.ID 7 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35008930 _Citation.DOI 10.3390/ijms23010505 _Citation.Full_citation . _Citation.Title ; Structural and Dynamic Determinants of Molecular Recognition in Bile Acid-Binding Proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int J Mol Sci' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 23 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 . _Citation.Page_last . _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Orsolya Toke O. . . . 52904 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52904 _Assembly.ID 1 _Assembly.Name 'Q51A human I-BABP apo' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Q51A human I-BABP' 1 $entity_1 . . yes native no no . . . 52904 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52904 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; AFTGKFEMESEKNYDEFMKL LGISSDVIEKARNFKIVTEV QQDGQDFTWSAHYSGGHTMT NKFTVGKESNIQTMGGKTFK ATVQMEGGKLVVNFPNYHQT SEIVGDKLVEVSTIGGVTYE RVSKRLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'mutation Q51A is indicated in the sequence' _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation Q51A _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 . 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 yes UniProt P51161 . FABP6_HUMAN . . . . . . . . . . . . . . 52904 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 . ALA . 52904 1 2 . PHE . 52904 1 3 . THR . 52904 1 4 . GLY . 52904 1 5 . LYS . 52904 1 6 . PHE . 52904 1 7 . GLU . 52904 1 8 . MET . 52904 1 9 . GLU . 52904 1 10 . SER . 52904 1 11 . GLU . 52904 1 12 . LYS . 52904 1 13 . ASN . 52904 1 14 . TYR . 52904 1 15 . ASP . 52904 1 16 . GLU . 52904 1 17 . PHE . 52904 1 18 . MET . 52904 1 19 . LYS . 52904 1 20 . LEU . 52904 1 21 . LEU . 52904 1 22 . GLY . 52904 1 23 . ILE . 52904 1 24 . SER . 52904 1 25 . SER . 52904 1 26 . ASP . 52904 1 27 . VAL . 52904 1 28 . ILE . 52904 1 29 . GLU . 52904 1 30 . LYS . 52904 1 31 . ALA . 52904 1 32 . ARG . 52904 1 33 . ASN . 52904 1 34 . PHE . 52904 1 35 . LYS . 52904 1 36 . ILE . 52904 1 37 . VAL . 52904 1 38 . THR . 52904 1 39 . GLU . 52904 1 40 . VAL . 52904 1 41 . GLN . 52904 1 42 . GLN . 52904 1 43 . ASP . 52904 1 44 . GLY . 52904 1 45 . GLN . 52904 1 46 . ASP . 52904 1 47 . PHE . 52904 1 48 . THR . 52904 1 49 . TRP . 52904 1 50 . SER . 52904 1 51 . ALA . 52904 1 52 . HIS . 52904 1 53 . TYR . 52904 1 54 . SER . 52904 1 55 . GLY . 52904 1 56 . GLY . 52904 1 57 . HIS . 52904 1 58 . THR . 52904 1 59 . MET . 52904 1 60 . THR . 52904 1 61 . ASN . 52904 1 62 . LYS . 52904 1 63 . PHE . 52904 1 64 . THR . 52904 1 65 . VAL . 52904 1 66 . GLY . 52904 1 67 . LYS . 52904 1 68 . GLU . 52904 1 69 . SER . 52904 1 70 . ASN . 52904 1 71 . ILE . 52904 1 72 . GLN . 52904 1 73 . THR . 52904 1 74 . MET . 52904 1 75 . GLY . 52904 1 76 . GLY . 52904 1 77 . LYS . 52904 1 78 . THR . 52904 1 79 . PHE . 52904 1 80 . LYS . 52904 1 81 . ALA . 52904 1 82 . THR . 52904 1 83 . VAL . 52904 1 84 . GLN . 52904 1 85 . MET . 52904 1 86 . GLU . 52904 1 87 . GLY . 52904 1 88 . GLY . 52904 1 89 . LYS . 52904 1 90 . LEU . 52904 1 91 . VAL . 52904 1 92 . VAL . 52904 1 93 . ASN . 52904 1 94 . PHE . 52904 1 95 . PRO . 52904 1 96 . ASN . 52904 1 97 . TYR . 52904 1 98 . HIS . 52904 1 99 . GLN . 52904 1 100 . THR . 52904 1 101 . SER . 52904 1 102 . GLU . 52904 1 103 . ILE . 52904 1 104 . VAL . 52904 1 105 . GLY . 52904 1 106 . ASP . 52904 1 107 . LYS . 52904 1 108 . LEU . 52904 1 109 . VAL . 52904 1 110 . GLU . 52904 1 111 . VAL . 52904 1 112 . SER . 52904 1 113 . THR . 52904 1 114 . ILE . 52904 1 115 . GLY . 52904 1 116 . GLY . 52904 1 117 . VAL . 52904 1 118 . THR . 52904 1 119 . TYR . 52904 1 120 . GLU . 52904 1 121 . ARG . 52904 1 122 . VAL . 52904 1 123 . SER . 52904 1 124 . LYS . 52904 1 125 . ARG . 52904 1 126 . LEU . 52904 1 127 . ALA . 52904 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 52904 1 . PHE 2 2 52904 1 . THR 3 3 52904 1 . GLY 4 4 52904 1 . LYS 5 5 52904 1 . PHE 6 6 52904 1 . GLU 7 7 52904 1 . MET 8 8 52904 1 . GLU 9 9 52904 1 . SER 10 10 52904 1 . GLU 11 11 52904 1 . LYS 12 12 52904 1 . ASN 13 13 52904 1 . TYR 14 14 52904 1 . ASP 15 15 52904 1 . GLU 16 16 52904 1 . PHE 17 17 52904 1 . MET 18 18 52904 1 . LYS 19 19 52904 1 . LEU 20 20 52904 1 . LEU 21 21 52904 1 . GLY 22 22 52904 1 . ILE 23 23 52904 1 . SER 24 24 52904 1 . SER 25 25 52904 1 . ASP 26 26 52904 1 . VAL 27 27 52904 1 . ILE 28 28 52904 1 . GLU 29 29 52904 1 . LYS 30 30 52904 1 . ALA 31 31 52904 1 . ARG 32 32 52904 1 . ASN 33 33 52904 1 . PHE 34 34 52904 1 . LYS 35 35 52904 1 . ILE 36 36 52904 1 . VAL 37 37 52904 1 . THR 38 38 52904 1 . GLU 39 39 52904 1 . VAL 40 40 52904 1 . GLN 41 41 52904 1 . GLN 42 42 52904 1 . ASP 43 43 52904 1 . GLY 44 44 52904 1 . GLN 45 45 52904 1 . ASP 46 46 52904 1 . PHE 47 47 52904 1 . THR 48 48 52904 1 . TRP 49 49 52904 1 . SER 50 50 52904 1 . ALA 51 51 52904 1 . HIS 52 52 52904 1 . TYR 53 53 52904 1 . SER 54 54 52904 1 . GLY 55 55 52904 1 . GLY 56 56 52904 1 . HIS 57 57 52904 1 . THR 58 58 52904 1 . MET 59 59 52904 1 . THR 60 60 52904 1 . ASN 61 61 52904 1 . LYS 62 62 52904 1 . PHE 63 63 52904 1 . THR 64 64 52904 1 . VAL 65 65 52904 1 . GLY 66 66 52904 1 . LYS 67 67 52904 1 . GLU 68 68 52904 1 . SER 69 69 52904 1 . ASN 70 70 52904 1 . ILE 71 71 52904 1 . GLN 72 72 52904 1 . THR 73 73 52904 1 . MET 74 74 52904 1 . GLY 75 75 52904 1 . GLY 76 76 52904 1 . LYS 77 77 52904 1 . THR 78 78 52904 1 . PHE 79 79 52904 1 . LYS 80 80 52904 1 . ALA 81 81 52904 1 . THR 82 82 52904 1 . VAL 83 83 52904 1 . GLN 84 84 52904 1 . MET 85 85 52904 1 . GLU 86 86 52904 1 . GLY 87 87 52904 1 . GLY 88 88 52904 1 . LYS 89 89 52904 1 . LEU 90 90 52904 1 . VAL 91 91 52904 1 . VAL 92 92 52904 1 . ASN 93 93 52904 1 . PHE 94 94 52904 1 . PRO 95 95 52904 1 . ASN 96 96 52904 1 . TYR 97 97 52904 1 . HIS 98 98 52904 1 . GLN 99 99 52904 1 . THR 100 100 52904 1 . SER 101 101 52904 1 . GLU 102 102 52904 1 . ILE 103 103 52904 1 . VAL 104 104 52904 1 . GLY 105 105 52904 1 . ASP 106 106 52904 1 . LYS 107 107 52904 1 . LEU 108 108 52904 1 . VAL 109 109 52904 1 . GLU 110 110 52904 1 . VAL 111 111 52904 1 . SER 112 112 52904 1 . THR 113 113 52904 1 . ILE 114 114 52904 1 . GLY 115 115 52904 1 . GLY 116 116 52904 1 . VAL 117 117 52904 1 . THR 118 118 52904 1 . TYR 119 119 52904 1 . GLU 120 120 52904 1 . ARG 121 121 52904 1 . VAL 122 122 52904 1 . SER 123 123 52904 1 . LYS 124 124 52904 1 . ARG 125 125 52904 1 . LEU 126 126 52904 1 . ALA 127 127 52904 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52904 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52904 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52904 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pMON5840 . . . 52904 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52904 _Sample.ID 1 _Sample.Name 'Q51A human I-BABP sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate, 50 mM KCl, and 0.05 % NaN3 at pH = 6.3' _Sample.Aggregate_sample_number 1 _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 'Q51A human I-BABP apo' '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.01 . . . 52904 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52904 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52904 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 52904 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52904 _Sample.ID 2 _Sample.Name 'Q51A human I-BABP sample 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate, 50 mM KCl, and 0.05 % NaN3 at pH = 6.3' _Sample.Aggregate_sample_number 1 _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 'Q51A human I-BABP apo' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.01 . . . 52904 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52904 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52904 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 52904 2 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 52904 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions_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' 0.02 . M 52904 1 pH 6.3 . pH 52904 1 pressure 1 . atm 52904 1 temperature 291 . K 52904 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52904 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version 4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52904 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52904 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52904 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52904 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52904 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52904 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name VNMRAS600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'VNMRAS600 Varian NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52904 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52904 1 2 '3D CBCA(CO)NH' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52904 1 3 '3D HNCACB' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52904 1 4 'T1/R1 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52904 1 5 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52904 1 6 'T2/R2 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52904 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52904 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference_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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 52904 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52904 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52904 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Q51A human I-BABP backbone HN chemical shifts' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 52904 1 2 '3D CBCA(CO)NH' . . . 52904 1 3 '3D HNCACB' . . . 52904 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52904 1 2 $software_2 . . 52904 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 PHE H H 1 9.26 0.03 . 1 . . . . . 2 PHE H . 52904 1 2 . 1 . 1 2 2 PHE N N 15 118.4 0.2 . 1 . . . . . 2 PHE N . 52904 1 3 . 1 . 1 3 3 THR H H 1 7.12 0.03 . 1 . . . . . 3 THR H . 52904 1 4 . 1 . 1 3 3 THR N N 15 109.7 0.2 . 1 . . . . . 3 THR N . 52904 1 5 . 1 . 1 4 4 GLY H H 1 8.96 0.03 . 1 . . . . . 4 GLY H . 52904 1 6 . 1 . 1 4 4 GLY N N 15 115.7 0.2 . 1 . . . . . 4 GLY N . 52904 1 7 . 1 . 1 5 5 LYS H H 1 7.79 0.03 . 1 . . . . . 5 LYS H . 52904 1 8 . 1 . 1 5 5 LYS N N 15 120.3 0.2 . 1 . . . . . 5 LYS N . 52904 1 9 . 1 . 1 6 6 PHE H H 1 9.72 0.03 . 1 . . . . . 6 PHE H . 52904 1 10 . 1 . 1 6 6 PHE N N 15 123.4 0.2 . 1 . . . . . 6 PHE N . 52904 1 11 . 1 . 1 7 7 GLU H H 1 9.30 0.03 . 1 . . . . . 7 GLU H . 52904 1 12 . 1 . 1 7 7 GLU N N 15 121.6 0.2 . 1 . . . . . 7 GLU N . 52904 1 13 . 1 . 1 8 8 MET H H 1 8.47 0.03 . 1 . . . . . 8 MET H . 52904 1 14 . 1 . 1 8 8 MET N N 15 128.6 0.2 . 1 . . . . . 8 MET N . 52904 1 15 . 1 . 1 9 9 GLU H H 1 10.32 0.03 . 1 . . . . . 9 GLU H . 52904 1 16 . 1 . 1 9 9 GLU N N 15 127.0 0.2 . 1 . . . . . 9 GLU N . 52904 1 17 . 1 . 1 10 10 SER H H 1 8.40 0.03 . 1 . . . . . 10 SER H . 52904 1 18 . 1 . 1 10 10 SER N N 15 113.8 0.2 . 1 . . . . . 10 SER N . 52904 1 19 . 1 . 1 11 11 GLU H H 1 8.49 0.03 . 1 . . . . . 11 GLU H . 52904 1 20 . 1 . 1 11 11 GLU N N 15 117.8 0.2 . 1 . . . . . 11 GLU N . 52904 1 21 . 1 . 1 12 12 LYS H H 1 8.72 0.03 . 1 . . . . . 12 LYS H . 52904 1 22 . 1 . 1 12 12 LYS N N 15 120.5 0.2 . 1 . . . . . 12 LYS N . 52904 1 23 . 1 . 1 13 13 ASN H H 1 9.09 0.03 . 1 . . . . . 13 ASN H . 52904 1 24 . 1 . 1 13 13 ASN N N 15 117.1 0.2 . 1 . . . . . 13 ASN N . 52904 1 25 . 1 . 1 14 14 TYR H H 1 8.49 0.03 . 1 . . . . . 14 TYR H . 52904 1 26 . 1 . 1 14 14 TYR N N 15 117.8 0.2 . 1 . . . . . 14 TYR N . 52904 1 27 . 1 . 1 15 15 ASP H H 1 8.57 0.03 . 1 . . . . . 15 ASP H . 52904 1 28 . 1 . 1 15 15 ASP N N 15 117.5 0.2 . 1 . . . . . 15 ASP N . 52904 1 29 . 1 . 1 16 16 GLU H H 1 8.87 0.03 . 1 . . . . . 16 GLU H . 52904 1 30 . 1 . 1 16 16 GLU N N 15 117.6 0.2 . 1 . . . . . 16 GLU N . 52904 1 31 . 1 . 1 17 17 PHE H H 1 7.90 0.03 . 1 . . . . . 17 PHE H . 52904 1 32 . 1 . 1 17 17 PHE N N 15 118.4 0.2 . 1 . . . . . 17 PHE N . 52904 1 33 . 1 . 1 18 18 MET H H 1 8.17 0.03 . 1 . . . . . 18 MET H . 52904 1 34 . 1 . 1 18 18 MET N N 15 114.5 0.2 . 1 . . . . . 18 MET N . 52904 1 35 . 1 . 1 19 19 LYS H H 1 7.66 0.03 . 1 . . . . . 19 LYS H . 52904 1 36 . 1 . 1 19 19 LYS N N 15 118.2 0.2 . 1 . . . . . 19 LYS N . 52904 1 37 . 1 . 1 20 20 LEU H H 1 7.46 0.03 . 1 . . . . . 20 LEU H . 52904 1 38 . 1 . 1 20 20 LEU N N 15 122.3 0.2 . 1 . . . . . 20 LEU N . 52904 1 39 . 1 . 1 21 21 LEU H H 1 7.58 0.03 . 1 . . . . . 21 LEU H . 52904 1 40 . 1 . 1 21 21 LEU N N 15 118.8 0.2 . 1 . . . . . 21 LEU N . 52904 1 41 . 1 . 1 22 22 GLY H H 1 7.65 0.03 . 1 . . . . . 22 GLY H . 52904 1 42 . 1 . 1 22 22 GLY N N 15 106.1 0.2 . 1 . . . . . 22 GLY N . 52904 1 43 . 1 . 1 23 23 ILE H H 1 7.27 0.03 . 1 . . . . . 23 ILE H . 52904 1 44 . 1 . 1 23 23 ILE N N 15 122.1 0.2 . 1 . . . . . 23 ILE N . 52904 1 45 . 1 . 1 24 24 SER H H 1 8.45 0.03 . 1 . . . . . 24 SER H . 52904 1 46 . 1 . 1 24 24 SER N N 15 122.1 0.2 . 1 . . . . . 24 SER N . 52904 1 47 . 1 . 1 25 25 SER H H 1 8.96 0.03 . 1 . . . . . 25 SER H . 52904 1 48 . 1 . 1 25 25 SER N N 15 119.2 0.2 . 1 . . . . . 25 SER N . 52904 1 49 . 1 . 1 26 26 ASP H H 1 8.65 0.03 . 1 . . . . . 26 ASP H . 52904 1 50 . 1 . 1 26 26 ASP N N 15 119.6 0.2 . 1 . . . . . 26 ASP N . 52904 1 51 . 1 . 1 27 27 VAL H H 1 7.17 0.03 . 1 . . . . . 27 VAL H . 52904 1 52 . 1 . 1 27 27 VAL N N 15 122.6 0.2 . 1 . . . . . 27 VAL N . 52904 1 53 . 1 . 1 28 28 ILE H H 1 8.04 0.03 . 1 . . . . . 28 ILE H . 52904 1 54 . 1 . 1 28 28 ILE N N 15 120.3 0.2 . 1 . . . . . 28 ILE N . 52904 1 55 . 1 . 1 29 29 GLU H H 1 8.00 0.03 . 1 . . . . . 29 GLU H . 52904 1 56 . 1 . 1 29 29 GLU N N 15 117.4 0.2 . 1 . . . . . 29 GLU N . 52904 1 57 . 1 . 1 30 30 LYS H H 1 7.88 0.03 . 1 . . . . . 30 LYS H . 52904 1 58 . 1 . 1 30 30 LYS N N 15 119.1 0.2 . 1 . . . . . 30 LYS N . 52904 1 59 . 1 . 1 31 31 ALA H H 1 7.88 0.03 . 1 . . . . . 31 ALA H . 52904 1 60 . 1 . 1 31 31 ALA N N 15 119.1 0.2 . 1 . . . . . 31 ALA N . 52904 1 61 . 1 . 1 32 32 ARG H H 1 7.30 0.03 . 1 . . . . . 32 ARG H . 52904 1 62 . 1 . 1 32 32 ARG N N 15 121.8 0.2 . 1 . . . . . 32 ARG N . 52904 1 63 . 1 . 1 33 33 ASN H H 1 9.51 0.03 . 1 . . . . . 33 ASN H . 52904 1 64 . 1 . 1 33 33 ASN N N 15 120.0 0.2 . 1 . . . . . 33 ASN N . 52904 1 65 . 1 . 1 34 34 PHE H H 1 7.81 0.03 . 1 . . . . . 34 PHE H . 52904 1 66 . 1 . 1 34 34 PHE N N 15 121.8 0.2 . 1 . . . . . 34 PHE N . 52904 1 67 . 1 . 1 35 35 LYS H H 1 7.83 0.03 . 1 . . . . . 35 LYS H . 52904 1 68 . 1 . 1 35 35 LYS N N 15 127.9 0.2 . 1 . . . . . 35 LYS N . 52904 1 69 . 1 . 1 36 36 ILE H H 1 7.27 0.03 . 1 . . . . . 36 ILE H . 52904 1 70 . 1 . 1 36 36 ILE N N 15 127.9 0.2 . 1 . . . . . 36 ILE N . 52904 1 71 . 1 . 1 37 37 VAL H H 1 7.78 0.03 . 1 . . . . . 37 VAL H . 52904 1 72 . 1 . 1 37 37 VAL N N 15 131.4 0.2 . 1 . . . . . 37 VAL N . 52904 1 73 . 1 . 1 38 38 THR H H 1 9.27 0.03 . 1 . . . . . 38 THR H . 52904 1 74 . 1 . 1 38 38 THR N N 15 126.8 0.2 . 1 . . . . . 38 THR N . 52904 1 75 . 1 . 1 39 39 GLU H H 1 9.59 0.03 . 1 . . . . . 39 GLU H . 52904 1 76 . 1 . 1 39 39 GLU N N 15 126.8 0.2 . 1 . . . . . 39 GLU N . 52904 1 77 . 1 . 1 40 40 VAL H H 1 9.28 0.03 . 1 . . . . . 40 VAL H . 52904 1 78 . 1 . 1 40 40 VAL N N 15 125.5 0.2 . 1 . . . . . 40 VAL N . 52904 1 79 . 1 . 1 41 41 GLN H H 1 8.95 0.03 . 1 . . . . . 41 GLN H . 52904 1 80 . 1 . 1 41 41 GLN N N 15 127.2 0.2 . 1 . . . . . 41 GLN N . 52904 1 81 . 1 . 1 42 42 GLN H H 1 8.26 0.03 . 1 . . . . . 42 GLN H . 52904 1 82 . 1 . 1 42 42 GLN N N 15 128.6 0.2 . 1 . . . . . 42 GLN N . 52904 1 83 . 1 . 1 43 43 ASP H H 1 8.84 0.03 . 1 . . . . . 43 ASP H . 52904 1 84 . 1 . 1 43 43 ASP N N 15 129.0 0.2 . 1 . . . . . 43 ASP N . 52904 1 85 . 1 . 1 44 44 GLY H H 1 8.88 0.03 . 1 . . . . . 44 GLY H . 52904 1 86 . 1 . 1 44 44 GLY N N 15 114.8 0.2 . 1 . . . . . 44 GLY N . 52904 1 87 . 1 . 1 45 45 GLN H H 1 8.99 0.03 . 1 . . . . . 45 GLN H . 52904 1 88 . 1 . 1 45 45 GLN N N 15 126.0 0.2 . 1 . . . . . 45 GLN N . 52904 1 89 . 1 . 1 46 46 ASP H H 1 8.04 0.03 . 1 . . . . . 46 ASP H . 52904 1 90 . 1 . 1 46 46 ASP N N 15 120.3 0.2 . 1 . . . . . 46 ASP N . 52904 1 91 . 1 . 1 47 47 PHE H H 1 9.36 0.03 . 1 . . . . . 47 PHE H . 52904 1 92 . 1 . 1 47 47 PHE N N 15 121.3 0.2 . 1 . . . . . 47 PHE N . 52904 1 93 . 1 . 1 48 48 THR H H 1 8.68 0.03 . 1 . . . . . 48 THR H . 52904 1 94 . 1 . 1 48 48 THR N N 15 117.5 0.2 . 1 . . . . . 48 THR N . 52904 1 95 . 1 . 1 49 49 TRP H H 1 9.63 0.03 . 1 . . . . . 49 TRP H . 52904 1 96 . 1 . 1 49 49 TRP N N 15 132.5 0.2 . 1 . . . . . 49 TRP N . 52904 1 97 . 1 . 1 50 50 SER H H 1 9.37 0.03 . 1 . . . . . 50 SER H . 52904 1 98 . 1 . 1 50 50 SER N N 15 125.6 0.2 . 1 . . . . . 50 SER N . 52904 1 99 . 1 . 1 52 52 HIS H H 1 9.22 0.03 . 1 . . . . . 52 HIS H . 52904 1 100 . 1 . 1 52 52 HIS N N 15 122.5 0.2 . 1 . . . . . 52 HIS N . 52904 1 101 . 1 . 1 53 53 TYR H H 1 8.66 0.03 . 1 . . . . . 53 TYR H . 52904 1 102 . 1 . 1 53 53 TYR N N 15 121.9 0.2 . 1 . . . . . 53 TYR N . 52904 1 103 . 1 . 1 54 54 SER H H 1 8.35 0.03 . 1 . . . . . 54 SER H . 52904 1 104 . 1 . 1 54 54 SER N N 15 115.1 0.2 . 1 . . . . . 54 SER N . 52904 1 105 . 1 . 1 55 55 GLY H H 1 8.49 0.03 . 1 . . . . . 55 GLY H . 52904 1 106 . 1 . 1 55 55 GLY N N 15 111.8 0.2 . 1 . . . . . 55 GLY N . 52904 1 107 . 1 . 1 56 56 GLY H H 1 8.09 0.03 . 1 . . . . . 56 GLY H . 52904 1 108 . 1 . 1 56 56 GLY N N 15 107.3 0.2 . 1 . . . . . 56 GLY N . 52904 1 109 . 1 . 1 57 57 HIS H H 1 6.84 0.03 . 1 . . . . . 57 HIS H . 52904 1 110 . 1 . 1 57 57 HIS N N 15 119.4 0.2 . 1 . . . . . 57 HIS N . 52904 1 111 . 1 . 1 58 58 THR H H 1 8.67 0.03 . 1 . . . . . 58 THR H . 52904 1 112 . 1 . 1 58 58 THR N N 15 123.0 0.2 . 1 . . . . . 58 THR N . 52904 1 113 . 1 . 1 59 59 MET H H 1 9.06 0.03 . 1 . . . . . 59 MET H . 52904 1 114 . 1 . 1 59 59 MET N N 15 127.6 0.2 . 1 . . . . . 59 MET N . 52904 1 115 . 1 . 1 60 60 THR H H 1 9.13 0.03 . 1 . . . . . 60 THR H . 52904 1 116 . 1 . 1 60 60 THR N N 15 126.0 0.2 . 1 . . . . . 60 THR N . 52904 1 117 . 1 . 1 61 61 ASN H H 1 9.44 0.03 . 1 . . . . . 61 ASN H . 52904 1 118 . 1 . 1 61 61 ASN N N 15 124.8 0.2 . 1 . . . . . 61 ASN N . 52904 1 119 . 1 . 1 62 62 LYS H H 1 8.97 0.03 . 1 . . . . . 62 LYS H . 52904 1 120 . 1 . 1 62 62 LYS N N 15 123.1 0.2 . 1 . . . . . 62 LYS N . 52904 1 121 . 1 . 1 63 63 PHE H H 1 8.36 0.03 . 1 . . . . . 63 PHE H . 52904 1 122 . 1 . 1 63 63 PHE N N 15 119.0 0.2 . 1 . . . . . 63 PHE N . 52904 1 123 . 1 . 1 64 64 THR H H 1 9.32 0.03 . 1 . . . . . 64 THR H . 52904 1 124 . 1 . 1 64 64 THR N N 15 119.8 0.2 . 1 . . . . . 64 THR N . 52904 1 125 . 1 . 1 65 65 VAL H H 1 9.16 0.03 . 1 . . . . . 65 VAL H . 52904 1 126 . 1 . 1 65 65 VAL N N 15 128.2 0.2 . 1 . . . . . 65 VAL N . 52904 1 127 . 1 . 1 66 66 GLY H H 1 9.09 0.03 . 1 . . . . . 66 GLY H . 52904 1 128 . 1 . 1 66 66 GLY N N 15 112.4 0.2 . 1 . . . . . 66 GLY N . 52904 1 129 . 1 . 1 67 67 LYS H H 1 8.05 0.03 . 1 . . . . . 67 LYS H . 52904 1 130 . 1 . 1 67 67 LYS N N 15 121.0 0.2 . 1 . . . . . 67 LYS N . 52904 1 131 . 1 . 1 68 68 GLU H H 1 8.84 0.03 . 1 . . . . . 68 GLU H . 52904 1 132 . 1 . 1 68 68 GLU N N 15 129.0 0.2 . 1 . . . . . 68 GLU N . 52904 1 133 . 1 . 1 69 69 SER H H 1 8.99 0.03 . 1 . . . . . 69 SER H . 52904 1 134 . 1 . 1 69 69 SER N N 15 120.4 0.2 . 1 . . . . . 69 SER N . 52904 1 135 . 1 . 1 70 70 ASN H H 1 8.62 0.03 . 1 . . . . . 70 ASN H . 52904 1 136 . 1 . 1 70 70 ASN N N 15 119.8 0.2 . 1 . . . . . 70 ASN N . 52904 1 137 . 1 . 1 71 71 ILE H H 1 9.35 0.03 . 1 . . . . . 71 ILE H . 52904 1 138 . 1 . 1 71 71 ILE N N 15 127.8 0.2 . 1 . . . . . 71 ILE N . 52904 1 139 . 1 . 1 72 72 GLN H H 1 9.24 0.03 . 1 . . . . . 72 GLN H . 52904 1 140 . 1 . 1 72 72 GLN N N 15 127.1 0.2 . 1 . . . . . 72 GLN N . 52904 1 141 . 1 . 1 73 73 THR H H 1 8.34 0.03 . 1 . . . . . 73 THR H . 52904 1 142 . 1 . 1 73 73 THR N N 15 115.7 0.2 . 1 . . . . . 73 THR N . 52904 1 143 . 1 . 1 74 74 MET H H 1 8.78 0.03 . 1 . . . . . 74 MET H . 52904 1 144 . 1 . 1 74 74 MET N N 15 119.1 0.2 . 1 . . . . . 74 MET N . 52904 1 145 . 1 . 1 75 75 GLY H H 1 8.51 0.03 . 1 . . . . . 75 GLY H . 52904 1 146 . 1 . 1 75 75 GLY N N 15 108.5 0.2 . 1 . . . . . 75 GLY N . 52904 1 147 . 1 . 1 76 76 GLY H H 1 8.21 0.03 . 1 . . . . . 76 GLY H . 52904 1 148 . 1 . 1 76 76 GLY N N 15 107.0 0.2 . 1 . . . . . 76 GLY N . 52904 1 149 . 1 . 1 77 77 LYS H H 1 7.12 0.03 . 1 . . . . . 77 LYS H . 52904 1 150 . 1 . 1 77 77 LYS N N 15 119.6 0.2 . 1 . . . . . 77 LYS N . 52904 1 151 . 1 . 1 78 78 THR H H 1 8.05 0.03 . 1 . . . . . 78 THR H . 52904 1 152 . 1 . 1 78 78 THR N N 15 119.3 0.2 . 1 . . . . . 78 THR N . 52904 1 153 . 1 . 1 79 79 PHE H H 1 8.65 0.03 . 1 . . . . . 79 PHE H . 52904 1 154 . 1 . 1 79 79 PHE N N 15 123.5 0.2 . 1 . . . . . 79 PHE N . 52904 1 155 . 1 . 1 80 80 LYS H H 1 8.66 0.03 . 1 . . . . . 80 LYS H . 52904 1 156 . 1 . 1 80 80 LYS N N 15 121.9 0.2 . 1 . . . . . 80 LYS N . 52904 1 157 . 1 . 1 81 81 ALA H H 1 9.23 0.03 . 1 . . . . . 81 ALA H . 52904 1 158 . 1 . 1 81 81 ALA N N 15 129.0 0.2 . 1 . . . . . 81 ALA N . 52904 1 159 . 1 . 1 82 82 THR H H 1 8.29 0.03 . 1 . . . . . 82 THR H . 52904 1 160 . 1 . 1 82 82 THR N N 15 116.1 0.2 . 1 . . . . . 82 THR N . 52904 1 161 . 1 . 1 83 83 VAL H H 1 9.44 0.03 . 1 . . . . . 83 VAL H . 52904 1 162 . 1 . 1 83 83 VAL N N 15 130.5 0.2 . 1 . . . . . 83 VAL N . 52904 1 163 . 1 . 1 84 84 GLN H H 1 8.69 0.03 . 1 . . . . . 84 GLN H . 52904 1 164 . 1 . 1 84 84 GLN N N 15 125.0 0.2 . 1 . . . . . 84 GLN N . 52904 1 165 . 1 . 1 85 85 MET H H 1 8.82 0.03 . 1 . . . . . 85 MET H . 52904 1 166 . 1 . 1 85 85 MET N N 15 121.1 0.2 . 1 . . . . . 85 MET N . 52904 1 167 . 1 . 1 86 86 GLU H H 1 9.15 0.03 . 1 . . . . . 86 GLU H . 52904 1 168 . 1 . 1 86 86 GLU N N 15 127.8 0.2 . 1 . . . . . 86 GLU N . 52904 1 169 . 1 . 1 87 87 GLY H H 1 9.25 0.03 . 1 . . . . . 87 GLY H . 52904 1 170 . 1 . 1 87 87 GLY N N 15 118.1 0.2 . 1 . . . . . 87 GLY N . 52904 1 171 . 1 . 1 88 88 GLY H H 1 8.72 0.03 . 1 . . . . . 88 GLY H . 52904 1 172 . 1 . 1 88 88 GLY N N 15 112.3 0.2 . 1 . . . . . 88 GLY N . 52904 1 173 . 1 . 1 89 89 LYS H H 1 7.91 0.03 . 1 . . . . . 89 LYS H . 52904 1 174 . 1 . 1 89 89 LYS N N 15 120.3 0.2 . 1 . . . . . 89 LYS N . 52904 1 175 . 1 . 1 90 90 LEU H H 1 8.96 0.03 . 1 . . . . . 90 LEU H . 52904 1 176 . 1 . 1 90 90 LEU N N 15 123.5 0.2 . 1 . . . . . 90 LEU N . 52904 1 177 . 1 . 1 91 91 VAL H H 1 9.10 0.03 . 1 . . . . . 91 VAL H . 52904 1 178 . 1 . 1 91 91 VAL N N 15 123.7 0.2 . 1 . . . . . 91 VAL N . 52904 1 179 . 1 . 1 92 92 VAL H H 1 8.65 0.03 . 1 . . . . . 92 VAL H . 52904 1 180 . 1 . 1 92 92 VAL N N 15 125.2 0.2 . 1 . . . . . 92 VAL N . 52904 1 181 . 1 . 1 93 93 ASN H H 1 8.26 0.03 . 1 . . . . . 93 ASN H . 52904 1 182 . 1 . 1 93 93 ASN N N 15 125.7 0.2 . 1 . . . . . 93 ASN N . 52904 1 183 . 1 . 1 94 94 PHE H H 1 7.84 0.03 . 1 . . . . . 94 PHE H . 52904 1 184 . 1 . 1 94 94 PHE N N 15 123.5 0.2 . 1 . . . . . 94 PHE N . 52904 1 185 . 1 . 1 96 96 ASN H H 1 8.06 0.03 . 1 . . . . . 96 ASN H . 52904 1 186 . 1 . 1 96 96 ASN N N 15 108.5 0.2 . 1 . . . . . 96 ASN N . 52904 1 187 . 1 . 1 97 97 TYR H H 1 7.18 0.03 . 1 . . . . . 97 TYR H . 52904 1 188 . 1 . 1 97 97 TYR N N 15 114.4 0.2 . 1 . . . . . 97 TYR N . 52904 1 189 . 1 . 1 98 98 HIS H H 1 8.69 0.03 . 1 . . . . . 98 HIS H . 52904 1 190 . 1 . 1 98 98 HIS N N 15 118.7 0.2 . 1 . . . . . 98 HIS N . 52904 1 191 . 1 . 1 99 99 GLN H H 1 8.86 0.03 . 1 . . . . . 99 GLN H . 52904 1 192 . 1 . 1 99 99 GLN N N 15 128.0 0.2 . 1 . . . . . 99 GLN N . 52904 1 193 . 1 . 1 100 100 THR H H 1 9.21 0.03 . 1 . . . . . 100 THR H . 52904 1 194 . 1 . 1 100 100 THR N N 15 117.8 0.2 . 1 . . . . . 100 THR N . 52904 1 195 . 1 . 1 101 101 SER H H 1 8.89 0.03 . 1 . . . . . 101 SER H . 52904 1 196 . 1 . 1 101 101 SER N N 15 118.0 0.2 . 1 . . . . . 101 SER N . 52904 1 197 . 1 . 1 102 102 GLU H H 1 9.12 0.03 . 1 . . . . . 102 GLU H . 52904 1 198 . 1 . 1 102 102 GLU N N 15 124.8 0.2 . 1 . . . . . 102 GLU N . 52904 1 199 . 1 . 1 103 103 ILE H H 1 8.50 0.03 . 1 . . . . . 103 ILE H . 52904 1 200 . 1 . 1 103 103 ILE N N 15 125.3 0.2 . 1 . . . . . 103 ILE N . 52904 1 201 . 1 . 1 104 104 VAL H H 1 9.11 0.03 . 1 . . . . . 104 VAL H . 52904 1 202 . 1 . 1 104 104 VAL N N 15 130.5 0.2 . 1 . . . . . 104 VAL N . 52904 1 203 . 1 . 1 105 105 GLY H H 1 9.25 0.03 . 1 . . . . . 105 GLY H . 52904 1 204 . 1 . 1 105 105 GLY N N 15 120.1 0.2 . 1 . . . . . 105 GLY N . 52904 1 205 . 1 . 1 106 106 ASP H H 1 8.66 0.03 . 1 . . . . . 106 ASP H . 52904 1 206 . 1 . 1 106 106 ASP N N 15 122.6 0.2 . 1 . . . . . 106 ASP N . 52904 1 207 . 1 . 1 107 107 LYS H H 1 7.82 0.03 . 1 . . . . . 107 LYS H . 52904 1 208 . 1 . 1 107 107 LYS N N 15 116.8 0.2 . 1 . . . . . 107 LYS N . 52904 1 209 . 1 . 1 108 108 LEU H H 1 8.58 0.03 . 1 . . . . . 108 LEU H . 52904 1 210 . 1 . 1 108 108 LEU N N 15 122.7 0.2 . 1 . . . . . 108 LEU N . 52904 1 211 . 1 . 1 109 109 VAL H H 1 9.58 0.03 . 1 . . . . . 109 VAL H . 52904 1 212 . 1 . 1 109 109 VAL N N 15 130.6 0.2 . 1 . . . . . 109 VAL N . 52904 1 213 . 1 . 1 110 110 GLU H H 1 9.26 0.03 . 1 . . . . . 110 GLU H . 52904 1 214 . 1 . 1 110 110 GLU N N 15 129.7 0.2 . 1 . . . . . 110 GLU N . 52904 1 215 . 1 . 1 111 111 VAL H H 1 8.94 0.03 . 1 . . . . . 111 VAL H . 52904 1 216 . 1 . 1 111 111 VAL N N 15 126.9 0.2 . 1 . . . . . 111 VAL N . 52904 1 217 . 1 . 1 112 112 SER H H 1 9.48 0.03 . 1 . . . . . 112 SER H . 52904 1 218 . 1 . 1 112 112 SER N N 15 126.4 0.2 . 1 . . . . . 112 SER N . 52904 1 219 . 1 . 1 113 113 THR H H 1 9.62 0.03 . 1 . . . . . 113 THR H . 52904 1 220 . 1 . 1 113 113 THR N N 15 118.4 0.2 . 1 . . . . . 113 THR N . 52904 1 221 . 1 . 1 114 114 ILE H H 1 8.92 0.03 . 1 . . . . . 114 ILE H . 52904 1 222 . 1 . 1 114 114 ILE N N 15 127.3 0.2 . 1 . . . . . 114 ILE N . 52904 1 223 . 1 . 1 115 115 GLY H H 1 8.98 0.03 . 1 . . . . . 115 GLY H . 52904 1 224 . 1 . 1 115 115 GLY N N 15 117.0 0.2 . 1 . . . . . 115 GLY N . 52904 1 225 . 1 . 1 116 116 GLY H H 1 8.73 0.03 . 1 . . . . . 116 GLY H . 52904 1 226 . 1 . 1 116 116 GLY N N 15 110.7 0.2 . 1 . . . . . 116 GLY N . 52904 1 227 . 1 . 1 117 117 VAL H H 1 8.45 0.03 . 1 . . . . . 117 VAL H . 52904 1 228 . 1 . 1 117 117 VAL N N 15 124.5 0.2 . 1 . . . . . 117 VAL N . 52904 1 229 . 1 . 1 118 118 THR H H 1 8.58 0.03 . 1 . . . . . 118 THR H . 52904 1 230 . 1 . 1 118 118 THR N N 15 122.7 0.2 . 1 . . . . . 118 THR N . 52904 1 231 . 1 . 1 119 119 TYR H H 1 9.39 0.03 . 1 . . . . . 119 TYR H . 52904 1 232 . 1 . 1 119 119 TYR N N 15 129.7 0.2 . 1 . . . . . 119 TYR N . 52904 1 233 . 1 . 1 120 120 GLU H H 1 7.49 0.03 . 1 . . . . . 120 GLU H . 52904 1 234 . 1 . 1 120 120 GLU N N 15 126.7 0.2 . 1 . . . . . 120 GLU N . 52904 1 235 . 1 . 1 121 121 ARG H H 1 9.00 0.03 . 1 . . . . . 121 ARG H . 52904 1 236 . 1 . 1 121 121 ARG N N 15 126.3 0.2 . 1 . . . . . 121 ARG N . 52904 1 237 . 1 . 1 122 122 VAL H H 1 8.98 0.03 . 1 . . . . . 122 VAL H . 52904 1 238 . 1 . 1 122 122 VAL N N 15 128.9 0.2 . 1 . . . . . 122 VAL N . 52904 1 239 . 1 . 1 123 123 SER H H 1 9.64 0.03 . 1 . . . . . 123 SER H . 52904 1 240 . 1 . 1 123 123 SER N N 15 123.7 0.2 . 1 . . . . . 123 SER N . 52904 1 241 . 1 . 1 124 124 LYS H H 1 8.86 0.03 . 1 . . . . . 124 LYS H . 52904 1 242 . 1 . 1 124 124 LYS N N 15 124.9 0.2 . 1 . . . . . 124 LYS N . 52904 1 243 . 1 . 1 125 125 ARG H H 1 9.13 0.03 . 1 . . . . . 125 ARG H . 52904 1 244 . 1 . 1 125 125 ARG N N 15 124.8 0.2 . 1 . . . . . 125 ARG N . 52904 1 245 . 1 . 1 126 126 LEU H H 1 9.27 0.03 . 1 . . . . . 126 LEU H . 52904 1 246 . 1 . 1 126 126 LEU N N 15 128.5 0.2 . 1 . . . . . 126 LEU N . 52904 1 247 . 1 . 1 127 127 ALA H H 1 7.91 0.03 . 1 . . . . . 127 ALA H . 52904 1 248 . 1 . 1 127 127 ALA N N 15 129.0 0.2 . 1 . . . . . 127 ALA N . 52904 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 52904 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'Q51A human I-BABP {1H}-15N NOE' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 5 '1H-15N heteronoe' . . . 52904 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 52904 1 3 $software_3 . . 52904 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 PHE N N 15 . 1 1 2 2 PHE H H 1 0.713 0.036 . . . . . . . . . . 52904 1 2 . 1 1 3 3 THR N N 15 . 1 1 3 3 THR H H 1 0.713 0.036 . . . . . . . . . . 52904 1 3 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.804 0.040 . . . . . . . . . . 52904 1 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.765 0.038 . . . . . . . . . . 52904 1 5 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.773 0.039 . . . . . . . . . . 52904 1 6 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.713 0.036 . . . . . . . . . . 52904 1 7 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.956 0.048 . . . . . . . . . . 52904 1 8 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.963 0.048 . . . . . . . . . . 52904 1 9 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.728 0.036 . . . . . . . . . . 52904 1 10 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.805 0.040 . . . . . . . . . . 52904 1 11 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.743 0.037 . . . . . . . . . . 52904 1 12 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.796 0.040 . . . . . . . . . . 52904 1 13 . 1 1 14 14 TYR N N 15 . 1 1 14 14 TYR H H 1 0.805 0.040 . . . . . . . . . . 52904 1 14 . 1 1 15 15 ASP N N 15 . 1 1 15 15 ASP H H 1 0.788 0.039 . . . . . . . . . . 52904 1 15 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.746 0.037 . . . . . . . . . . 52904 1 16 . 1 1 17 17 PHE N N 15 . 1 1 17 17 PHE H H 1 0.834 0.042 . . . . . . . . . . 52904 1 17 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.750 0.037 . . . . . . . . . . 52904 1 18 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.749 0.037 . . . . . . . . . . 52904 1 19 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.785 0.039 . . . . . . . . . . 52904 1 20 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.818 0.041 . . . . . . . . . . 52904 1 21 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.877 0.044 . . . . . . . . . . 52904 1 22 . 1 1 23 23 ILE N N 15 . 1 1 23 23 ILE H H 1 0.874 0.044 . . . . . . . . . . 52904 1 23 . 1 1 24 24 SER N N 15 . 1 1 24 24 SER H H 1 0.796 0.040 . . . . . . . . . . 52904 1 24 . 1 1 25 25 SER N N 15 . 1 1 25 25 SER H H 1 0.784 0.039 . . . . . . . . . . 52904 1 25 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.827 0.041 . . . . . . . . . . 52904 1 26 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.858 0.043 . . . . . . . . . . 52904 1 27 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.941 0.047 . . . . . . . . . . 52904 1 28 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 0.674 0.034 . . . . . . . . . . 52904 1 29 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.702 0.035 . . . . . . . . . . 52904 1 30 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.393 0.020 . . . . . . . . . . 52904 1 31 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.874 0.044 . . . . . . . . . . 52904 1 32 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.853 0.043 . . . . . . . . . . 52904 1 33 . 1 1 34 34 PHE N N 15 . 1 1 34 34 PHE H H 1 0.892 0.045 . . . . . . . . . . 52904 1 34 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.672 0.034 . . . . . . . . . . 52904 1 35 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.789 0.039 . . . . . . . . . . 52904 1 36 . 1 1 37 37 VAL N N 15 . 1 1 37 37 VAL H H 1 0.859 0.043 . . . . . . . . . . 52904 1 37 . 1 1 38 38 THR N N 15 . 1 1 38 38 THR H H 1 0.716 0.036 . . . . . . . . . . 52904 1 38 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.920 0.046 . . . . . . . . . . 52904 1 39 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.880 0.044 . . . . . . . . . . 52904 1 40 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.981 0.049 . . . . . . . . . . 52904 1 41 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.781 0.039 . . . . . . . . . . 52904 1 42 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.882 0.044 . . . . . . . . . . 52904 1 43 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.716 0.036 . . . . . . . . . . 52904 1 44 . 1 1 45 45 GLN N N 15 . 1 1 45 45 GLN H H 1 0.699 0.035 . . . . . . . . . . 52904 1 45 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.955 0.048 . . . . . . . . . . 52904 1 46 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.864 0.043 . . . . . . . . . . 52904 1 47 . 1 1 48 48 THR N N 15 . 1 1 48 48 THR H H 1 0.627 0.031 . . . . . . . . . . 52904 1 48 . 1 1 49 49 TRP N N 15 . 1 1 49 49 TRP H H 1 0.805 0.040 . . . . . . . . . . 52904 1 49 . 1 1 50 50 SER N N 15 . 1 1 50 50 SER H H 1 0.921 0.046 . . . . . . . . . . 52904 1 50 . 1 1 52 52 HIS N N 15 . 1 1 52 52 HIS H H 1 0.741 0.037 . . . . . . . . . . 52904 1 51 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.788 0.039 . . . . . . . . . . 52904 1 52 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.799 0.040 . . . . . . . . . . 52904 1 53 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.841 0.042 . . . . . . . . . . 52904 1 54 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.529 0.026 . . . . . . . . . . 52904 1 55 . 1 1 57 57 HIS N N 15 . 1 1 57 57 HIS H H 1 0.766 0.038 . . . . . . . . . . 52904 1 56 . 1 1 58 58 THR N N 15 . 1 1 58 58 THR H H 1 0.752 0.038 . . . . . . . . . . 52904 1 57 . 1 1 59 59 MET N N 15 . 1 1 59 59 MET H H 1 0.821 0.041 . . . . . . . . . . 52904 1 58 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.833 0.042 . . . . . . . . . . 52904 1 59 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.940 0.047 . . . . . . . . . . 52904 1 60 . 1 1 62 62 LYS N N 15 . 1 1 62 62 LYS H H 1 0.762 0.038 . . . . . . . . . . 52904 1 61 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.753 0.038 . . . . . . . . . . 52904 1 62 . 1 1 64 64 THR N N 15 . 1 1 64 64 THR H H 1 0.817 0.041 . . . . . . . . . . 52904 1 63 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.824 0.041 . . . . . . . . . . 52904 1 64 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.787 0.039 . . . . . . . . . . 52904 1 65 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.732 0.037 . . . . . . . . . . 52904 1 66 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.882 0.044 . . . . . . . . . . 52904 1 67 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER H H 1 0.768 0.038 . . . . . . . . . . 52904 1 68 . 1 1 70 70 ASN N N 15 . 1 1 70 70 ASN H H 1 0.644 0.032 . . . . . . . . . . 52904 1 69 . 1 1 71 71 ILE N N 15 . 1 1 71 71 ILE H H 1 0.733 0.037 . . . . . . . . . . 52904 1 70 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.929 0.046 . . . . . . . . . . 52904 1 71 . 1 1 73 73 THR N N 15 . 1 1 73 73 THR H H 1 0.749 0.037 . . . . . . . . . . 52904 1 72 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.725 0.036 . . . . . . . . . . 52904 1 73 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.522 0.026 . . . . . . . . . . 52904 1 74 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 0.818 0.041 . . . . . . . . . . 52904 1 75 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 0.506 0.025 . . . . . . . . . . 52904 1 76 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.687 0.034 . . . . . . . . . . 52904 1 77 . 1 1 79 79 PHE N N 15 . 1 1 79 79 PHE H H 1 0.811 0.041 . . . . . . . . . . 52904 1 78 . 1 1 80 80 LYS N N 15 . 1 1 80 80 LYS H H 1 0.795 0.052 . . . . . . . . . . 52904 1 79 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.944 0.047 . . . . . . . . . . 52904 1 80 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.742 0.037 . . . . . . . . . . 52904 1 81 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.837 0.042 . . . . . . . . . . 52904 1 82 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.830 0.042 . . . . . . . . . . 52904 1 83 . 1 1 85 85 MET N N 15 . 1 1 85 85 MET H H 1 0.772 0.039 . . . . . . . . . . 52904 1 84 . 1 1 86 86 GLU N N 15 . 1 1 86 86 GLU H H 1 0.779 0.039 . . . . . . . . . . 52904 1 85 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.608 0.030 . . . . . . . . . . 52904 1 86 . 1 1 88 88 GLY N N 15 . 1 1 88 88 GLY H H 1 0.859 0.043 . . . . . . . . . . 52904 1 87 . 1 1 89 89 LYS N N 15 . 1 1 89 89 LYS H H 1 0.707 0.035 . . . . . . . . . . 52904 1 88 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.623 0.031 . . . . . . . . . . 52904 1 89 . 1 1 91 91 VAL N N 15 . 1 1 91 91 VAL H H 1 0.675 0.034 . . . . . . . . . . 52904 1 90 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.740 0.037 . . . . . . . . . . 52904 1 91 . 1 1 93 93 ASN N N 15 . 1 1 93 93 ASN H H 1 0.758 0.038 . . . . . . . . . . 52904 1 92 . 1 1 94 94 PHE N N 15 . 1 1 94 94 PHE H H 1 0.813 0.041 . . . . . . . . . . 52904 1 93 . 1 1 96 96 ASN N N 15 . 1 1 96 96 ASN H H 1 0.758 0.038 . . . . . . . . . . 52904 1 94 . 1 1 97 97 TYR N N 15 . 1 1 97 97 TYR H H 1 0.756 0.038 . . . . . . . . . . 52904 1 95 . 1 1 98 98 HIS N N 15 . 1 1 98 98 HIS H H 1 0.821 0.041 . . . . . . . . . . 52904 1 96 . 1 1 99 99 GLN N N 15 . 1 1 99 99 GLN H H 1 0.889 0.044 . . . . . . . . . . 52904 1 97 . 1 1 100 100 THR N N 15 . 1 1 100 100 THR H H 1 0.780 0.039 . . . . . . . . . . 52904 1 98 . 1 1 101 101 SER N N 15 . 1 1 101 101 SER H H 1 0.992 0.050 . . . . . . . . . . 52904 1 99 . 1 1 102 102 GLU N N 15 . 1 1 102 102 GLU H H 1 0.816 0.041 . . . . . . . . . . 52904 1 100 . 1 1 103 103 ILE N N 15 . 1 1 103 103 ILE H H 1 0.714 0.036 . . . . . . . . . . 52904 1 101 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.727 0.036 . . . . . . . . . . 52904 1 102 . 1 1 105 105 GLY N N 15 . 1 1 105 105 GLY H H 1 0.805 0.040 . . . . . . . . . . 52904 1 103 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 0.623 0.031 . . . . . . . . . . 52904 1 104 . 1 1 107 107 LYS N N 15 . 1 1 107 107 LYS H H 1 0.791 0.040 . . . . . . . . . . 52904 1 105 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.777 0.039 . . . . . . . . . . 52904 1 106 . 1 1 109 109 VAL N N 15 . 1 1 109 109 VAL H H 1 0.927 0.046 . . . . . . . . . . 52904 1 107 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.970 0.049 . . . . . . . . . . 52904 1 108 . 1 1 111 111 VAL N N 15 . 1 1 111 111 VAL H H 1 0.714 0.036 . . . . . . . . . . 52904 1 109 . 1 1 112 112 SER N N 15 . 1 1 112 112 SER H H 1 0.933 0.047 . . . . . . . . . . 52904 1 110 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.779 0.039 . . . . . . . . . . 52904 1 111 . 1 1 114 114 ILE N N 15 . 1 1 114 114 ILE H H 1 0.796 0.040 . . . . . . . . . . 52904 1 112 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.715 0.036 . . . . . . . . . . 52904 1 113 . 1 1 116 116 GLY N N 15 . 1 1 116 116 GLY H H 1 0.944 0.047 . . . . . . . . . . 52904 1 114 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.891 0.045 . . . . . . . . . . 52904 1 115 . 1 1 118 118 THR N N 15 . 1 1 118 118 THR H H 1 0.784 0.039 . . . . . . . . . . 52904 1 116 . 1 1 119 119 TYR N N 15 . 1 1 119 119 TYR H H 1 0.932 0.047 . . . . . . . . . . 52904 1 117 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.849 0.042 . . . . . . . . . . 52904 1 118 . 1 1 121 121 ARG N N 15 . 1 1 121 121 ARG H H 1 0.665 0.033 . . . . . . . . . . 52904 1 119 . 1 1 122 122 VAL N N 15 . 1 1 122 122 VAL H H 1 0.919 0.046 . . . . . . . . . . 52904 1 120 . 1 1 123 123 SER N N 15 . 1 1 123 123 SER H H 1 0.840 0.042 . . . . . . . . . . 52904 1 121 . 1 1 124 124 LYS N N 15 . 1 1 124 124 LYS H H 1 0.804 0.040 . . . . . . . . . . 52904 1 122 . 1 1 125 125 ARG N N 15 . 1 1 125 125 ARG H H 1 0.771 0.039 . . . . . . . . . . 52904 1 123 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.812 0.041 . . . . . . . . . . 52904 1 124 . 1 1 127 127 ALA N N 15 . 1 1 127 127 ALA H H 1 0.655 0.033 . . . . . . . . . . 52904 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52904 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'Q51A human I-BABP 15N T1 relaxation' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 'T1/R1 relaxation' . . . 52904 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 52904 1 3 $software_3 . . 52904 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 PHE N N 15 2.31 0.07 . . . . . 52904 1 2 . 1 1 3 3 THR N N 15 1.77 0.05 . . . . . 52904 1 3 . 1 1 4 4 GLY N N 15 1.75 0.05 . . . . . 52904 1 4 . 1 1 5 5 LYS N N 15 1.68 0.05 . . . . . 52904 1 5 . 1 1 6 6 PHE N N 15 1.56 0.05 . . . . . 52904 1 6 . 1 1 7 7 GLU N N 15 1.60 0.05 . . . . . 52904 1 7 . 1 1 8 8 MET N N 15 1.83 0.05 . . . . . 52904 1 8 . 1 1 9 9 GLU N N 15 1.73 0.05 . . . . . 52904 1 9 . 1 1 10 10 SER N N 15 1.64 0.05 . . . . . 52904 1 10 . 1 1 11 11 GLU N N 15 1.66 0.05 . . . . . 52904 1 11 . 1 1 12 12 LYS N N 15 1.49 0.04 . . . . . 52904 1 12 . 1 1 13 13 ASN N N 15 1.49 0.04 . . . . . 52904 1 13 . 1 1 14 14 TYR N N 15 1.66 0.05 . . . . . 52904 1 14 . 1 1 15 15 ASP N N 15 1.62 0.05 . . . . . 52904 1 15 . 1 1 16 16 GLU N N 15 1.46 0.04 . . . . . 52904 1 16 . 1 1 17 17 PHE N N 15 1.63 0.05 . . . . . 52904 1 17 . 1 1 18 18 MET N N 15 1.61 0.05 . . . . . 52904 1 18 . 1 1 19 19 LYS N N 15 1.56 0.05 . . . . . 52904 1 19 . 1 1 20 20 LEU N N 15 1.55 0.05 . . . . . 52904 1 20 . 1 1 21 21 LEU N N 15 1.46 0.04 . . . . . 52904 1 21 . 1 1 22 22 GLY N N 15 1.55 0.05 . . . . . 52904 1 22 . 1 1 23 23 ILE N N 15 1.62 0.05 . . . . . 52904 1 23 . 1 1 24 24 SER N N 15 1.59 0.05 . . . . . 52904 1 24 . 1 1 25 25 SER N N 15 2.23 0.07 . . . . . 52904 1 25 . 1 1 26 26 ASP N N 15 2.03 0.06 . . . . . 52904 1 26 . 1 1 27 27 VAL N N 15 1.61 0.05 . . . . . 52904 1 27 . 1 1 28 28 ILE N N 15 1.70 0.05 . . . . . 52904 1 28 . 1 1 29 29 GLU N N 15 1.64 0.05 . . . . . 52904 1 29 . 1 1 30 30 LYS N N 15 1.60 0.05 . . . . . 52904 1 30 . 1 1 31 31 ALA N N 15 1.60 0.05 . . . . . 52904 1 31 . 1 1 32 32 ARG N N 15 1.77 0.05 . . . . . 52904 1 32 . 1 1 33 33 ASN N N 15 1.93 0.06 . . . . . 52904 1 33 . 1 1 34 34 PHE N N 15 1.86 0.06 . . . . . 52904 1 34 . 1 1 35 35 LYS N N 15 1.56 0.05 . . . . . 52904 1 35 . 1 1 36 36 ILE N N 15 1.58 0.05 . . . . . 52904 1 36 . 1 1 37 37 VAL N N 15 1.67 0.05 . . . . . 52904 1 37 . 1 1 38 38 THR N N 15 1.85 0.06 . . . . . 52904 1 38 . 1 1 39 39 GLU N N 15 1.73 0.05 . . . . . 52904 1 39 . 1 1 40 40 VAL N N 15 1.54 0.05 . . . . . 52904 1 40 . 1 1 41 41 GLN N N 15 1.65 0.05 . . . . . 52904 1 41 . 1 1 42 42 GLN N N 15 1.75 0.05 . . . . . 52904 1 42 . 1 1 43 43 ASP N N 15 1.65 0.05 . . . . . 52904 1 43 . 1 1 44 44 GLY N N 15 2.00 0.06 . . . . . 52904 1 44 . 1 1 45 45 GLN N N 15 1.66 0.05 . . . . . 52904 1 45 . 1 1 46 46 ASP N N 15 1.70 0.05 . . . . . 52904 1 46 . 1 1 47 47 PHE N N 15 1.73 0.05 . . . . . 52904 1 47 . 1 1 48 48 THR N N 15 1.60 0.05 . . . . . 52904 1 48 . 1 1 49 49 TRP N N 15 1.60 0.05 . . . . . 52904 1 49 . 1 1 50 50 SER N N 15 1.67 0.05 . . . . . 52904 1 50 . 1 1 52 52 HIS N N 15 1.64 0.05 . . . . . 52904 1 51 . 1 1 53 53 TYR N N 15 1.53 0.05 . . . . . 52904 1 52 . 1 1 54 54 SER N N 15 1.64 0.05 . . . . . 52904 1 53 . 1 1 55 55 GLY N N 15 2.53 0.08 . . . . . 52904 1 54 . 1 1 56 56 GLY N N 15 1.79 0.05 . . . . . 52904 1 55 . 1 1 57 57 HIS N N 15 1.85 0.06 . . . . . 52904 1 56 . 1 1 58 58 THR N N 15 2.27 0.07 . . . . . 52904 1 57 . 1 1 59 59 MET N N 15 1.74 0.05 . . . . . 52904 1 58 . 1 1 60 60 THR N N 15 1.86 0.06 . . . . . 52904 1 59 . 1 1 61 61 ASN N N 15 1.58 0.05 . . . . . 52904 1 60 . 1 1 62 62 LYS N N 15 1.47 0.04 . . . . . 52904 1 61 . 1 1 63 63 PHE N N 15 1.67 0.05 . . . . . 52904 1 62 . 1 1 64 64 THR N N 15 1.65 0.05 . . . . . 52904 1 63 . 1 1 65 65 VAL N N 15 1.68 0.05 . . . . . 52904 1 64 . 1 1 66 66 GLY N N 15 1.48 0.04 . . . . . 52904 1 65 . 1 1 67 67 LYS N N 15 1.74 0.05 . . . . . 52904 1 66 . 1 1 68 68 GLU N N 15 1.65 0.05 . . . . . 52904 1 67 . 1 1 69 69 SER N N 15 1.82 0.05 . . . . . 52904 1 68 . 1 1 70 70 ASN N N 15 1.79 0.05 . . . . . 52904 1 69 . 1 1 71 71 ILE N N 15 1.53 0.05 . . . . . 52904 1 70 . 1 1 72 72 GLN N N 15 1.58 0.05 . . . . . 52904 1 71 . 1 1 73 73 THR N N 15 1.86 0.06 . . . . . 52904 1 72 . 1 1 74 74 MET N N 15 1.88 0.06 . . . . . 52904 1 73 . 1 1 75 75 GLY N N 15 2.00 0.06 . . . . . 52904 1 74 . 1 1 76 76 GLY N N 15 2.45 0.07 . . . . . 52904 1 75 . 1 1 77 77 LYS N N 15 1.54 0.05 . . . . . 52904 1 76 . 1 1 78 78 THR N N 15 1.82 0.05 . . . . . 52904 1 77 . 1 1 79 79 PHE N N 15 1.59 0.05 . . . . . 52904 1 78 . 1 1 80 80 LYS N N 15 1.53 0.05 . . . . . 52904 1 79 . 1 1 81 81 ALA N N 15 1.60 0.05 . . . . . 52904 1 80 . 1 1 82 82 THR N N 15 1.64 0.05 . . . . . 52904 1 81 . 1 1 83 83 VAL N N 15 1.77 0.05 . . . . . 52904 1 82 . 1 1 84 84 GLN N N 15 1.44 0.04 . . . . . 52904 1 83 . 1 1 85 85 MET N N 15 1.35 0.04 . . . . . 52904 1 84 . 1 1 86 86 GLU N N 15 1.44 0.04 . . . . . 52904 1 85 . 1 1 87 87 GLY N N 15 1.96 0.06 . . . . . 52904 1 86 . 1 1 88 88 GLY N N 15 1.97 0.06 . . . . . 52904 1 87 . 1 1 89 89 LYS N N 15 1.68 0.05 . . . . . 52904 1 88 . 1 1 90 90 LEU N N 15 1.54 0.05 . . . . . 52904 1 89 . 1 1 91 91 VAL N N 15 1.53 0.05 . . . . . 52904 1 90 . 1 1 92 92 VAL N N 15 1.60 0.05 . . . . . 52904 1 91 . 1 1 93 93 ASN N N 15 1.52 0.05 . . . . . 52904 1 92 . 1 1 94 94 PHE N N 15 1.59 0.05 . . . . . 52904 1 93 . 1 1 96 96 ASN N N 15 1.61 0.05 . . . . . 52904 1 94 . 1 1 97 97 TYR N N 15 1.47 0.04 . . . . . 52904 1 95 . 1 1 98 98 HIS N N 15 1.64 0.05 . . . . . 52904 1 96 . 1 1 99 99 GLN N N 15 1.61 0.05 . . . . . 52904 1 97 . 1 1 100 100 THR N N 15 1.77 0.05 . . . . . 52904 1 98 . 1 1 101 101 SER N N 15 1.61 0.05 . . . . . 52904 1 99 . 1 1 102 102 GLU N N 15 1.53 0.05 . . . . . 52904 1 100 . 1 1 103 103 ILE N N 15 1.59 0.05 . . . . . 52904 1 101 . 1 1 104 104 VAL N N 15 1.56 0.05 . . . . . 52904 1 102 . 1 1 105 105 GLY N N 15 2.18 0.07 . . . . . 52904 1 103 . 1 1 106 106 ASP N N 15 1.59 0.05 . . . . . 52904 1 104 . 1 1 107 107 LYS N N 15 1.69 0.05 . . . . . 52904 1 105 . 1 1 108 108 LEU N N 15 1.61 0.05 . . . . . 52904 1 106 . 1 1 109 109 VAL N N 15 1.57 0.05 . . . . . 52904 1 107 . 1 1 110 110 GLU N N 15 1.74 0.05 . . . . . 52904 1 108 . 1 1 111 111 VAL N N 15 1.69 0.05 . . . . . 52904 1 109 . 1 1 112 112 SER N N 15 1.68 0.05 . . . . . 52904 1 110 . 1 1 113 113 THR N N 15 1.67 0.05 . . . . . 52904 1 111 . 1 1 114 114 ILE N N 15 1.78 0.05 . . . . . 52904 1 112 . 1 1 115 115 GLY N N 15 1.91 0.06 . . . . . 52904 1 113 . 1 1 116 116 GLY N N 15 2.20 0.07 . . . . . 52904 1 114 . 1 1 117 117 VAL N N 15 1.61 0.05 . . . . . 52904 1 115 . 1 1 118 118 THR N N 15 1.59 0.05 . . . . . 52904 1 116 . 1 1 119 119 TYR N N 15 1.66 0.05 . . . . . 52904 1 117 . 1 1 120 120 GLU N N 15 1.62 0.05 . . . . . 52904 1 118 . 1 1 121 121 ARG N N 15 1.71 0.05 . . . . . 52904 1 119 . 1 1 122 122 VAL N N 15 1.64 0.05 . . . . . 52904 1 120 . 1 1 123 123 SER N N 15 1.87 0.06 . . . . . 52904 1 121 . 1 1 124 124 LYS N N 15 1.55 0.05 . . . . . 52904 1 122 . 1 1 125 125 ARG N N 15 1.58 0.05 . . . . . 52904 1 123 . 1 1 126 126 LEU N N 15 1.64 0.05 . . . . . 52904 1 124 . 1 1 127 127 ALA N N 15 1.52 0.05 . . . . . 52904 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 52904 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'Q51A human I-BABP 15N T2 relaxation' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 6 'T2/R2 relaxation' . . . 52904 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 52904 1 3 $software_3 . . 52904 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 PHE N N 15 9.70 0.29 . . . . . . . 52904 1 2 . 1 1 3 3 THR N N 15 9.67 0.29 . . . . . . . 52904 1 3 . 1 1 4 4 GLY N N 15 10.18 0.31 . . . . . . . 52904 1 4 . 1 1 5 5 LYS N N 15 10.93 0.33 . . . . . . . 52904 1 5 . 1 1 6 6 PHE N N 15 10.36 0.31 . . . . . . . 52904 1 6 . 1 1 7 7 GLU N N 15 10.37 0.31 . . . . . . . 52904 1 7 . 1 1 8 8 MET N N 15 10.77 0.32 . . . . . . . 52904 1 8 . 1 1 9 9 GLU N N 15 11.38 0.34 . . . . . . . 52904 1 9 . 1 1 10 10 SER N N 15 10.93 0.33 . . . . . . . 52904 1 10 . 1 1 11 11 GLU N N 15 10.81 0.32 . . . . . . . 52904 1 11 . 1 1 12 12 LYS N N 15 10.52 0.32 . . . . . . . 52904 1 12 . 1 1 13 13 ASN N N 15 9.82 0.29 . . . . . . . 52904 1 13 . 1 1 14 14 TYR N N 15 10.81 0.32 . . . . . . . 52904 1 14 . 1 1 15 15 ASP N N 15 10.76 0.32 . . . . . . . 52904 1 15 . 1 1 16 16 GLU N N 15 10.12 0.30 . . . . . . . 52904 1 16 . 1 1 17 17 PHE N N 15 11.05 0.33 . . . . . . . 52904 1 17 . 1 1 18 18 MET N N 15 10.62 0.32 . . . . . . . 52904 1 18 . 1 1 19 19 LYS N N 15 10.53 0.32 . . . . . . . 52904 1 19 . 1 1 20 20 LEU N N 15 10.36 0.31 . . . . . . . 52904 1 20 . 1 1 21 21 LEU N N 15 10.22 0.31 . . . . . . . 52904 1 21 . 1 1 22 22 GLY N N 15 9.90 0.30 . . . . . . . 52904 1 22 . 1 1 23 23 ILE N N 15 9.71 0.29 . . . . . . . 52904 1 23 . 1 1 24 24 SER N N 15 9.60 0.29 . . . . . . . 52904 1 24 . 1 1 25 25 SER N N 15 10.31 0.31 . . . . . . . 52904 1 25 . 1 1 26 26 ASP N N 15 10.97 0.33 . . . . . . . 52904 1 26 . 1 1 27 27 VAL N N 15 10.35 0.31 . . . . . . . 52904 1 27 . 1 1 28 28 ILE N N 15 10.83 0.32 . . . . . . . 52904 1 28 . 1 1 29 29 GLU N N 15 11.70 0.35 . . . . . . . 52904 1 29 . 1 1 30 30 LYS N N 15 10.72 0.32 . . . . . . . 52904 1 30 . 1 1 31 31 ALA N N 15 10.62 0.32 . . . . . . . 52904 1 31 . 1 1 32 32 ARG N N 15 11.70 0.35 . . . . . . . 52904 1 32 . 1 1 33 33 ASN N N 15 11.01 0.33 . . . . . . . 52904 1 33 . 1 1 34 34 PHE N N 15 10.46 0.31 . . . . . . . 52904 1 34 . 1 1 35 35 LYS N N 15 11.56 0.35 . . . . . . . 52904 1 35 . 1 1 36 36 ILE N N 15 15.23 0.46 . . . . . . . 52904 1 36 . 1 1 37 37 VAL N N 15 9.99 0.30 . . . . . . . 52904 1 37 . 1 1 38 38 THR N N 15 10.16 0.30 . . . . . . . 52904 1 38 . 1 1 39 39 GLU N N 15 9.93 0.30 . . . . . . . 52904 1 39 . 1 1 40 40 VAL N N 15 9.85 0.30 . . . . . . . 52904 1 40 . 1 1 41 41 GLN N N 15 10.59 0.32 . . . . . . . 52904 1 41 . 1 1 42 42 GLN N N 15 10.97 0.33 . . . . . . . 52904 1 42 . 1 1 43 43 ASP N N 15 9.98 0.30 . . . . . . . 52904 1 43 . 1 1 44 44 GLY N N 15 9.43 0.28 . . . . . . . 52904 1 44 . 1 1 45 45 GLN N N 15 9.82 0.29 . . . . . . . 52904 1 45 . 1 1 46 46 ASP N N 15 10.83 0.32 . . . . . . . 52904 1 46 . 1 1 47 47 PHE N N 15 10.30 0.31 . . . . . . . 52904 1 47 . 1 1 48 48 THR N N 15 9.86 0.30 . . . . . . . 52904 1 48 . 1 1 49 49 TRP N N 15 10.88 0.33 . . . . . . . 52904 1 49 . 1 1 50 50 SER N N 15 11.02 0.33 . . . . . . . 52904 1 50 . 1 1 52 52 HIS N N 15 9.89 0.30 . . . . . . . 52904 1 51 . 1 1 53 53 TYR N N 15 9.71 0.29 . . . . . . . 52904 1 52 . 1 1 54 54 SER N N 15 10.84 0.33 . . . . . . . 52904 1 53 . 1 1 55 55 GLY N N 15 9.49 0.28 . . . . . . . 52904 1 54 . 1 1 56 56 GLY N N 15 9.96 0.30 . . . . . . . 52904 1 55 . 1 1 57 57 HIS N N 15 10.56 0.32 . . . . . . . 52904 1 56 . 1 1 58 58 THR N N 15 11.03 0.33 . . . . . . . 52904 1 57 . 1 1 59 59 MET N N 15 10.04 0.30 . . . . . . . 52904 1 58 . 1 1 60 60 THR N N 15 9.87 0.30 . . . . . . . 52904 1 59 . 1 1 61 61 ASN N N 15 10.23 0.31 . . . . . . . 52904 1 60 . 1 1 62 62 LYS N N 15 8.92 0.27 . . . . . . . 52904 1 61 . 1 1 63 63 PHE N N 15 10.71 0.32 . . . . . . . 52904 1 62 . 1 1 64 64 THR N N 15 10.07 0.30 . . . . . . . 52904 1 63 . 1 1 65 65 VAL N N 15 10.42 0.31 . . . . . . . 52904 1 64 . 1 1 66 66 GLY N N 15 10.51 0.32 . . . . . . . 52904 1 65 . 1 1 67 67 LYS N N 15 10.49 0.31 . . . . . . . 52904 1 66 . 1 1 68 68 GLU N N 15 9.98 0.30 . . . . . . . 52904 1 67 . 1 1 69 69 SER N N 15 10.07 0.30 . . . . . . . 52904 1 68 . 1 1 70 70 ASN N N 15 9.16 0.27 . . . . . . . 52904 1 69 . 1 1 71 71 ILE N N 15 9.47 0.28 . . . . . . . 52904 1 70 . 1 1 72 72 GLN N N 15 10.21 0.31 . . . . . . . 52904 1 71 . 1 1 73 73 THR N N 15 9.81 0.29 . . . . . . . 52904 1 72 . 1 1 74 74 MET N N 15 10.79 0.32 . . . . . . . 52904 1 73 . 1 1 75 75 GLY N N 15 12.02 0.36 . . . . . . . 52904 1 74 . 1 1 76 76 GLY N N 15 9.91 0.30 . . . . . . . 52904 1 75 . 1 1 77 77 LYS N N 15 8.63 0.26 . . . . . . . 52904 1 76 . 1 1 78 78 THR N N 15 9.88 0.30 . . . . . . . 52904 1 77 . 1 1 79 79 PHE N N 15 10.23 0.31 . . . . . . . 52904 1 78 . 1 1 80 80 LYS N N 15 9.71 0.29 . . . . . . . 52904 1 79 . 1 1 81 81 ALA N N 15 9.42 0.28 . . . . . . . 52904 1 80 . 1 1 82 82 THR N N 15 9.83 0.29 . . . . . . . 52904 1 81 . 1 1 83 83 VAL N N 15 10.49 0.31 . . . . . . . 52904 1 82 . 1 1 84 84 GLN N N 15 10.42 0.31 . . . . . . . 52904 1 83 . 1 1 85 85 MET N N 15 10.04 0.30 . . . . . . . 52904 1 84 . 1 1 86 86 GLU N N 15 9.38 0.28 . . . . . . . 52904 1 85 . 1 1 87 87 GLY N N 15 8.60 0.26 . . . . . . . 52904 1 86 . 1 1 88 88 GLY N N 15 11.56 0.35 . . . . . . . 52904 1 87 . 1 1 89 89 LYS N N 15 10.21 0.31 . . . . . . . 52904 1 88 . 1 1 90 90 LEU N N 15 10.36 0.31 . . . . . . . 52904 1 89 . 1 1 91 91 VAL N N 15 13.56 0.41 . . . . . . . 52904 1 90 . 1 1 92 92 VAL N N 15 10.83 0.33 . . . . . . . 52904 1 91 . 1 1 93 93 ASN N N 15 10.75 0.32 . . . . . . . 52904 1 92 . 1 1 94 94 PHE N N 15 9.92 0.30 . . . . . . . 52904 1 93 . 1 1 96 96 ASN N N 15 15.24 0.46 . . . . . . . 52904 1 94 . 1 1 97 97 TYR N N 15 9.99 0.30 . . . . . . . 52904 1 95 . 1 1 98 98 HIS N N 15 12.07 0.36 . . . . . . . 52904 1 96 . 1 1 99 99 GLN N N 15 11.28 0.34 . . . . . . . 52904 1 97 . 1 1 100 100 THR N N 15 11.88 0.36 . . . . . . . 52904 1 98 . 1 1 101 101 SER N N 15 10.86 0.33 . . . . . . . 52904 1 99 . 1 1 102 102 GLU N N 15 10.03 0.30 . . . . . . . 52904 1 100 . 1 1 103 103 ILE N N 15 10.73 0.32 . . . . . . . 52904 1 101 . 1 1 104 104 VAL N N 15 10.58 0.32 . . . . . . . 52904 1 102 . 1 1 105 105 GLY N N 15 11.37 0.34 . . . . . . . 52904 1 103 . 1 1 106 106 ASP N N 15 20.08 0.60 . . . . . . . 52904 1 104 . 1 1 107 107 LYS N N 15 9.81 0.29 . . . . . . . 52904 1 105 . 1 1 108 108 LEU N N 15 11.06 0.33 . . . . . . . 52904 1 106 . 1 1 109 109 VAL N N 15 11.20 0.34 . . . . . . . 52904 1 107 . 1 1 110 110 GLU N N 15 10.92 0.33 . . . . . . . 52904 1 108 . 1 1 111 111 VAL N N 15 10.57 0.32 . . . . . . . 52904 1 109 . 1 1 112 112 SER N N 15 11.19 0.34 . . . . . . . 52904 1 110 . 1 1 113 113 THR N N 15 11.47 0.34 . . . . . . . 52904 1 111 . 1 1 114 114 ILE N N 15 10.56 0.32 . . . . . . . 52904 1 112 . 1 1 115 115 GLY N N 15 10.61 0.32 . . . . . . . 52904 1 113 . 1 1 116 116 GLY N N 15 10.42 0.31 . . . . . . . 52904 1 114 . 1 1 117 117 VAL N N 15 10.13 0.30 . . . . . . . 52904 1 115 . 1 1 118 118 THR N N 15 10.77 0.32 . . . . . . . 52904 1 116 . 1 1 119 119 TYR N N 15 10.23 0.31 . . . . . . . 52904 1 117 . 1 1 120 120 GLU N N 15 11.05 0.33 . . . . . . . 52904 1 118 . 1 1 121 121 ARG N N 15 10.60 0.32 . . . . . . . 52904 1 119 . 1 1 122 122 VAL N N 15 10.45 0.31 . . . . . . . 52904 1 120 . 1 1 123 123 SER N N 15 10.13 0.30 . . . . . . . 52904 1 121 . 1 1 124 124 LYS N N 15 10.35 0.31 . . . . . . . 52904 1 122 . 1 1 125 125 ARG N N 15 9.97 0.30 . . . . . . . 52904 1 123 . 1 1 126 126 LEU N N 15 9.57 0.29 . . . . . . . 52904 1 124 . 1 1 127 127 ALA N N 15 7.56 0.23 . . . . . . . 52904 1 stop_ save_